| 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 | 62 | Low | 91 | Very high | 226 Ų | 226 | 92 Ų | 92 | 100% | 1.113 | 48% | 0.477 | S | S | * | . | 0 | -41.3 | 0 | -133.1 | 170.9 | -156.5 | 0 | 0 | 110.4 | S3 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.2Å | |||
| 2 | E | 77.7 | Confident | 91.5 | Very high | 145 Ų | 145 | 88.8 Ų | 88.8 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.4 | 175.6 | -67.9 | 169 | 172.3 | 0 | 0 | 114.6 | T4 L5 E6 | E2-T4 PolarHBondContact O-N 3.1Å; E2-L5 PolarHBondContact O-N 3.07Å; E2-E6 HydrophobicContact CB-CG 4.49Å; E2-E6 WeakPolarHBondContact O-CG 3.34Å; E2-E6 PolarHBondContact O-N 3.4Å |
| 3 | S | 87.9 | Confident | 92 | Very high | 86 Ų | 86 | 86.4 Ų | 86.4 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -51.1 | -33.9 | -178 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | M1 Q7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.2Å; S3-Q7 VanDerWaalsContact O-CB 3.3Å; S3-Q7 WeakPolarHBondContact O-CB 3.32Å; S3-Q7 PolarHBondContact O-N 3.43Å |
| 4 | T | 95.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 90.9 Ų | 90.9 | 58% | 0.577 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.8 | -38.7 | 178.4 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | E2 H8 | E2-T4 PolarHBondContact O-N 3.1Å; T4-H8 PolarHBondContact O-N 3.27Å; T4-H8 VanDerWaalsContact O-N 3.1Å; T4-H8 PolarHBondContact O-ND1 3.5Å; T4-H8 VanDerWaalsContact O-ND1 3.11Å |
| 5 | L | 94.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 29% | 0.288 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 176.4 | 175.6 | 60.8 | 0 | 0 | 0 | 109.8 | E2 Q7 H8 L9 C23 L31 | E2-L5 PolarHBondContact O-N 3.07Å; L5-Q7 VanDerWaalsContact C-N 3.27Å; L5-Q7 PolarHBondContact O-N 2.86Å; L5-H8 WeakPolarHBondContact O-CA 3.41Å; L5-H8 WeakPolarHBondContact O-CB 3.48Å; L5-H8 PolarHBondContact O-N 3.25Å; L5-L9 HydrophobicContact CD1-CD2 4.47Å; L5-L9 HydrophobicContact CD1-CG 4.31Å; L5-L9 HydrophobicContact CG-CD1 4.33Å; L5-L9 HydrophobicContact CG-CG 4.44Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.33Å; L5-C23 HydrophobicContact CD1-CB 4.43Å; L5-L31 HydrophobicContact CD2-CB 3.99Å |
| 6 | E | 95.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 91.8 Ų | 91.8 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.5 | -45.5 | 176.2 | -66.7 | -60.4 | 118.7 | 0 | 0 | 111.3 | E2 H8 L9 D10 R34 | E2-E6 HydrophobicContact CB-CG 4.49Å; E2-E6 WeakPolarHBondContact O-CG 3.34Å; E2-E6 PolarHBondContact O-N 3.4Å; E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.22Å; E6-L9 PolarHBondContact O-N 3.48Å; E6-D10 PolarHBondContact O-N 3.25Å; E6-R34 IonicContact OE2-CZ 3.15Å; E6-R34 IonicContact OE2-NH1 2.78Å; E6-R34 PolarHBondContact OE2-NH1 2.81Å; E6-R34 IonicContact OE2-NH2 2.65Å; E6-R34 PolarHBondContact OE2-NH2 2.93Å |
| 7 | Q | 97.5 | Very high | 93 | Very high | 95 Ų | 95 | 88.2 Ų | 88.2 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 175 | -173.4 | 61.8 | 63.9 | 0 | 0 | 112.6 | S3 L5 D10 D11 | S3-Q7 VanDerWaalsContact O-CB 3.3Å; S3-Q7 WeakPolarHBondContact O-CB 3.32Å; S3-Q7 PolarHBondContact O-N 3.43Å; L5-Q7 VanDerWaalsContact C-N 3.27Å; L5-Q7 PolarHBondContact O-N 2.86Å; Q7-D10 PolarHBondContact O-N 3.5Å; Q7-D11 PolarHBondContact NE2-OD1 2.85Å; Q7-D11 WeakPolarHBondContact O-CB 3.42Å; Q7-D11 PolarHBondContact O-N 2.96Å |
| 8 | H | 96.6 | Very high | 93.3 | Very high | 116 Ų | 116 | 83.8 Ų | 83.8 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 176.1 | -89.4 | 64.2 | 0 | 0 | 0 | 112.5 | T4 L5 E6 D11 T12 | T4-H8 PolarHBondContact O-N 3.27Å; T4-H8 VanDerWaalsContact O-N 3.1Å; T4-H8 PolarHBondContact O-ND1 3.5Å; T4-H8 VanDerWaalsContact O-ND1 3.11Å; L5-H8 WeakPolarHBondContact O-CA 3.41Å; L5-H8 WeakPolarHBondContact O-CB 3.48Å; L5-H8 PolarHBondContact O-N 3.25Å; E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.22Å; H8-D11 PolarHBondContact O-N 3.36Å; H8-T12 WeakPolarHBondContact O-CB 3.38Å; H8-T12 PolarHBondContact O-N 3.2Å; H8-T12 PolarHBondContact O-OG1 3.31Å |
| 9 | L | 97.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 81.8 Ų | 81.8 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.3 | -62.7 | 176.4 | 0 | 0 | 0 | 110.4 | L5 E6 T12 M13 V21 C23 G32 R34 | L5-L9 HydrophobicContact CD1-CD2 4.47Å; L5-L9 HydrophobicContact CD1-CG 4.31Å; L5-L9 HydrophobicContact CG-CD1 4.33Å; L5-L9 HydrophobicContact CG-CG 4.44Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.33Å; E6-L9 PolarHBondContact O-N 3.48Å; L9-T12 PolarHBondContact O-N 2.66Å; L9-M13 WeakPolarHBondContact O-CG 3.47Å; L9-M13 PolarHBondContact O-N 3.03Å; L9-M13 VanDerWaalsContact O-N 3.12Å; L9-V21 HydrophobicContact CB-CG1 4.21Å; L9-V21 HydrophobicContact CD2-CB 4.46Å; L9-V21 HydrophobicContact CD2-CG1 3.87Å; L9-V21 HydrophobicContact CD2-CG2 3.76Å; L9-C23 HydrophobicContact CD2-CB 4.42Å; L9-G32 VanDerWaalsContact CD1-C 3.47Å; L9-R34 HydrophobicContact CB-CG 3.96Å |
| 10 | D | 97.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.8 | -69.3 | -31.6 | 0 | 0 | 0 | 111.8 | E6 Q7 T12 M13 K14 R34 | E6-D10 PolarHBondContact O-N 3.25Å; Q7-D10 PolarHBondContact O-N 3.5Å; D10-T12 VanDerWaalsContact C-N 3.33Å; D10-T12 PolarHBondContact O-N 3.19Å; D10-M13 PolarHBondContact O-N 3.27Å; D10-K14 PolarHBondContact O-N 3.04Å; D10-R34 IonicContact OD1-CZ 3.13Å; D10-R34 IonicContact OD1-NE 2.65Å; D10-R34 PolarHBondContact OD1-NE 2.95Å; D10-R34 IonicContact OD1-NH2 2.73Å; D10-R34 PolarHBondContact OD1-NH2 2.97Å; D10-R34 VanDerWaalsContact OD1-NH2 3.13Å; D10-R34 IonicContact OD2-NH2 3.37Å; D10-R34 PolarHBondContact OD2-NH2 2.99Å |
