| 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 | 41.4 | Very low | 50.7 | Low | 225 Ų | 225 | 134.1 Ų | 134.1 | 100% | 1.108 | 66% | 0.663 | S | S | * | * | 0 | 106.7 | 0 | -65.2 | 89.8 | 164.2 | 0 | 0 | 110.8 | R3 | M1-R3 PolarHBondContact O-N 3.15Š| |||
| 2 | N | 33.9 | Very low | 52 | Low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 103.2 | 175.3 | -96.8 | 39.5 | 0 | 0 | 0 | 110.8 | Y4 | N2-Y4 HydrophobicContact CB-CD2 4.47Å; N2-Y4 PolarHBondContact O-N 3.45Å | ||
| 3 | R | 48.6 | Very low | 53.7 | Low | 178 Ų | 178 | 132.1 Ų | 132.1 | 67% | 0.672 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -73.4 | 4.5 | -179.7 | -66.9 | -172.5 | -111.3 | -179.8 | -0.2 | 114.6 | M1 G5 D29 | M1-R3 PolarHBondContact O-N 3.15Å; R3-G5 PolarHBondContact O-N 2.93Å; R3-D29 IonicContact CZ-OD2 2.98Å; R3-D29 IonicContact NH1-OD2 2.69Å; R3-D29 IonicContact NH2-OD2 3.71Å; R3-D29 PolarHBondContact NH2-OD2 3.45Å |
| 4 | Y | 48.7 | Very low | 55.8 | Low | 118 Ų | 118 | 126.1 Ų | 126.1 | 46% | 0.463 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -75.1 | -0.4 | -178.4 | -61 | -73.6 | 0 | 0 | 0 | 114.9 | N2 | N2-Y4 HydrophobicContact CB-CD2 4.47Å; N2-Y4 PolarHBondContact O-N 3.45Å |
| 5 | G | 46.2 | Very low | 57.9 | Low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -98.3 | -0.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R3 S7 | R3-G5 PolarHBondContact O-N 2.93Å; G5-S7 PolarHBondContact O-N 3.04Å |
| 6 | R | 51.4 | Low | 59.9 | Low | 227 Ų | 227 | 113.1 Ų | 113.1 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -71.9 | 122.5 | 173.5 | -97.3 | -168.6 | 176.5 | -171.6 | -0.6 | 108.9 | ||
| 7 | S | 48.7 | Very low | 61.7 | Low | 104 Ų | 104 | 106.5 Ų | 106.5 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | trans | -36.1 | 131.9 | 165.6 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | G5 | G5-S7 PolarHBondContact O-N 3.04Š| ||
| 8 | P | 56.6 | Low | 63.4 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 53% | 0.532 | 54% | 0.543 | S | S | . | . | trans | -52 | 123.5 | -177 | 20.6 | -30.4 | 0 | 0 | 0 | 107.6 | I11 | P8-I11 HydrophobicContact CB-CD1 4.12Å; P8-I11 HydrophobicContact CB-CG1 4.46Å | ||
| 9 | P | 57.6 | Low | 64.8 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 29% | 0.286 | 52% | 0.515 | S | S | . | . | trans | -53.3 | 150.4 | 176.1 | 20.3 | -28.9 | 0 | 0 | 0 | 107.8 | I11 D43 | P9-I11 WeakPolarHBondContact O-CG1 2.95Å; P9-I11 PolarHBondContact O-N 2.82Å; P9-D43 HydrophobicContact CG-CB 3.7Å | ||
| 10 | R | 60.6 | Low | 66.1 | Low | 229 Ų | 229 | 96.7 Ų | 96.7 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | trans | -59.2 | 102.3 | -176.4 | -63.7 | -179.3 | 106.8 | -141 | 5.5 | 108.4 | D12 M14 | R10-D12 VanDerWaalsContact C-N 3.32Å; R10-M14 VanDerWaalsContact O-CE 3.22Å; R10-M14 WeakPolarHBondContact O-CE 2.84Å; R10-M14 VanDerWaalsContact O-SD 3.4Å | ||
| 11 | I | 63.8 | Low | 67.2 | Low | 51 Ų | 51 | 95.6 Ų | 95.6 | 26% | 0.262 | 50% | 0.498 | S | S | . | . | trans | -80.4 | -22.2 | -169.5 | -55.3 | -160.1 | 0 | 0 | 0 | 110.7 | P8 P9 G13 M14 R62 R95 | P8-I11 HydrophobicContact CB-CD1 4.12Å; P8-I11 HydrophobicContact CB-CG1 4.46Å; P9-I11 WeakPolarHBondContact O-CG1 2.95Å; P9-I11 PolarHBondContact O-N 2.82Å; I11-G13 PolarHBondContact O-N 2.68Å; I11-G13 VanDerWaalsContact O-N 3.16Å; I11-M14 PolarHBondContact O-N 3.37Å; I11-M14 VanDerWaalsContact O-N 3.12Å; I11-R62 VanDerWaalsContact CA-NH1 3.27Å; I11-R62 VanDerWaalsContact CA-NH2 3.33Å; I11-R62 VanDerWaalsContact CB-NH1 3.28Å; I11-R62 PolarHBondContact O-NH2 2.98Å; I11-R95 HydrophobicContact CD1-CB 4.2Å | ||
| 12 | D | 66.2 | Low | 69.4 | Low | 168 Ų | 168 | 85.2 Ų | 85.2 | 90% | 0.898 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 112.9 | -172.4 | -140.3 | -105.6 | 0 | 0 | 0 | 110.6 | R10 | R10-D12 VanDerWaalsContact C-N 3.32Š|
| 13 | G | 74.6 | Confident | 71.8 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 76% | 0.763 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -8.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | I11 | I11-G13 PolarHBondContact O-N 2.68Å; I11-G13 VanDerWaalsContact O-N 3.16Å |
| 14 | M | 83.2 | Confident | 73.4 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -86 | 143.8 | 178 | -74 | 170 | -177.2 | 0 | 0 | 112 | R10 I11 R62 Y63 | R10-M14 VanDerWaalsContact O-CE 3.22Å; R10-M14 WeakPolarHBondContact O-CE 2.84Å; R10-M14 VanDerWaalsContact O-SD 3.4Å; I11-M14 PolarHBondContact O-N 3.37Å; I11-M14 VanDerWaalsContact O-N 3.12Å; M14-R62 PolarHBondContact O-NH2 3.3Å; M14-Y63 CarbonylContact C-O 3.55Å; M14-Y63 WeakPolarHBondContact CA-O 3.28Å; M14-Y63 VanDerWaalsContact CB-O 3.28Å; M14-Y63 WeakPolarHBondContact CB-O 3.37Å |
| 15 | V | 87.3 | Confident | 75 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.8 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | R62 Y63 D66 A69 | V15-R62 CarbonylContact O-C 3.54Å; V15-R62 WeakPolarHBondContact O-CA 3.27Å; V15-Y63 PolarHBondContact N-O 2.87Å; V15-Y63 PolarHBondContact O-N 2.82Å; V15-D66 HydrophobicContact CG2-CB 3.96Å; V15-A69 HydrophobicContact CB-CB 3.84Å; V15-A69 HydrophobicContact CG1-CB 3.45Å; V15-A69 VanDerWaalsContact CG1-CB 3.45Å |
| 16 | S | 89.4 | Confident | 76.7 | Confident | 19 Ų | 19 | 76.3 Ų | 76.3 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.3 | -179.7 | -53.4 | 0 | 0 | 0 | 0 | 110 | R62 A91 | S16-R62 PolarHBondContact OG-NE 3.23Å; S16-A91 VanDerWaalsContact O-CB 3.32Å; S16-A91 WeakPolarHBondContact O-CB 2.99Å; S16-A91 PolarHBondContact O-N 3.48Å |
| 17 | L | 91.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139 | 172 | -61 | -171.9 | 0 | 0 | 0 | 109.8 | F60 V61 Y63 A69 A72 I73 V88 Q89 R90 | L17-F60 CarbonylContact O-C 3.5Å; L17-F60 WeakPolarHBondContact O-CA 3.3Å; L17-V61 PolarHBondContact N-O 3.23Å; L17-V61 PolarHBondContact O-N 3.4Å; L17-Y63 HydrophobicContact CD1-CD2 3.82Å; L17-Y63 HydrophobicContact CD1-CE2 3.63Å; L17-Y63 HydrophobicContact CG-CD2 4.21Å; L17-Y63 HydrophobicContact CG-CE2 4.45Å; L17-A69 HydrophobicContact CD1-CB 4.31Å; L17-A69 HydrophobicContact CD2-CB 3.93Å; L17-A69 HydrophobicContact CG-CB 4.17Å; L17-A72 HydrophobicContact CD1-CB 3.79Å; L17-I73 HydrophobicContact CD1-CG1 4.13Å; L17-I73 HydrophobicContact CD2-CD1 3.47Å; L17-I73 VanDerWaalsContact CD2-CD1 3.47Å; L17-I73 HydrophobicContact CD2-CG1 3.61Å; L17-V88 HydrophobicContact CB-CG1 4.34Å; L17-V88 HydrophobicContact CD1-CG1 3.96Å; L17-Q89 CarbonylContact C-O 3.59Å; L17-Q89 WeakPolarHBondContact CA-O 3.08Å; L17-R90 HydrophobicContact CD2-CG 4.33Å |
| 18 | K | 91.5 | Very high | 80.1 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 30% | 0.296 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.1 | 168.4 | -174.3 | -171.8 | 175.2 | -154.8 | 0 | 108.1 | D20 F60 V88 Q89 A91 | K18-D20 WeakPolarHBondContact CE-OD2 3.28Å; K18-D20 IonicContact NZ-OD2 2.61Å; K18-D20 PolarHBondContact NZ-OD2 2.74Å; K18-F60 HydrophobicContact CB-CD1 4.1Å; K18-F60 HydrophobicContact CB-CE1 3.88Å; K18-F60 HydrophobicContact CD-CE1 4.35Å; K18-F60 HydrophobicContact CG-CD1 4.29Å; K18-F60 HydrophobicContact CG-CE1 3.8Å; K18-F60 HydrophobicContact CG-CZ 4.35Å; K18-V88 WeakPolarHBondContact O-CA 3.22Å; K18-Q89 PolarHBondContact N-O 3.36Å; K18-Q89 PolarHBondContact O-N 2.87Å; K18-A91 HydrophobicContact CB-CB 4.27Å |
| 19 | V | 91 | Very high | 81.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.3 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 107.4 | L22 F35 F58 A59 V61 V86 R87 V88 | V19-L22 HydrophobicContact CB-CD1 3.86Å; V19-L22 HydrophobicContact CG1-CD1 3.59Å; V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 3.75Å; V19-F35 HydrophobicContact CB-CZ 4.43Å; V19-F35 HydrophobicContact CG1-CE2 4.39Å; V19-F35 HydrophobicContact CG1-CZ 4.17Å; V19-F35 HydrophobicContact CG2-CE1 4.13Å; V19-F35 HydrophobicContact CG2-CE2 3.82Å; V19-F35 HydrophobicContact CG2-CZ 3.36Å; V19-F58 CarbonylContact O-C 3.6Å; V19-F58 WeakPolarHBondContact O-CA 3.17Å; V19-F58 VanDerWaalsContact O-CB 3.24Å; V19-F58 WeakPolarHBondContact O-CB 3.48Å; V19-A59 PolarHBondContact N-O 3.42Å; V19-A59 PolarHBondContact O-N 2.78Å; V19-V61 HydrophobicContact CG2-CG2 3.97Å; V19-V86 HydrophobicContact CG1-CB 4.13Å; V19-R87 CarbonylContact C-O 3.49Å; V19-R87 WeakPolarHBondContact CA-O 3.39Å; V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG1 4.5Å; V19-V88 HydrophobicContact CG2-CG2 4.36Å |