| 11 | D | 98.1 | Very high | 94 | Very high | 68 Ų | 68 | 74.2 Ų | 74.2 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 177 | -72.1 | -19 | 0 | 0 | 0 | 112.2 | Q7 H8 M13 K14 | Q7-D11 PolarHBondContact NE2-OD1 2.85Å; Q7-D11 WeakPolarHBondContact O-CB 3.42Å; Q7-D11 PolarHBondContact O-N 2.96Å; H8-D11 PolarHBondContact O-N 3.36Å; D11-M13 VanDerWaalsContact C-N 3.34Å; D11-K14 WeakPolarHBondContact O-CB 3.43Å; D11-K14 PolarHBondContact O-N 3.49Å; D11-K14 WeakPolarHBondContact OD1-CE 3.29Å; D11-K14 IonicContact OD1-NZ 3.37Å; D11-K14 PolarHBondContact OD1-NZ 3.08Å |
| 12 | T | 97.5 | Very high | 95.7 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | H8 L9 D10 K14 N15 V18 V21 | H8-T12 WeakPolarHBondContact O-CB 3.38Å; H8-T12 PolarHBondContact O-N 3.2Å; H8-T12 PolarHBondContact O-OG1 3.31Å; L9-T12 PolarHBondContact O-N 2.66Å; D10-T12 VanDerWaalsContact C-N 3.33Å; D10-T12 PolarHBondContact O-N 3.19Å; T12-K14 PolarHBondContact O-N 3.4Å; T12-N15 PolarHBondContact O-N 3.23Å; T12-V18 HydrophobicContact CG2-CG1 4.28Å; T12-V21 HydrophobicContact CG2-CB 4.34Å; T12-V21 HydrophobicContact CG2-CG2 4.32Å |
| 13 | M | 97.7 | Very high | 96.7 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.8 | -12 | 176.7 | -70.3 | -66 | -61.9 | 0 | 0 | 113.9 | L9 D10 D11 N15 V18 V21 R34 | L9-M13 WeakPolarHBondContact O-CG 3.47Å; L9-M13 PolarHBondContact O-N 3.03Å; L9-M13 VanDerWaalsContact O-N 3.12Å; D10-M13 PolarHBondContact O-N 3.27Å; D11-M13 VanDerWaalsContact C-N 3.34Å; M13-N15 PolarHBondContact O-N 3.06Å; M13-V18 HydrophobicContact SD-CG1 4.06Å; M13-V21 HydrophobicContact CG-CG1 4.02Å; M13-V21 HydrophobicContact SD-CG1 4.12Å; M13-R34 HydrophobicContact CE-CB 4.47Å; M13-R34 HydrophobicContact CG-CB 3.54Å; M13-R34 HydrophobicContact CG-CG 4.05Å; M13-R34 HydrophobicContact SD-CB 3.9Å |
| 14 | K | 97.6 | Very high | 97.1 | Very high | 149 Ų | 149 | 52.6 Ų | 52.6 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.7 | 172.8 | -66.1 | 173.8 | -177.2 | 165.8 | 0 | 112.6 | D10 D11 T12 | D10-K14 PolarHBondContact O-N 3.04Å; D11-K14 WeakPolarHBondContact O-CB 3.43Å; D11-K14 PolarHBondContact O-N 3.49Å; D11-K14 WeakPolarHBondContact OD1-CE 3.29Å; D11-K14 IonicContact OD1-NZ 3.37Å; D11-K14 PolarHBondContact OD1-NZ 3.08Å; T12-K14 PolarHBondContact O-N 3.4Å |
| 15 | N | 96.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 40% | 0.401 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -72.4 | 120.7 | 173.7 | -173.8 | -40.6 | 0 | 0 | 0 | 109.5 | T12 M13 A17 V18 | T12-N15 PolarHBondContact O-N 3.23Å; M13-N15 PolarHBondContact O-N 3.06Å; N15-A17 PolarHBondContact O-N 3.14Å; N15-A17 VanDerWaalsContact O-N 3.1Å; N15-A17 WeakPolarHBondContact OD1-CB 3.49Å; N15-A17 PolarHBondContact OD1-N 3.15Å; N15-V18 HydrophobicContact CB-CB 4.22Å; N15-V18 HydrophobicContact CB-CG2 3.83Å; N15-V18 PolarHBondContact O-N 3.08Å |
| 16 | P | 95.1 | Very high | 97.1 | Very high | 122 Ų | 122 | 53.6 Ų | 53.6 | 79% | 0.792 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.7 | -174.3 | 26.3 | -35.6 | 0 | 0 | 0 | 114 | V18 | P16-V18 VanDerWaalsContact C-N 3.35Š|
| 17 | A | 96 | Very high | 97 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N15 K88 I89 | N15-A17 PolarHBondContact O-N 3.14Å; N15-A17 VanDerWaalsContact O-N 3.1Å; N15-A17 WeakPolarHBondContact OD1-CB 3.49Å; N15-A17 PolarHBondContact OD1-N 3.15Å; A17-K88 CarbonylContact O-C 3.54Å; A17-K88 WeakPolarHBondContact O-CA 3.3Å; A17-I89 PolarHBondContact O-N 2.65Å |
| 18 | V | 97.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.2 | -179.4 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | T12 M13 N15 P16 V86 K88 | T12-V18 HydrophobicContact CG2-CG1 4.28Å; M13-V18 HydrophobicContact SD-CG1 4.06Å; N15-V18 HydrophobicContact CB-CB 4.22Å; N15-V18 HydrophobicContact CB-CG2 3.83Å; N15-V18 PolarHBondContact O-N 3.08Å; P16-V18 VanDerWaalsContact C-N 3.35Å; V18-V86 HydrophobicContact CG1-CG1 3.83Å; V18-V86 HydrophobicContact CG2-CG1 4.03Å; V18-K88 HydrophobicContact CG2-CG 3.98Å |
| 19 | V | 97.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -3.2 | -179.8 | -69.3 | 0 | 0 | 0 | 0 | 113.1 | G35 S36 H87 I89 | V19-G35 WeakPolarHBondContact O-CA 3.29Å; V19-S36 VanDerWaalsContact C-OG 3.31Å; V19-S36 PolarHBondContact O-N 3Å; V19-S36 PolarHBondContact O-OG 3.39Å; V19-H87 HydrophobicContact CG2-CB 4.16Å; V19-H87 WeakPolarHBondContact CG2-O 3.38Å; V19-H87 PolarHBondContact N-O 2.97Å; V19-I89 HydrophobicContact CG1-CD1 3.48Å; V19-I89 VanDerWaalsContact CG1-CD1 3.48Å; V19-I89 HydrophobicContact CG1-CG1 3.57Å; V19-I89 HydrophobicContact CG2-CG1 4.14Å |
| 20 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 149.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R34 S36 H87 | G20-R34 WeakPolarHBondContact CA-O 3.45Å; G20-S36 WeakPolarHBondContact CA-OG 3.49Å; G20-H87 PolarHBondContact N-O 3.1Å; G20-H87 PolarHBondContact O-N 3.4Å |
| 21 | V | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142 | 173 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | L9 T12 M13 C33 R34 I84 A85 V86 | L9-V21 HydrophobicContact CB-CG1 4.21Å; L9-V21 HydrophobicContact CD2-CB 4.46Å; L9-V21 HydrophobicContact CD2-CG1 3.87Å; L9-V21 HydrophobicContact CD2-CG2 3.76Å; T12-V21 HydrophobicContact CG2-CB 4.34Å; T12-V21 HydrophobicContact CG2-CG2 4.32Å; M13-V21 HydrophobicContact CG-CG1 4.02Å; M13-V21 HydrophobicContact SD-CG1 4.12Å; V21-C33 CarbonylContact O-C 3.49Å; V21-C33 VanDerWaalsContact O-CA 3.25Å; V21-C33 WeakPolarHBondContact O-CA 3.46Å; V21-R34 HydrophobicContact CG1-CB 3.88Å; V21-R34 HydrophobicContact CG1-CG 4.29Å; V21-R34 PolarHBondContact N-O 2.8Å; V21-R34 PolarHBondContact O-N 2.89Å; V21-I84 HydrophobicContact CG2-CG2 4.38Å; V21-A85 CarbonylContact C-O 3.58Å; V21-A85 VanDerWaalsContact CA-O 3.31Å; V21-A85 WeakPolarHBondContact CA-O 3.21Å; V21-V86 HydrophobicContact CG2-CG2 4.32Å |
| 22 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 136.7 | 176.2 | 169.3 | 67.8 | 0 | 0 | 0 | 109.4 | S30 C33 L37 H41 V45 I84 A85 | L22-S30 WeakPolarHBondContact CD1-OG 3.42Å; L22-C33 HydrophobicContact CB-CB 4.34Å; L22-C33 HydrophobicContact CD1-CB 3.63Å; L22-L37 HydrophobicContact CB-CB 3.82Å; L22-L37 HydrophobicContact CB-CD1 3.96Å; L22-H41 HydrophobicContact CD2-CB 3.77Å; L22-V45 HydrophobicContact CD2-CG2 4.2Å; L22-I84 CarbonylContact O-C 3.51Å; L22-I84 WeakPolarHBondContact O-CA 3.35Å; L22-A85 HydrophobicContact CB-CB 4.38Å; L22-A85 PolarHBondContact N-O 2.85Å; L22-A85 PolarHBondContact O-N 3.47Å |
| 23 | C | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.5 | 173.5 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | L5 L9 L31 G32 I82 | L5-C23 HydrophobicContact CD1-CB 4.43Å; L9-C23 HydrophobicContact CD2-CB 4.42Å; C23-L31 HydrophobicContact CB-CB 4.36Å; C23-L31 PolarHBondContact O-N 3.15Å; C23-G32 PolarHBondContact N-O 2.85Å; C23-G32 PolarHBondContact O-N 3.31Å; C23-I82 WeakPolarHBondContact SG-CG2 3.41Å |
| 24 | T | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.6 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | G28 H29 V45 I82 T83 | T24-G28 WeakPolarHBondContact OG1-CA 3.35Å; T24-G28 PolarHBondContact OG1-O 3.05Å; T24-H29 WeakPolarHBondContact CA-O 3.06Å; T24-H29 WeakPolarHBondContact CB-O 3.31Å; T24-H29 PolarHBondContact OG1-N 3.31Å; T24-H29 PolarHBondContact OG1-O 3.44Å; T24-V45 HydrophobicContact CG2-CG1 4.08Å; T24-I82 CarbonylContact O-C 3.55Å; T24-I82 WeakPolarHBondContact O-CA 3.5Å; T24-T83 PolarHBondContact N-O 3.46Å; T24-T83 PolarHBondContact O-N 3.32Å |
| 25 | D | 96.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -177.2 | 172.2 | 78.6 | -3.1 | 0 | 0 | 0 | 112.5 | Q27 G28 H29 L31 | D25-Q27 PolarHBondContact O-N 3.25Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.45Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.21Å; D25-Q27 PolarHBondContact OD1-N 2.85Å; D25-Q27 PolarHBondContact OD2-NE2 3.37Å; D25-G28 PolarHBondContact O-N 2.88Å; D25-G28 PolarHBondContact OD1-N 3.35Å; D25-H29 PolarHBondContact N-O 3.26Å; D25-H29 IonicContact OD1-CD2 3.89Å; D25-H29 PolarHBondContact OD1-N 2.78Å; D25-H29 IonicContact OD2-CD2 3.54Å; D25-L31 HydrophobicContact CB-CD1 4.43Å; D25-L31 HydrophobicContact CB-CD2 4.42Å |
| 26 | Q | 93.4 | Very high | 96.7 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.4 | 178.4 | -63.7 | -175.5 | -7.2 | 0 | 0 | 114.3 | S81 | Q26-S81 WeakPolarHBondContact CG-O 3.49Å; Q26-S81 PolarHBondContact N-O 2.97Å |
| 27 | Q | 94.6 | Very high | 96.8 | Very high | 149 Ų | 149 | 41.1 Ų | 41.1 | 70% | 0.696 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7 | 179.7 | -63.1 | 173.7 | 102.8 | 0 | 0 | 111.8 | D25 | D25-Q27 PolarHBondContact O-N 3.25Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.45Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.21Å; D25-Q27 PolarHBondContact OD1-N 2.85Å; D25-Q27 PolarHBondContact OD2-NE2 3.37Å |
| 28 | G | 95.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | 85.9 | 14.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T24 D25 G42 G43 S46 | T24-G28 WeakPolarHBondContact OG1-CA 3.35Å; T24-G28 PolarHBondContact OG1-O 3.05Å; D25-G28 PolarHBondContact O-N 2.88Å; D25-G28 PolarHBondContact OD1-N 3.35Å; G28-G42 WeakPolarHBondContact CA-O 3.38Å; G28-G42 CarbonylContact O-C 3.52Å; G28-G42 VanDerWaalsContact O-C 3.26Å; G28-G42 WeakPolarHBondContact O-CA 3.28Å; G28-G43 PolarHBondContact O-N 3.02Å; G28-S46 WeakPolarHBondContact CA-OG 3.35Å | ||
| 29 | H | 96.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 45.8 Ų | 45.8 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | trans | -77.8 | 128.6 | 171.3 | -61.5 | -53.1 | 0 | 0 | 0 | 109.6 | T24 D25 L31 | T24-H29 WeakPolarHBondContact CA-O 3.06Å; T24-H29 WeakPolarHBondContact CB-O 3.31Å; T24-H29 PolarHBondContact OG1-N 3.31Å; T24-H29 PolarHBondContact OG1-O 3.44Å; D25-H29 PolarHBondContact N-O 3.26Å; D25-H29 IonicContact OD1-CD2 3.89Å; D25-H29 PolarHBondContact OD1-N 2.78Å; D25-H29 IonicContact OD2-CD2 3.54Å; H29-L31 PolarHBondContact O-N 2.88Å | ||
| 30 | S | 95.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 128.9 | 176 | -175.2 | 0 | 0 | 0 | 0 | 110 | L22 G32 D39 | L22-S30 WeakPolarHBondContact CD1-OG 3.42Å; S30-G32 PolarHBondContact OG-N 3.5Å; S30-D39 WeakPolarHBondContact CB-OD1 3.39Å; S30-D39 PolarHBondContact OG-OD1 3.04Å |
| 31 | L | 96.2 | Very high | 96.7 | Very high | 69 Ų | 69 | 54 Ų | 54 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -15 | 171.6 | -59.4 | 177.5 | 0 | 0 | 0 | 111.4 | L5 C23 D25 H29 I82 | L5-L31 HydrophobicContact CD2-CB 3.99Å; C23-L31 HydrophobicContact CB-CB 4.36Å; C23-L31 PolarHBondContact O-N 3.15Å; D25-L31 HydrophobicContact CB-CD1 4.43Å; D25-L31 HydrophobicContact CB-CD2 4.42Å; H29-L31 PolarHBondContact O-N 2.88Å; L31-I82 HydrophobicContact CD1-CG1 4.23Å |