| 20 | D | 90.4 | Very high | 83.1 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 164.6 | -176.8 | -149.2 | -88.5 | 0 | 0 | 0 | 110.7 | K18 L22 V86 R87 | K18-D20 WeakPolarHBondContact CE-OD2 3.28Å; K18-D20 IonicContact NZ-OD2 2.61Å; K18-D20 PolarHBondContact NZ-OD2 2.74Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 2.65Å; D20-V86 WeakPolarHBondContact O-CA 3.23Å; D20-R87 HydrophobicContact CB-CB 4.23Å; D20-R87 PolarHBondContact N-O 3.3Å; D20-R87 PolarHBondContact O-N 3.19Å |
| 21 | N | 89.2 | Confident | 84.4 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 56 | 35.4 | -175.3 | -162.7 | 36.7 | 0 | 0 | 0 | 115.4 | G57 E85 | N21-G57 PolarHBondContact N-O 3.45Å; N21-E85 WeakPolarHBondContact CB-O 3.12Å; N21-E85 PolarHBondContact ND2-O 2.75Å |
| 22 | L | 87.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | trans | -73.9 | 151.5 | 173.6 | -77.7 | 162.8 | 0 | 0 | 0 | 112 | V19 D20 T26 L31 G57 A59 R84 V86 | V19-L22 HydrophobicContact CB-CD1 3.86Å; V19-L22 HydrophobicContact CG1-CD1 3.59Å; V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 3.75Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 2.65Å; L22-T26 HydrophobicContact CD2-CG2 4.01Å; L22-L31 HydrophobicContact CD1-CD1 4.22Å; L22-L31 HydrophobicContact CD1-CD2 3.93Å; L22-L31 HydrophobicContact CD2-CD2 3.78Å; L22-G57 PolarHBondContact N-O 2.88Å; L22-A59 HydrophobicContact CD1-CB 3.52Å; L22-R84 PolarHBondContact O-NH1 3.38Å; L22-V86 HydrophobicContact CD2-CG1 3.61Å; L22-V86 HydrophobicContact CG-CG1 4.17Å | ||
| 23 | A | 84.1 | Confident | 86.8 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | trans | -66.4 | 144.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R25 T26 D82 | A23-R25 HydrophobicContact CB-CG 4.13Å; A23-R25 PolarHBondContact O-N 2.72Å; A23-R25 VanDerWaalsContact O-N 3.16Å; A23-T26 PolarHBondContact N-OG1 2.87Å; A23-T26 WeakPolarHBondContact O-CB 2.87Å; A23-T26 PolarHBondContact O-N 2.73Å; A23-T26 PolarHBondContact O-OG1 3.16Å; A23-D82 HydrophobicContact CB-CB 4.19Å; A23-D82 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 24 | Y | 82.2 | Confident | 87.4 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.5 | -179.6 | -62.3 | -62 | 0 | 0 | 0 | 112.9 | S55 | Y24-S55 WeakPolarHBondContact CD1-O 3.38Å; Y24-S55 WeakPolarHBondContact CE1-O 3.37Å; Y24-S55 PolarHBondContact O-OG 3.4Å |
| 25 | R | 82.6 | Confident | 87.7 | Confident | 178 Ų | 178 | 58.5 Ų | 58.5 | 67% | 0.672 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.9 | 176.5 | 66.9 | -176.1 | -176.8 | -144 | -7.3 | 114.2 | A23 T27 D82 | A23-R25 HydrophobicContact CB-CG 4.13Å; A23-R25 PolarHBondContact O-N 2.72Å; A23-R25 VanDerWaalsContact O-N 3.16Å; R25-T27 PolarHBondContact O-N 2.68Å; R25-D82 WeakPolarHBondContact CD-OD1 3.34Å; R25-D82 VanDerWaalsContact CG-OD1 3.26Å; R25-D82 WeakPolarHBondContact CG-OD1 3.25Å; R25-D82 IonicContact CZ-OD1 3.22Å; R25-D82 VanDerWaalsContact CZ-OD1 3.22Å; R25-D82 IonicContact CZ-OD2 3.34Å; R25-D82 IonicContact NE-OD1 3.18Å; R25-D82 PolarHBondContact NE-OD1 2.69Å; R25-D82 IonicContact NE-OD2 3.87Å; R25-D82 PolarHBondContact NE-OD2 2.78Å; R25-D82 VanDerWaalsContact NE-OD2 3.1Å; R25-D82 PolarHBondContact NH2-O 2.95Å; R25-D82 IonicContact NH2-OD1 3.1Å; R25-D82 PolarHBondContact NH2-OD1 2.84Å; R25-D82 VanDerWaalsContact NH2-OD1 3.1Å; R25-D82 IonicContact NH2-OD2 2.77Å; R25-D82 PolarHBondContact NH2-OD2 3.05Å |