| 32 | G | 96.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | 143.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L9 C23 S30 | L9-G32 VanDerWaalsContact CD1-C 3.47Å; C23-G32 PolarHBondContact N-O 2.85Å; C23-G32 PolarHBondContact O-N 3.31Å; S30-G32 PolarHBondContact OG-N 3.5Å |
| 33 | C | 97.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 160.7 | -178.4 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | V21 L22 L37 | V21-C33 CarbonylContact O-C 3.49Å; V21-C33 VanDerWaalsContact O-CA 3.25Å; V21-C33 WeakPolarHBondContact O-CA 3.46Å; L22-C33 HydrophobicContact CB-CB 4.34Å; L22-C33 HydrophobicContact CD1-CB 3.63Å; C33-L37 WeakPolarHBondContact CB-O 3.48Å |
| 34 | R | 98 | Very high | 96.6 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.3 | 173 | -64.7 | -64.7 | -173.7 | -85.7 | -2.4 | 111.4 | E6 L9 D10 M13 G20 V21 | E6-R34 IonicContact OE2-CZ 3.15Å; E6-R34 IonicContact OE2-NH1 2.78Å; E6-R34 PolarHBondContact OE2-NH1 2.81Å; E6-R34 IonicContact OE2-NH2 2.65Å; E6-R34 PolarHBondContact OE2-NH2 2.93Å; L9-R34 HydrophobicContact CB-CG 3.96Å; D10-R34 IonicContact OD1-CZ 3.13Å; D10-R34 IonicContact OD1-NE 2.65Å; D10-R34 PolarHBondContact OD1-NE 2.95Å; D10-R34 IonicContact OD1-NH2 2.73Å; D10-R34 PolarHBondContact OD1-NH2 2.97Å; D10-R34 VanDerWaalsContact OD1-NH2 3.13Å; D10-R34 IonicContact OD2-NH2 3.37Å; D10-R34 PolarHBondContact OD2-NH2 2.99Å; M13-R34 HydrophobicContact CE-CB 4.47Å; M13-R34 HydrophobicContact CG-CB 3.54Å; M13-R34 HydrophobicContact CG-CG 4.05Å; M13-R34 HydrophobicContact SD-CB 3.9Å; G20-R34 WeakPolarHBondContact CA-O 3.45Å; V21-R34 HydrophobicContact CG1-CB 3.88Å; V21-R34 HydrophobicContact CG1-CG 4.29Å; V21-R34 PolarHBondContact N-O 2.8Å; V21-R34 PolarHBondContact O-N 2.89Å |
| 35 | G | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 62% | 0.619 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68.4 | -132.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V19 L37 | V19-G35 WeakPolarHBondContact O-CA 3.29Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 3.37Å |
| 36 | S | 97.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.2 | -174.9 | 53 | 0 | 0 | 0 | 0 | 115.4 | V19 G20 H87 | V19-S36 VanDerWaalsContact C-OG 3.31Å; V19-S36 PolarHBondContact O-N 3Å; V19-S36 PolarHBondContact O-OG 3.39Å; G20-S36 WeakPolarHBondContact CA-OG 3.49Å; S36-H87 PolarHBondContact OG-ND1 3.11Å |
| 37 | L | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | trans | -104 | 123.9 | 174.6 | -60.7 | 175.8 | 0 | 0 | 0 | 109.3 | L22 C33 G35 I74 A85 H87 | L22-L37 HydrophobicContact CB-CB 3.82Å; L22-L37 HydrophobicContact CB-CD1 3.96Å; C33-L37 WeakPolarHBondContact CB-O 3.48Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 3.37Å; L37-I74 HydrophobicContact CD2-CD1 4.41Å; L37-A85 HydrophobicContact CD1-CB 3.78Å; L37-H87 HydrophobicContact CD1-CB 4.26Å; L37-H87 HydrophobicContact CG-CB 4.25Å | ||
| 38 | S | 97.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -110.2 | 170.2 | 177 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | E40 H41 | S38-E40 PolarHBondContact O-N 3.11Å; S38-E40 VanDerWaalsContact O-N 3.15Å; S38-E40 VanDerWaalsContact OG-CG 3.31Å; S38-E40 WeakPolarHBondContact OG-CG 3.49Å; S38-E40 PolarHBondContact OG-OE1 3.14Å; S38-H41 PolarHBondContact N-ND1 2.7Å; S38-H41 VanDerWaalsContact N-ND1 3.14Å; S38-H41 WeakPolarHBondContact O-CB 3.34Å; S38-H41 PolarHBondContact O-N 2.96Å; S38-H41 VanDerWaalsContact O-N 3.08Å; S38-H41 PolarHBondContact O-ND1 3.28Å; S38-H41 VanDerWaalsContact O-ND1 3.11Å; S38-H41 PolarHBondContact OG-CE1 2.8Å; S38-H41 PolarHBondContact OG-ND1 3.49Å | ||
| 39 | D | 96.3 | Very high | 97 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.9 | -177.7 | -59.9 | -44.5 | 0 | 0 | 0 | 114.4 | S30 H41 G42 | S30-D39 WeakPolarHBondContact CB-OD1 3.39Å; S30-D39 PolarHBondContact OG-OD1 3.04Å; D39-H41 PolarHBondContact O-N 2.87Å; D39-H41 VanDerWaalsContact O-N 3.15Å; D39-G42 PolarHBondContact O-N 2.87Å; D39-G42 VanDerWaalsContact O-N 3.14Å |
| 40 | E | 96.8 | Very high | 96.8 | Very high | 158 Ų | 158 | 52.1 Ų | 52.1 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -62 | -22.9 | 179 | 76.2 | -160.2 | 104.6 | 0 | 0 | 112.8 | S38 G42 | S38-E40 PolarHBondContact O-N 3.11Å; S38-E40 VanDerWaalsContact O-N 3.15Å; S38-E40 VanDerWaalsContact OG-CG 3.31Å; S38-E40 WeakPolarHBondContact OG-CG 3.49Å; S38-E40 PolarHBondContact OG-OE1 3.14Å; E40-G42 VanDerWaalsContact C-N 3.35Å |
| 41 | H | 97.3 | Very high | 96.8 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -82.9 | -10 | -178.9 | -55.2 | 101.5 | 0 | 0 | 0 | 113.2 | L22 S38 D39 G43 V44 V45 | L22-H41 HydrophobicContact CD2-CB 3.77Å; S38-H41 PolarHBondContact N-ND1 2.7Å; S38-H41 VanDerWaalsContact N-ND1 3.14Å; S38-H41 WeakPolarHBondContact O-CB 3.34Å; S38-H41 PolarHBondContact O-N 2.96Å; S38-H41 VanDerWaalsContact O-N 3.08Å; S38-H41 PolarHBondContact O-ND1 3.28Å; S38-H41 VanDerWaalsContact O-ND1 3.11Å; S38-H41 PolarHBondContact OG-CE1 2.8Å; S38-H41 PolarHBondContact OG-ND1 3.49Å; D39-H41 PolarHBondContact O-N 2.87Å; D39-H41 VanDerWaalsContact O-N 3.15Å; H41-G43 VanDerWaalsContact C-N 3.32Å; H41-G43 PolarHBondContact O-N 2.82Å; H41-V44 HydrophobicContact CB-CG1 4.35Å; H41-V44 WeakPolarHBondContact O-CG1 3.4Å; H41-V44 PolarHBondContact O-N 2.82Å; H41-V45 WeakPolarHBondContact O-CB 3.23Å; H41-V45 WeakPolarHBondContact O-CG2 3.46Å; H41-V45 PolarHBondContact O-N 2.67Å |
| 42 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G28 D39 E40 V45 S46 | G28-G42 WeakPolarHBondContact CA-O 3.38Å; G28-G42 CarbonylContact O-C 3.52Å; G28-G42 VanDerWaalsContact O-C 3.26Å; G28-G42 WeakPolarHBondContact O-CA 3.28Å; D39-G42 PolarHBondContact O-N 2.87Å; D39-G42 VanDerWaalsContact O-N 3.14Å; E40-G42 VanDerWaalsContact C-N 3.35Å; G42-V45 PolarHBondContact O-N 3.43Å; G42-S46 WeakPolarHBondContact O-CB 3.34Å; G42-S46 PolarHBondContact O-N 3.41Å; G42-S46 PolarHBondContact O-OG 2.82Å |
| 43 | G | 97.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G28 H41 S46 V47 | G28-G43 PolarHBondContact O-N 3.02Å; H41-G43 VanDerWaalsContact C-N 3.32Å; H41-G43 PolarHBondContact O-N 2.82Å; G43-S46 PolarHBondContact O-OG 3.28Å; G43-S46 VanDerWaalsContact O-OG 3.08Å; G43-V47 VanDerWaalsContact O-CG2 3.26Å; G43-V47 WeakPolarHBondContact O-CG2 3.21Å; G43-V47 PolarHBondContact O-N 3.27Å |
| 44 | V | 97.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | -179.1 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | H41 V47 L48 | H41-V44 HydrophobicContact CB-CG1 4.35Å; H41-V44 WeakPolarHBondContact O-CG1 3.4Å; H41-V44 PolarHBondContact O-N 2.82Å; V44-V47 PolarHBondContact O-N 2.59Å; V44-L48 HydrophobicContact CG2-CD1 4.13Å; V44-L48 HydrophobicContact CG2-CG 4.33Å; V44-L48 WeakPolarHBondContact O-CB 3.04Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3Å |
| 45 | V | 97 | Very high | 96.2 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.7 | 164.5 | 0 | 0 | 0 | 0 | 111.3 | L22 T24 H41 G42 A49 V76 T83 A85 | L22-V45 HydrophobicContact CD2-CG2 4.2Å; T24-V45 HydrophobicContact CG2-CG1 4.08Å; H41-V45 WeakPolarHBondContact O-CB 3.23Å; H41-V45 WeakPolarHBondContact O-CG2 3.46Å; H41-V45 PolarHBondContact O-N 2.67Å; G42-V45 PolarHBondContact O-N 3.43Å; V45-A49 PolarHBondContact O-N 2.83Å; V45-V76 HydrophobicContact CG1-CG1 3.76Å; V45-V76 HydrophobicContact CG1-CG2 4.33Å; V45-V76 HydrophobicContact CG2-CG2 4.37Å; V45-V76 WeakPolarHBondContact O-CG1 3.35Å; V45-T83 HydrophobicContact CG1-CG2 3.67Å; V45-A85 HydrophobicContact CB-CB 4.44Å; V45-A85 HydrophobicContact CG1-CB 3.75Å; V45-A85 HydrophobicContact CG2-CB 3.75Å |
| 46 | S | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 62 Ų | 62 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | G28 G42 G43 A49 K50 | G28-S46 WeakPolarHBondContact CA-OG 3.35Å; G42-S46 WeakPolarHBondContact O-CB 3.34Å; G42-S46 PolarHBondContact O-N 3.41Å; G42-S46 PolarHBondContact O-OG 2.82Å; G43-S46 PolarHBondContact O-OG 3.28Å; G43-S46 VanDerWaalsContact O-OG 3.08Å; S46-A49 PolarHBondContact O-N 2.81Å; S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 2.83Å |
| 47 | V | 97.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | G43 V44 A49 K50 Q51 | G43-V47 VanDerWaalsContact O-CG2 3.26Å; G43-V47 WeakPolarHBondContact O-CG2 3.21Å; G43-V47 PolarHBondContact O-N 3.27Å; V44-V47 PolarHBondContact O-N 2.59Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.13Å; V47-K50 PolarHBondContact O-N 3.23Å; V47-Q51 HydrophobicContact CG1-CG 4.15Å; V47-Q51 WeakPolarHBondContact O-CB 3.43Å; V47-Q51 VanDerWaalsContact O-CG 3.32Å; V47-Q51 WeakPolarHBondContact O-CG 3.27Å; V47-Q51 PolarHBondContact O-N 2.86Å |
| 48 | L | 97.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | 177.4 | -76.5 | 171.9 | 0 | 0 | 0 | 111.5 | V44 K50 Q51 A52 L67 | V44-L48 HydrophobicContact CG2-CD1 4.13Å; V44-L48 HydrophobicContact CG2-CG 4.33Å; V44-L48 WeakPolarHBondContact O-CB 3.04Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3Å; L48-K50 PolarHBondContact O-N 2.96Å; L48-Q51 PolarHBondContact O-N 3.33Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 2.78Å; L48-L67 HydrophobicContact CD1-CD1 3.95Å |
| 49 | A | 96.1 | Very high | 94 | Very high | 4 Ų | 4 | 77.6 Ų | 77.6 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V45 S46 V47 A52 A53 V76 S78 T83 | V45-A49 PolarHBondContact O-N 2.83Å; S46-A49 PolarHBondContact O-N 2.81Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.13Å; A49-A52 PolarHBondContact O-N 2.89Å; A49-A53 PolarHBondContact O-N 3.02Å; A49-V76 HydrophobicContact CB-CG1 3.98Å; A49-S78 WeakPolarHBondContact CB-OG 3.49Å; A49-T83 HydrophobicContact CB-CG2 3.61Å |
| 50 | K | 94 | Very high | 93.2 | Very high | 161 Ų | 161 | 78.4 Ų | 78.4 | 70% | 0.7 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 176.8 | -175.6 | 175.9 | -179.1 | 176.3 | 0 | 112.4 | S46 V47 L48 A53 A54 | S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 2.83Å; V47-K50 PolarHBondContact O-N 3.23Å; L48-K50 PolarHBondContact O-N 2.96Å; K50-A53 PolarHBondContact O-N 2.86Å; K50-A54 PolarHBondContact O-N 2.9Å |
| 51 | Q | 94.8 | Very high | 92.7 | Very high | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 177.1 | -74.8 | 178.4 | -22.7 | 0 | 0 | 111.5 | V47 L48 A54 | V47-Q51 HydrophobicContact CG1-CG 4.15Å; V47-Q51 WeakPolarHBondContact O-CB 3.43Å; V47-Q51 VanDerWaalsContact O-CG 3.32Å; V47-Q51 WeakPolarHBondContact O-CG 3.27Å; V47-Q51 PolarHBondContact O-N 2.86Å; L48-Q51 PolarHBondContact O-N 3.33Å; Q51-A54 WeakPolarHBondContact O-CB 3.2Å; Q51-A54 PolarHBondContact O-N 2.85Å |
| 52 | A | 95.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L48 A49 A54 L55 P63 V65 | L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 2.78Å; A49-A52 PolarHBondContact O-N 2.89Å; A52-A54 PolarHBondContact O-N 2.86Å; A52-L55 WeakPolarHBondContact O-CB 3.31Å; A52-L55 PolarHBondContact O-N 2.83Å; A52-L55 VanDerWaalsContact O-N 3.1Å; A52-P63 HydrophobicContact CB-CG 3.71Å; A52-V65 HydrophobicContact CB-CG2 3.31Å |