| 26 | T | 82.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | trans | -63.9 | 127.5 | -179.8 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | L22 A23 D30 L31 | L22-T26 HydrophobicContact CD2-CG2 4.01Å; A23-T26 PolarHBondContact N-OG1 2.87Å; A23-T26 WeakPolarHBondContact O-CB 2.87Å; A23-T26 PolarHBondContact O-N 2.73Å; A23-T26 PolarHBondContact O-OG1 3.16Å; T26-D30 HydrophobicContact CG2-CB 4.05Å; T26-L31 HydrophobicContact CG2-CD2 4.11Å; T26-L31 HydrophobicContact CG2-CG 3.93Å | ||
| 27 | T | 84.6 | Confident | 87.8 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -102.4 | 166.8 | -179.4 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | R25 D29 D30 L31 | R25-T27 PolarHBondContact O-N 2.68Å; T27-D29 PolarHBondContact O-N 2.74Å; T27-D30 PolarHBondContact O-N 3.25Å; T27-D30 PolarHBondContact OG1-N 2.68Å; T27-L31 PolarHBondContact O-N 3.46Å; T27-L31 VanDerWaalsContact O-N 3.13Å | ||
| 28 | I | 87.1 | Confident | 87.7 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -39 | 174.3 | -64.3 | 170.3 | 0 | 0 | 0 | 110.9 | R32 I44 I46 | I28-R32 VanDerWaalsContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CB 3.38Å; I28-R32 PolarHBondContact O-N 2.75Å; I28-I44 HydrophobicContact CB-CG2 4.43Å; I28-I44 HydrophobicContact CG1-CG2 4.32Å; I28-I44 HydrophobicContact CG2-CB 3.81Å; I28-I44 HydrophobicContact CG2-CD1 4.01Å; I28-I44 HydrophobicContact CG2-CG1 4.47Å; I28-I44 HydrophobicContact CG2-CG2 3.9Å; I28-I46 HydrophobicContact CB-CD1 4.47Å; I28-I46 HydrophobicContact CG1-CD1 3.58Å; I28-I46 HydrophobicContact CG1-CG1 3.88Å |
| 29 | D | 88 | Confident | 87.5 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | -180 | -99.5 | -86.2 | 0 | 0 | 0 | 111.8 | R3 T27 R32 R33 | R3-D29 IonicContact CZ-OD2 2.98Å; R3-D29 IonicContact NH1-OD2 2.69Å; R3-D29 IonicContact NH2-OD2 3.71Å; R3-D29 PolarHBondContact NH2-OD2 3.45Å; T27-D29 PolarHBondContact O-N 2.74Å; D29-R32 PolarHBondContact O-N 3.3Å; D29-R33 PolarHBondContact O-N 3.02Å |
| 30 | D | 88.1 | Confident | 87.3 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -51.9 | 176.2 | -163.3 | -109 | 0 | 0 | 0 | 110.8 | T26 T27 R32 R33 V34 | T26-D30 HydrophobicContact CG2-CB 4.05Å; T27-D30 PolarHBondContact O-N 3.25Å; T27-D30 PolarHBondContact OG1-N 2.68Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.46Å; D30-R33 WeakPolarHBondContact O-CB 3.34Å; D30-R33 PolarHBondContact O-N 2.66Å; D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 2.8Å |
| 31 | L | 88.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.2 | -46 | 174.1 | -68.9 | 172.5 | 0 | 0 | 0 | 111.4 | L22 T26 T27 R33 V34 F35 I44 I46 A59 | L22-L31 HydrophobicContact CD1-CD1 4.22Å; L22-L31 HydrophobicContact CD1-CD2 3.93Å; L22-L31 HydrophobicContact CD2-CD2 3.78Å; T26-L31 HydrophobicContact CG2-CD2 4.11Å; T26-L31 HydrophobicContact CG2-CG 3.93Å; T27-L31 PolarHBondContact O-N 3.46Å; T27-L31 VanDerWaalsContact O-N 3.13Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.45Å; L31-V34 PolarHBondContact O-N 3.12Å; L31-F35 HydrophobicContact CB-CD2 4.27Å; L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 3.75Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.07Å; L31-F35 VanDerWaalsContact O-CD2 3.25Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 2.97Å; L31-I44 HydrophobicContact CB-CD1 4.29Å; L31-I44 HydrophobicContact CB-CG2 4.46Å; L31-I44 HydrophobicContact CD1-CG2 4.07Å; L31-I46 HydrophobicContact CD1-CD1 3.88Å; L31-I46 HydrophobicContact CD1-CG1 4.19Å; L31-A59 HydrophobicContact CD1-CB 3.4Å |
| 32 | R | 89.8 | Confident | 87.1 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.5 | -43.2 | 178.7 | -165.9 | 178.5 | -179.8 | -138.7 | -2.1 | 111 | I28 D29 D30 S36 I44 | I28-R32 VanDerWaalsContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CB 3.38Å; I28-R32 PolarHBondContact O-N 2.75Å; D29-R32 PolarHBondContact O-N 3.3Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.46Å; R32-S36 WeakPolarHBondContact O-CB 3.31Å; R32-S36 PolarHBondContact O-N 2.93Å; R32-I44 HydrophobicContact CB-CD1 3.54Å; R32-I44 HydrophobicContact CG-CD1 4.06Å |