| 53 | A | 93.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 75.1 Ų | 75.1 | 33% | 0.331 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A49 K50 L55 L56 | A49-A53 PolarHBondContact O-N 3.02Å; K50-A53 PolarHBondContact O-N 2.86Å; A53-L55 PolarHBondContact O-N 2.88Å; A53-L56 PolarHBondContact O-N 3.44Å; A53-L56 VanDerWaalsContact O-N 3.07Å |
| 54 | A | 92.7 | Very high | 92.1 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 69% | 0.694 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K50 Q51 A52 L56 | K50-A54 PolarHBondContact O-N 2.9Å; Q51-A54 WeakPolarHBondContact O-CB 3.2Å; Q51-A54 PolarHBondContact O-N 2.85Å; A52-A54 PolarHBondContact O-N 2.86Å; A54-L56 VanDerWaalsContact C-N 3.31Å |
| 55 | L | 94.3 | Very high | 92.1 | Very high | 149 Ų | 149 | 74.1 Ų | 74.1 | 78% | 0.78 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.8 | 173.2 | -58.8 | 176 | 0 | 0 | 0 | 112.4 | A52 A53 | A52-L55 WeakPolarHBondContact O-CB 3.31Å; A52-L55 PolarHBondContact O-N 2.83Å; A52-L55 VanDerWaalsContact O-N 3.1Å; A53-L55 PolarHBondContact O-N 2.88Å |
| 56 | L | 91.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 76.9 Ų | 76.9 | 32% | 0.319 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -93.8 | 145.4 | -178.1 | -55.9 | -175.6 | 0 | 0 | 0 | 110.8 | A53 A54 D61 P63 | A53-L56 PolarHBondContact O-N 3.44Å; A53-L56 VanDerWaalsContact O-N 3.07Å; A54-L56 VanDerWaalsContact C-N 3.31Å; L56-D61 HydrophobicContact CD1-CB 3.65Å; L56-D61 WeakPolarHBondContact CD1-OD2 3.36Å; L56-P63 HydrophobicContact CD1-CB 4.03Å; L56-P63 HydrophobicContact CD1-CG 3.79Å; L56-P63 HydrophobicContact CG-CG 4.33Å |
| 57 | K | 86.8 | Confident | 92.2 | Very high | 220 Ų | 220 | 80.1 Ų | 80.1 | 96% | 0.957 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -77.8 | -29.5 | 177.1 | -66.4 | -178.4 | -179.1 | 176.7 | 0 | 112.3 | ||
| 58 | D | 88.1 | Confident | 92.2 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | trans | -91 | 115 | 179.1 | -170.5 | -24.1 | 0 | 0 | 0 | 109.3 | T60 D61 | D58-T60 VanDerWaalsContact CG-OG1 3.26Å; D58-T60 PolarHBondContact O-N 3.35Å; D58-T60 WeakPolarHBondContact OD1-CB 3.35Å; D58-T60 PolarHBondContact OD1-N 2.73Å; D58-T60 PolarHBondContact OD1-OG1 2.9Å; D58-T60 PolarHBondContact OD2-OG1 3.2Å; D58-D61 HydrophobicContact CB-CB 4.24Å; D58-D61 PolarHBondContact O-N 2.96Å | ||
| 59 | P | 76.6 | Confident | 92 | Very high | 126 Ų | 126 | 84.6 Ų | 84.6 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.8 | -179.6 | 30.8 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 60 | T | 81.2 | Confident | 91.9 | Very high | 118 Ų | 118 | 93 Ų | 93 | 72% | 0.724 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.8 | 175.6 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | D58 | D58-T60 VanDerWaalsContact CG-OG1 3.26Å; D58-T60 PolarHBondContact O-N 3.35Å; D58-T60 WeakPolarHBondContact OD1-CB 3.35Å; D58-T60 PolarHBondContact OD1-N 2.73Å; D58-T60 PolarHBondContact OD1-OG1 2.9Å; D58-T60 PolarHBondContact OD2-OG1 3.2Å |
| 61 | D | 85.2 | Confident | 91.7 | Very high | 85 Ų | 85 | 89.3 Ų | 89.3 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | trans | -82 | 128.8 | 178 | -162.5 | 6 | 0 | 0 | 0 | 110.4 | L56 D58 | L56-D61 HydrophobicContact CD1-CB 3.65Å; L56-D61 WeakPolarHBondContact CD1-OD2 3.36Å; D58-D61 HydrophobicContact CB-CB 4.24Å; D58-D61 PolarHBondContact O-N 2.96Å | ||
| 62 | S | 87.9 | Confident | 91.7 | Very high | 32 Ų | 32 | 83.6 Ų | 83.6 | 22% | 0.224 | 48% | 0.484 | C | S | . | . | trans | -117.9 | 96.6 | -177.1 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | R77 S78 | S62-R77 PolarHBondContact O-NE 2.9Å; S62-R77 PolarHBondContact O-NH2 2.65Å; S62-S78 VanDerWaalsContact CB-O 3.23Å; S62-S78 WeakPolarHBondContact CB-O 3.25Å; S62-S78 PolarHBondContact OG-O 3.37Å | ||
| 63 | P | 95.2 | Very high | 91.8 | Very high | 32 Ų | 32 | 84.4 Ų | 84.4 | 21% | 0.208 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 154.5 | -176.2 | 28 | -29.8 | 0 | 0 | 0 | 110.4 | A52 L56 | A52-P63 HydrophobicContact CB-CG 3.71Å; L56-P63 HydrophobicContact CD1-CB 4.03Å; L56-P63 HydrophobicContact CD1-CG 3.79Å; L56-P63 HydrophobicContact CG-CG 4.33Å |
| 64 | T | 96.7 | Very high | 92 | Very high | 69 Ų | 69 | 84.5 Ų | 84.5 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 121.8 | 168.4 | -56.1 | 0 | 0 | 0 | 0 | 108.6 | L75 V76 R77 | T64-L75 HydrophobicContact CG2-CB 4.4Å; T64-L75 HydrophobicContact CG2-CD2 4.16Å; T64-V76 CarbonylContact C-O 3.57Å; T64-V76 WeakPolarHBondContact CA-O 3.35Å; T64-R77 WeakPolarHBondContact OG1-CD 3.16Å |
| 65 | V | 97.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 83.1 Ų | 83.1 | 16% | 0.158 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128 | 170.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | A52 L67 L75 V76 | A52-V65 HydrophobicContact CB-CG2 3.31Å; V65-L67 HydrophobicContact CG1-CD2 4.29Å; V65-L75 CarbonylContact O-C 3.54Å; V65-L75 WeakPolarHBondContact O-CA 3.49Å; V65-V76 HydrophobicContact CB-CB 4.2Å; V65-V76 PolarHBondContact N-O 2.78Å; V65-V76 PolarHBondContact O-N 2.93Å |
| 66 | C | 97.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 76.1 Ų | 76.1 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | I74 L75 | C66-I74 WeakPolarHBondContact CA-O 3.38Å; C66-L75 HydrophobicContact CB-CD2 4.08Å |
| 67 | L | 97 | Very high | 92.7 | Very high | 78 Ų | 78 | 79.1 Ų | 79.1 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.6 | 168.1 | -52.6 | 176.5 | 0 | 0 | 0 | 107.1 | L48 V65 N73 I74 | L48-L67 HydrophobicContact CD1-CD1 3.95Å; V65-L67 HydrophobicContact CG1-CD2 4.29Å; L67-N73 CarbonylContact O-C 3.26Å; L67-N73 VanDerWaalsContact O-CA 3.29Å; L67-N73 WeakPolarHBondContact O-CA 3.47Å; L67-I74 HydrophobicContact CB-CB 4.25Å; L67-I74 HydrophobicContact CD1-CB 4.48Å; L67-I74 PolarHBondContact N-O 3.29Å; L67-I74 PolarHBondContact O-N 3.31Å |
| 68 | E | 96.8 | Very high | 93.1 | Very high | 150 Ų | 150 | 70 Ų | 70 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138 | -176.7 | -178 | 160.8 | -107.8 | 0 | 0 | 110.4 | N73 | E68-N73 WeakPolarHBondContact CG-OD1 3.4Å; E68-N73 PolarHBondContact OE1-ND2 3.35Å |
| 69 | S | 94.8 | Very high | 93.4 | Very high | 56 Ų | 56 | 73.6 Ų | 73.6 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 170.1 | -178.8 | 69.6 | 0 | 0 | 0 | 0 | 110.2 | S71 G72 | S69-S71 PolarHBondContact O-N 3.1Å; S69-S71 VanDerWaalsContact O-N 3.13Å; S69-S71 PolarHBondContact OG-N 2.99Å; S69-S71 PolarHBondContact OG-OG 3.37Å; S69-G72 PolarHBondContact N-O 2.93Å; S69-G72 PolarHBondContact O-N 3.49Å; S69-G72 PolarHBondContact OG-N 3.01Å; S69-G72 PolarHBondContact OG-O 2.92Å |
| 70 | D | 93.8 | Very high | 94.1 | Very high | 181 Ų | 181 | 70.9 Ų | 70.9 | 97% | 0.968 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.5 | 172.3 | -58.9 | -18.6 | 0 | 0 | 0 | 112.8 | G72 | D70-G72 VanDerWaalsContact C-N 3.32Š|
| 71 | S | 89.3 | Confident | 94.6 | Very high | 83 Ų | 83 | 68.8 Ų | 68.8 | 58% | 0.58 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.2 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | S69 | S69-S71 PolarHBondContact O-N 3.1Å; S69-S71 VanDerWaalsContact O-N 3.13Å; S69-S71 PolarHBondContact OG-N 2.99Å; S69-S71 PolarHBondContact OG-OG 3.37Å |
| 72 | G | 94.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.6 | -164.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S69 D70 K88 | S69-G72 PolarHBondContact N-O 2.93Å; S69-G72 PolarHBondContact O-N 3.49Å; S69-G72 PolarHBondContact OG-N 3.01Å; S69-G72 PolarHBondContact OG-O 2.92Å; D70-G72 VanDerWaalsContact C-N 3.32Å; G72-K88 CarbonylContact C-O 3.53Å; G72-K88 WeakPolarHBondContact CA-O 3.37Å |
| 73 | N | 97.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.1 | -164.6 | -62.6 | 15.3 | 0 | 0 | 0 | 110.5 | L67 E68 H87 K88 | L67-N73 CarbonylContact O-C 3.26Å; L67-N73 VanDerWaalsContact O-CA 3.29Å; L67-N73 WeakPolarHBondContact O-CA 3.47Å; E68-N73 WeakPolarHBondContact CG-OD1 3.4Å; E68-N73 PolarHBondContact OE1-ND2 3.35Å; N73-H87 WeakPolarHBondContact O-CA 3.37Å; N73-K88 PolarHBondContact N-O 3.07Å; N73-K88 PolarHBondContact O-N 3.27Å |
| 74 | I | 97.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.1 | 168.9 | -56.5 | 175.4 | 0 | 0 | 0 | 108.1 | L37 C66 L67 V76 A85 V86 H87 | L37-I74 HydrophobicContact CD2-CD1 4.41Å; C66-I74 WeakPolarHBondContact CA-O 3.38Å; L67-I74 HydrophobicContact CB-CB 4.25Å; L67-I74 HydrophobicContact CD1-CB 4.48Å; L67-I74 PolarHBondContact N-O 3.29Å; L67-I74 PolarHBondContact O-N 3.31Å; I74-V76 HydrophobicContact CG2-CG2 4.04Å; I74-A85 HydrophobicContact CG2-CB 4.36Å; I74-V86 WeakPolarHBondContact CA-O 3.46Å; I74-H87 HydrophobicContact CG1-CB 4.12Å |
| 75 | L | 98 | Very high | 95.7 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.5 | 178.6 | -62.6 | 165.1 | 0 | 0 | 0 | 108.8 | T64 V65 C66 A85 V86 K88 | T64-L75 HydrophobicContact CG2-CB 4.4Å; T64-L75 HydrophobicContact CG2-CD2 4.16Å; V65-L75 CarbonylContact O-C 3.54Å; V65-L75 WeakPolarHBondContact O-CA 3.49Å; C66-L75 HydrophobicContact CB-CD2 4.08Å; L75-A85 CarbonylContact O-C 3.57Å; L75-A85 VanDerWaalsContact O-CA 3.27Å; L75-A85 WeakPolarHBondContact O-CA 3.46Å; L75-V86 PolarHBondContact N-O 2.93Å; L75-V86 PolarHBondContact O-N 3.41Å; L75-K88 HydrophobicContact CD1-CD 4.18Å |
| 76 | V | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.7 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | V45 A49 T64 V65 I74 T83 I84 A85 | V45-V76 HydrophobicContact CG1-CG1 3.76Å; V45-V76 HydrophobicContact CG1-CG2 4.33Å; V45-V76 HydrophobicContact CG2-CG2 4.37Å; V45-V76 WeakPolarHBondContact O-CG1 3.35Å; A49-V76 HydrophobicContact CB-CG1 3.98Å; T64-V76 CarbonylContact C-O 3.57Å; T64-V76 WeakPolarHBondContact CA-O 3.35Å; V65-V76 HydrophobicContact CB-CB 4.2Å; V65-V76 PolarHBondContact N-O 2.78Å; V65-V76 PolarHBondContact O-N 2.93Å; I74-V76 HydrophobicContact CG2-CG2 4.04Å; V76-T83 HydrophobicContact CG1-CG2 3.74Å; V76-I84 WeakPolarHBondContact CA-O 3.48Å; V76-A85 HydrophobicContact CG2-CB 3.96Å |
| 77 | R | 96.8 | Very high | 95.8 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 139.9 | 176.3 | -167.9 | 176.4 | -164.3 | 160.6 | 4.2 | 111.4 | S62 T64 I84 | S62-R77 PolarHBondContact O-NE 2.9Å; S62-R77 PolarHBondContact O-NH2 2.65Å; T64-R77 WeakPolarHBondContact OG1-CD 3.16Å; R77-I84 PolarHBondContact N-O 3.21Å; R77-I84 PolarHBondContact O-N 2.73Å |
| 78 | S | 95.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 64 Ų | 64 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145.7 | 169.1 | -59 | 0 | 0 | 0 | 0 | 111.8 | A49 S62 I82 T83 | A49-S78 WeakPolarHBondContact CB-OG 3.49Å; S62-S78 VanDerWaalsContact CB-O 3.23Å; S62-S78 WeakPolarHBondContact CB-O 3.25Å; S62-S78 PolarHBondContact OG-O 3.37Å; S78-I82 CarbonylContact C-O 3.59Å; S78-I82 VanDerWaalsContact CA-O 3.28Å; S78-I82 WeakPolarHBondContact CA-O 3.34Å; S78-T83 PolarHBondContact OG-OG1 3.13Å |