| 33 | R | 89.4 | Confident | 87 | Confident | 213 Ų | 213 | 70.8 Ų | 70.8 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 179.6 | -168.1 | 177.3 | -179 | -177.7 | 0.3 | 112.1 | D29 D30 L31 | D29-R33 PolarHBondContact O-N 3.02Å; D30-R33 WeakPolarHBondContact O-CB 3.34Å; D30-R33 PolarHBondContact O-N 2.66Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.45Å |
| 34 | V | 88.6 | Confident | 87.2 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 21% | 0.212 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.2 | -43 | -178.7 | -152.1 | 0 | 0 | 0 | 0 | 111.6 | D30 L31 R37 M76 | D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 2.8Å; L31-V34 PolarHBondContact O-N 3.12Å; V34-R37 WeakPolarHBondContact O-CG 3.32Å; V34-M76 HydrophobicContact CB-CE 4.38Å; V34-M76 HydrophobicContact CG1-CE 3.56Å; V34-M76 HydrophobicContact CG1-SD 3.71Å |
| 35 | F | 89.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.9 | -26.7 | -177.1 | -79.7 | -84.1 | 0 | 0 | 0 | 113 | V19 L31 R37 F38 V41 V61 Y63 A72 M76 V88 | V19-F35 HydrophobicContact CB-CZ 4.43Å; V19-F35 HydrophobicContact CG1-CE2 4.39Å; V19-F35 HydrophobicContact CG1-CZ 4.17Å; V19-F35 HydrophobicContact CG2-CE1 4.13Å; V19-F35 HydrophobicContact CG2-CE2 3.82Å; V19-F35 HydrophobicContact CG2-CZ 3.36Å; L31-F35 HydrophobicContact CB-CD2 4.27Å; L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 3.75Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.07Å; L31-F35 VanDerWaalsContact O-CD2 3.25Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 2.97Å; F35-R37 PolarHBondContact O-N 3.31Å; F35-R37 VanDerWaalsContact O-N 3.08Å; F35-F38 PolarHBondContact O-N 3.39Å; F35-F38 VanDerWaalsContact O-N 3.15Å; F35-V41 HydrophobicContact CB-CG2 3.87Å; F35-V61 HydrophobicContact CB-CG1 4.14Å; F35-V61 HydrophobicContact CD1-CG1 4.21Å; F35-V61 HydrophobicContact CD1-CG2 4.48Å; F35-V61 HydrophobicContact CD2-CG2 4.06Å; F35-V61 HydrophobicContact CE2-CG2 4.23Å; F35-V61 HydrophobicContact CG-CG1 4.11Å; F35-V61 HydrophobicContact CG-CG2 4.2Å; F35-Y63 VanDerWaalsContact CB-OH 3.28Å; F35-Y63 WeakPolarHBondContact CB-OH 3.39Å; F35-Y63 HydrophobicContact CD1-CE2 4.21Å; F35-Y63 WeakPolarHBondContact CD1-OH 3.49Å; F35-Y63 PolarHBondContact O-OH 3.36Å; F35-A72 HydrophobicContact CD1-CB 4.15Å; F35-A72 HydrophobicContact CE1-CB 4.37Å; F35-M76 HydrophobicContact CE1-CB 4.38Å; F35-M76 HydrophobicContact CE1-CG 4.19Å; F35-M76 HydrophobicContact CZ-CB 4.4Å; F35-M76 HydrophobicContact CZ-CG 4.34Å; F35-V88 HydrophobicContact CE1-CG1 4.12Å; F35-V88 HydrophobicContact CE1-CG2 4.28Å; F35-V88 HydrophobicContact CZ-CG1 4.43Å; F35-V88 HydrophobicContact CZ-CG2 3.92Å |
| 36 | S | 89.3 | Confident | 87.5 | Confident | 73 Ų | 73 | 60 Ų | 60 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | R32 F38 G39 | R32-S36 WeakPolarHBondContact O-CB 3.31Å; R32-S36 PolarHBondContact O-N 2.93Å; S36-F38 VanDerWaalsContact C-N 3.29Å; S36-F38 PolarHBondContact O-N 3.37Å; S36-G39 WeakPolarHBondContact CA-O 3.22Å |
| 37 | R | 89.9 | Confident | 87.4 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.2 | 175.9 | 88.8 | -177.8 | -170.7 | -173.5 | -2.4 | 113.6 | V34 F35 G75 | V34-R37 WeakPolarHBondContact O-CG 3.32Å; F35-R37 PolarHBondContact O-N 3.31Å; F35-R37 VanDerWaalsContact O-N 3.08Å; R37-G75 PolarHBondContact NH2-O 2.85Å |
| 38 | F | 88.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -15.2 | -175.6 | -58.5 | -81.6 | 0 | 0 | 0 | 113.5 | F35 S36 A72 M76 | F35-F38 PolarHBondContact O-N 3.39Å; F35-F38 VanDerWaalsContact O-N 3.15Å; S36-F38 VanDerWaalsContact C-N 3.29Å; S36-F38 PolarHBondContact O-N 3.37Å; F38-A72 HydrophobicContact CB-CB 3.91Å; F38-A72 HydrophobicContact CD2-CB 4.18Å; F38-A72 HydrophobicContact CG-CB 4.09Å; F38-M76 HydrophobicContact CD2-CG 4.19Å; F38-M76 HydrophobicContact CE2-CG 3.2Å; F38-M76 HydrophobicContact CE2-SD 3.64Å; F38-M76 HydrophobicContact CZ-CG 3.49Å; F38-M76 VanDerWaalsContact CZ-CG 3.49Å; F38-M76 HydrophobicContact CZ-SD 3.86Å |
| 39 | G | 87.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 166.9 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S36 V41 E68 | S36-G39 WeakPolarHBondContact CA-O 3.22Å; G39-V41 PolarHBondContact O-N 3.02Å; G39-E68 WeakPolarHBondContact CA-OE1 3.08Å |
| 40 | E | 88 | Confident | 86 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | trans | -76.7 | 114.8 | 178.9 | -172.6 | 170.2 | 92.8 | 0 | 0 | 111.4 | G42 Y63 E68 | E40-G42 PolarHBondContact O-N 3.47Å; E40-Y63 VanDerWaalsContact O-CD1 3.25Å; E40-Y63 WeakPolarHBondContact O-CD1 3.49Å; E40-E68 PolarHBondContact N-OE1 3.15Å | ||
| 41 | V | 88.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 109.8 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | F35 G39 I44 V61 Y63 | F35-V41 HydrophobicContact CB-CG2 3.87Å; G39-V41 PolarHBondContact O-N 3.02Å; V41-I44 HydrophobicContact CG1-CD1 3.8Å; V41-I44 HydrophobicContact CG1-CG1 3.49Å; V41-I44 VanDerWaalsContact CG1-CG1 3.49Å; V41-V61 HydrophobicContact CG1-CG1 3.69Å; V41-V61 HydrophobicContact CG2-CG1 4.35Å; V41-Y63 HydrophobicContact CG2-CE1 3.95Å |
| 42 | G | 85.1 | Confident | 84.8 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -42.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E40 R62 | E40-G42 PolarHBondContact O-N 3.47Å; G42-R62 PolarHBondContact N-O 2.83Å |
| 43 | D | 85.8 | Confident | 83.8 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 148.3 | 180 | -171.5 | 56.5 | 0 | 0 | 0 | 111.8 | P9 R62 | P9-D43 HydrophobicContact CG-CB 3.7Å; D43-R62 HydrophobicContact CB-CB 4.15Å; D43-R62 HydrophobicContact CB-CG 4.37Å; D43-R62 PolarHBondContact N-O 2.79Å; D43-R62 PolarHBondContact O-N 3Å |
| 44 | I | 87.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.8 | 175 | -55.9 | 173.9 | 0 | 0 | 0 | 108.7 | I28 L31 R32 V41 F60 V61 | I28-I44 HydrophobicContact CB-CG2 4.43Å; I28-I44 HydrophobicContact CG1-CG2 4.32Å; I28-I44 HydrophobicContact CG2-CB 3.81Å; I28-I44 HydrophobicContact CG2-CD1 4.01Å; I28-I44 HydrophobicContact CG2-CG1 4.47Å; I28-I44 HydrophobicContact CG2-CG2 3.9Å; L31-I44 HydrophobicContact CB-CD1 4.29Å; L31-I44 HydrophobicContact CB-CG2 4.46Å; L31-I44 HydrophobicContact CD1-CG2 4.07Å; R32-I44 HydrophobicContact CB-CD1 3.54Å; R32-I44 HydrophobicContact CG-CD1 4.06Å; V41-I44 HydrophobicContact CG1-CD1 3.8Å; V41-I44 HydrophobicContact CG1-CG1 3.49Å; V41-I44 VanDerWaalsContact CG1-CG1 3.49Å; I44-F60 CarbonylContact C-O 3.46Å; I44-F60 WeakPolarHBondContact CA-O 3.27Å; I44-V61 HydrophobicContact CG1-CG1 4.47Å; I44-V61 HydrophobicContact CG2-CG2 4.48Å |
| 45 | Y | 84.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.1 | -180 | 177.4 | -121.5 | 0 | 0 | 0 | 110.8 | P47 F60 R95 | Y45-P47 HydrophobicContact CD1-CG 4.07Å; Y45-P47 HydrophobicContact CE1-CB 4.24Å; Y45-P47 HydrophobicContact CE1-CG 3.65Å; Y45-P47 WeakPolarHBondContact O-CD 3.28Å; Y45-F60 AromaticContact CD1-CD2 3.94Å; Y45-F60 HydrophobicContact CD1-CD2 3.94Å; Y45-F60 PolarHBondContact N-O 3.34Å; Y45-F60 PolarHBondContact O-N 2.9Å; Y45-R95 HydrophobicContact CD1-CG 4.33Å; Y45-R95 HydrophobicContact CE1-CG 4.44Å; Y45-R95 VanDerWaalsContact CE2-NH2 3.34Å |
| 46 | I | 86.5 | Confident | 81.3 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | trans | -110.2 | 105.8 | 174.7 | -53.3 | -177.9 | 0 | 0 | 0 | 107.8 | I28 L31 R48 A59 | I28-I46 HydrophobicContact CB-CD1 4.47Å; I28-I46 HydrophobicContact CG1-CD1 3.58Å; I28-I46 HydrophobicContact CG1-CG1 3.88Å; L31-I46 HydrophobicContact CD1-CD1 3.88Å; L31-I46 HydrophobicContact CD1-CG1 4.19Å; I46-R48 HydrophobicContact CG2-CG 4.32Å; I46-R48 PolarHBondContact O-N 2.85Å; I46-A59 HydrophobicContact CG1-CB 3.84Å | ||