| 79 | H | 93.2 | Very high | 95.7 | Very high | 159 Ų | 159 | 61 Ų | 61 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 109.4 | 169.4 | -175.4 | -92.5 | 0 | 0 | 0 | 109.1 | S81 I82 | H79-S81 PolarHBondContact O-N 3.3Å; H79-I82 PolarHBondContact N-O 2.93Å; H79-I82 PolarHBondContact O-N 3.12Å |
| 80 | G | 90.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -118.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 81 | S | 92.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.5 | -179.8 | 59.4 | 0 | 0 | 0 | 0 | 115 | Q26 H79 | Q26-S81 WeakPolarHBondContact CG-O 3.49Å; Q26-S81 PolarHBondContact N-O 2.97Å; H79-S81 PolarHBondContact O-N 3.3Å |
| 82 | I | 95.5 | Very high | 93.4 | Very high | 66 Ų | 66 | 60 Ų | 60 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.2 | -175.8 | -63.9 | 169.8 | 0 | 0 | 0 | 109 | C23 T24 L31 S78 H79 I84 | C23-I82 WeakPolarHBondContact SG-CG2 3.41Å; T24-I82 CarbonylContact O-C 3.55Å; T24-I82 WeakPolarHBondContact O-CA 3.5Å; L31-I82 HydrophobicContact CD1-CG1 4.23Å; S78-I82 CarbonylContact C-O 3.59Å; S78-I82 VanDerWaalsContact CA-O 3.28Å; S78-I82 WeakPolarHBondContact CA-O 3.34Å; H79-I82 PolarHBondContact N-O 2.93Å; H79-I82 PolarHBondContact O-N 3.12Å; I82-I84 HydrophobicContact CG2-CG1 4.07Å |
| 83 | T | 97.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.4 | 168.9 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | T24 V45 A49 V76 S78 | T24-T83 PolarHBondContact N-O 3.46Å; T24-T83 PolarHBondContact O-N 3.32Å; V45-T83 HydrophobicContact CG1-CG2 3.67Å; A49-T83 HydrophobicContact CB-CG2 3.61Å; V76-T83 HydrophobicContact CG1-CG2 3.74Å; S78-T83 PolarHBondContact OG-OG1 3.13Å |
| 84 | I | 97.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 40% | 0.395 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.2 | 179.3 | -58.7 | 176.7 | 0 | 0 | 0 | 108.4 | V21 L22 V76 R77 I82 V86 | V21-I84 HydrophobicContact CG2-CG2 4.38Å; L22-I84 CarbonylContact O-C 3.51Å; L22-I84 WeakPolarHBondContact O-CA 3.35Å; V76-I84 WeakPolarHBondContact CA-O 3.48Å; R77-I84 PolarHBondContact N-O 3.21Å; R77-I84 PolarHBondContact O-N 2.73Å; I82-I84 HydrophobicContact CG2-CG1 4.07Å; I84-V86 HydrophobicContact CG2-CG2 4.03Å |
| 85 | A | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V21 L22 L37 V45 I74 L75 V76 | V21-A85 CarbonylContact C-O 3.58Å; V21-A85 VanDerWaalsContact CA-O 3.31Å; V21-A85 WeakPolarHBondContact CA-O 3.21Å; L22-A85 HydrophobicContact CB-CB 4.38Å; L22-A85 PolarHBondContact N-O 2.85Å; L22-A85 PolarHBondContact O-N 3.47Å; L37-A85 HydrophobicContact CD1-CB 3.78Å; V45-A85 HydrophobicContact CB-CB 4.44Å; V45-A85 HydrophobicContact CG1-CB 3.75Å; V45-A85 HydrophobicContact CG2-CB 3.75Å; I74-A85 HydrophobicContact CG2-CB 4.36Å; L75-A85 CarbonylContact O-C 3.57Å; L75-A85 VanDerWaalsContact O-CA 3.27Å; L75-A85 WeakPolarHBondContact O-CA 3.46Å; V76-A85 HydrophobicContact CG2-CB 3.96Å |
| 86 | V | 98.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.8 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | V18 V21 I74 L75 I84 K88 | V18-V86 HydrophobicContact CG1-CG1 3.83Å; V18-V86 HydrophobicContact CG2-CG1 4.03Å; V21-V86 HydrophobicContact CG2-CG2 4.32Å; I74-V86 WeakPolarHBondContact CA-O 3.46Å; L75-V86 PolarHBondContact N-O 2.93Å; L75-V86 PolarHBondContact O-N 3.41Å; I84-V86 HydrophobicContact CG2-CG2 4.03Å; V86-K88 HydrophobicContact CG1-CG 4.11Å |
| 87 | H | 97.9 | Very high | 92.2 | Very high | 28 Ų | 28 | 71.2 Ų | 71.2 | 13% | 0.13 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.5 | 173.6 | -174.1 | -164.8 | 0 | 0 | 0 | 109.7 | V19 G20 S36 L37 N73 I74 | V19-H87 HydrophobicContact CG2-CB 4.16Å; V19-H87 WeakPolarHBondContact CG2-O 3.38Å; V19-H87 PolarHBondContact N-O 2.97Å; G20-H87 PolarHBondContact N-O 3.1Å; G20-H87 PolarHBondContact O-N 3.4Å; S36-H87 PolarHBondContact OG-ND1 3.11Å; L37-H87 HydrophobicContact CD1-CB 4.26Å; L37-H87 HydrophobicContact CG-CB 4.25Å; N73-H87 WeakPolarHBondContact O-CA 3.37Å; I74-H87 HydrophobicContact CG1-CB 4.12Å |
| 88 | K | 97 | Very high | 91.8 | Very high | 81 Ų | 81 | 67.4 Ų | 67.4 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.4 | 177.7 | -73 | -176.3 | 169.1 | -179.2 | 0 | 111.2 | A17 V18 G72 N73 L75 V86 | A17-K88 CarbonylContact O-C 3.54Å; A17-K88 WeakPolarHBondContact O-CA 3.3Å; V18-K88 HydrophobicContact CG2-CG 3.98Å; G72-K88 CarbonylContact C-O 3.53Å; G72-K88 WeakPolarHBondContact CA-O 3.37Å; N73-K88 PolarHBondContact N-O 3.07Å; N73-K88 PolarHBondContact O-N 3.27Å; L75-K88 HydrophobicContact CD1-CD 4.18Å; V86-K88 HydrophobicContact CG1-CG 4.11Å |
| 89 | I | 94.6 | Very high | 91.6 | Very high | 88 Ų | 88 | 70.4 Ų | 70.4 | 45% | 0.451 | 43% | 0.43 | S | S | . | . | trans | -71.7 | 137.7 | 168.6 | -53.1 | 167.6 | 0 | 0 | 0 | 108.1 | A17 V19 S91 | A17-I89 PolarHBondContact O-N 2.65Å; V19-I89 HydrophobicContact CG1-CD1 3.48Å; V19-I89 VanDerWaalsContact CG1-CD1 3.48Å; V19-I89 HydrophobicContact CG1-CG1 3.57Å; V19-I89 HydrophobicContact CG2-CG1 4.14Å; I89-S91 PolarHBondContact O-N 2.99Å | ||
| 90 | A | 77.9 | Confident | 91.4 | Very high | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | trans | -65 | 128.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 91 | S | 59.7 | Low | 91.5 | Very high | 181 Ų | 181 | 62.4 Ų | 62.4 | 100% | 1.266 | 38% | 0.375 | S | S | * | . | trans | -85.4 | 0 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | I89 | I89-S91 PolarHBondContact O-N 2.99Š|
Retrieved 91 of 91 residues in 191.5 ms
(Link to these results)