| 47 | P | 80 | Confident | 81.2 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | trans | -65.9 | 118.9 | 170.8 | -12.4 | 26.8 | 0 | 0 | 0 | 109.1 | Y45 F58 F60 | Y45-P47 HydrophobicContact CD1-CG 4.07Å; Y45-P47 HydrophobicContact CE1-CB 4.24Å; Y45-P47 HydrophobicContact CE1-CG 3.65Å; Y45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-F58 HydrophobicContact CB-CE2 4.17Å; P47-F58 HydrophobicContact CB-CZ 4.49Å; P47-F58 HydrophobicContact CG-CD2 4.13Å; P47-F58 HydrophobicContact CG-CE2 3.64Å; P47-F58 HydrophobicContact CG-CZ 4.41Å; P47-F60 HydrophobicContact CG-CD2 3.92Å; P47-F60 HydrophobicContact CG-CE2 3.7Å | ||
| 48 | R | 82.1 | Confident | 81.1 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -108.1 | 148.2 | 172.3 | -64 | -176.8 | 178.3 | -179.8 | -2.6 | 109 | I46 | I46-R48 HydrophobicContact CG2-CG 4.32Å; I46-R48 PolarHBondContact O-N 2.85Å |
| 49 | D | 78.3 | Confident | 81.2 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | trans | -63.4 | 131.4 | 173.2 | -167.8 | -89.2 | 0 | 0 | 0 | 109.7 | Y51 T52 F53 E54 | D49-Y51 PolarHBondContact O-N 2.74Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.47Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.08Å; D49-Y51 PolarHBondContact OD1-N 2.86Å; D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 PolarHBondContact OD1-N 3.29Å; D49-F53 WeakPolarHBondContact O-CA 3.32Å; D49-F53 PolarHBondContact O-N 2.87Å; D49-E54 PolarHBondContact N-O 3.38Å | ||
| 50 | P | 71.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.3 | -177.4 | 27.6 | -33.3 | 0 | 0 | 0 | 113.5 | ||
| 51 | Y | 75.8 | Confident | 81.4 | Confident | 206 Ų | 206 | 59.8 Ų | 59.8 | 81% | 0.808 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -51.6 | -178.8 | -58.2 | -79.6 | 0 | 0 | 0 | 111.3 | D49 | D49-Y51 PolarHBondContact O-N 2.74Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.47Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.08Å; D49-Y51 PolarHBondContact OD1-N 2.86Å |
| 52 | T | 75.3 | Confident | 81.4 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12.1 | -178.1 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | D49 E54 | D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 PolarHBondContact OD1-N 3.29Å; T52-E54 PolarHBondContact O-N 2.8Å; T52-E54 WeakPolarHBondContact OG1-CB 3.11Å; T52-E54 PolarHBondContact OG1-N 2.75Å |
| 53 | F | 68.5 | Low | 81.7 | Confident | 148 Ų | 148 | 57.4 Ų | 57.4 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | trans | 54.7 | 8.1 | -169.4 | -85.8 | -90.5 | 0 | 0 | 0 | 114.4 | D49 | D49-F53 WeakPolarHBondContact O-CA 3.32Å; D49-F53 PolarHBondContact O-N 2.87Å | ||
| 54 | E | 67.6 | Low | 81.7 | Confident | 114 Ų | 114 | 58.2 Ų | 58.2 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | trans | -73.3 | 135.8 | 178.4 | -67.6 | -173.9 | 99.2 | 0 | 0 | 109.6 | D49 T52 R56 | D49-E54 PolarHBondContact N-O 3.38Å; T52-E54 PolarHBondContact O-N 2.8Å; T52-E54 WeakPolarHBondContact OG1-CB 3.11Å; T52-E54 PolarHBondContact OG1-N 2.75Å; E54-R56 PolarHBondContact O-N 2.93Å | ||
| 55 | S | 70.4 | Confident | 81.7 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 135 | 171 | -60.7 | 0 | 0 | 0 | 0 | 107.9 | Y24 G57 | Y24-S55 WeakPolarHBondContact CD1-O 3.38Å; Y24-S55 WeakPolarHBondContact CE1-O 3.37Å; Y24-S55 PolarHBondContact O-OG 3.4Å; S55-G57 PolarHBondContact O-N 2.96Å |
| 56 | R | 77.6 | Confident | 81.9 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | trans | -75.5 | 14.6 | 179.3 | -61.2 | -175.5 | 76.9 | 174.9 | 6.7 | 113.8 | E54 F58 | E54-R56 PolarHBondContact O-N 2.93Å; R56-F58 HydrophobicContact CB-CD1 3.58Å; R56-F58 HydrophobicContact CB-CE1 3.19Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; R56-F58 HydrophobicContact CG-CE1 4.12Å; R56-F58 VanDerWaalsContact O-CD1 3.27Å; R56-F58 WeakPolarHBondContact O-CD1 3.42Å; R56-F58 PolarHBondContact O-N 2.94Å | ||
| 57 | G | 85.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 71 Ų | 71 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 71.1 | 14.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N21 L22 S55 | N21-G57 PolarHBondContact N-O 3.45Å; L22-G57 PolarHBondContact N-O 2.88Å; S55-G57 PolarHBondContact O-N 2.96Å |
| 58 | F | 88.5 | Confident | 82.7 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | trans | -140.1 | 154 | 175.5 | 64.7 | -92.6 | 0 | 0 | 0 | 113.1 | V19 P47 R56 F60 | V19-F58 CarbonylContact O-C 3.6Å; V19-F58 WeakPolarHBondContact O-CA 3.17Å; V19-F58 VanDerWaalsContact O-CB 3.24Å; V19-F58 WeakPolarHBondContact O-CB 3.48Å; P47-F58 HydrophobicContact CB-CE2 4.17Å; P47-F58 HydrophobicContact CB-CZ 4.49Å; P47-F58 HydrophobicContact CG-CD2 4.13Å; P47-F58 HydrophobicContact CG-CE2 3.64Å; P47-F58 HydrophobicContact CG-CZ 4.41Å; R56-F58 HydrophobicContact CB-CD1 3.58Å; R56-F58 HydrophobicContact CB-CE1 3.19Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; R56-F58 HydrophobicContact CG-CE1 4.12Å; R56-F58 VanDerWaalsContact O-CD1 3.27Å; R56-F58 WeakPolarHBondContact O-CD1 3.42Å; R56-F58 PolarHBondContact O-N 2.94Å; F58-F60 AromaticContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CZ 4.25Å; F58-F60 AromaticContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CZ 4.21Å | ||
| 59 | A | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 161.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V19 L22 L31 I46 | V19-A59 PolarHBondContact N-O 3.42Å; V19-A59 PolarHBondContact O-N 2.78Å; L22-A59 HydrophobicContact CD1-CB 3.52Å; L31-A59 HydrophobicContact CD1-CB 3.4Å; I46-A59 HydrophobicContact CG1-CB 3.84Å |
| 60 | F | 89.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | 173.4 | -63.5 | -81.7 | 0 | 0 | 0 | 109.7 | L17 K18 I44 Y45 P47 F58 A91 | L17-F60 CarbonylContact O-C 3.5Å; L17-F60 WeakPolarHBondContact O-CA 3.3Å; K18-F60 HydrophobicContact CB-CD1 4.1Å; K18-F60 HydrophobicContact CB-CE1 3.88Å; K18-F60 HydrophobicContact CD-CE1 4.35Å; K18-F60 HydrophobicContact CG-CD1 4.29Å; K18-F60 HydrophobicContact CG-CE1 3.8Å; K18-F60 HydrophobicContact CG-CZ 4.35Å; I44-F60 CarbonylContact C-O 3.46Å; I44-F60 WeakPolarHBondContact CA-O 3.27Å; Y45-F60 AromaticContact CD1-CD2 3.94Å; Y45-F60 HydrophobicContact CD1-CD2 3.94Å; Y45-F60 PolarHBondContact N-O 3.34Å; Y45-F60 PolarHBondContact O-N 2.9Å; P47-F60 HydrophobicContact CG-CD2 3.92Å; P47-F60 HydrophobicContact CG-CE2 3.7Å; F58-F60 AromaticContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CZ 4.25Å; F58-F60 AromaticContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CZ 4.21Å; F60-A91 HydrophobicContact CD1-CB 4.1Å; F60-A91 HydrophobicContact CE1-CB 4.15Å |
| 61 | V | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | 177.1 | -179 | 0 | 0 | 0 | 0 | 107.4 | L17 V19 F35 V41 I44 Y63 | L17-V61 PolarHBondContact N-O 3.23Å; L17-V61 PolarHBondContact O-N 3.4Å; V19-V61 HydrophobicContact CG2-CG2 3.97Å; F35-V61 HydrophobicContact CB-CG1 4.14Å; F35-V61 HydrophobicContact CD1-CG1 4.21Å; F35-V61 HydrophobicContact CD1-CG2 4.48Å; F35-V61 HydrophobicContact CD2-CG2 4.06Å; F35-V61 HydrophobicContact CE2-CG2 4.23Å; F35-V61 HydrophobicContact CG-CG1 4.11Å; F35-V61 HydrophobicContact CG-CG2 4.2Å; V41-V61 HydrophobicContact CG1-CG1 3.69Å; V41-V61 HydrophobicContact CG2-CG1 4.35Å; I44-V61 HydrophobicContact CG1-CG1 4.47Å; I44-V61 HydrophobicContact CG2-CG2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.41Å; V61-Y63 HydrophobicContact CG1-CE2 3.92Å |
| 62 | R | 89.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129 | -176.2 | -54.8 | -173.2 | 68.9 | -121.8 | -12.5 | 110.1 | I11 M14 V15 S16 G42 D43 | I11-R62 VanDerWaalsContact CA-NH1 3.27Å; I11-R62 VanDerWaalsContact CA-NH2 3.33Å; I11-R62 VanDerWaalsContact CB-NH1 3.28Å; I11-R62 PolarHBondContact O-NH2 2.98Å; M14-R62 PolarHBondContact O-NH2 3.3Å; V15-R62 CarbonylContact O-C 3.54Å; V15-R62 WeakPolarHBondContact O-CA 3.27Å; S16-R62 PolarHBondContact OG-NE 3.23Å; G42-R62 PolarHBondContact N-O 2.83Å; D43-R62 HydrophobicContact CB-CB 4.15Å; D43-R62 HydrophobicContact CB-CG 4.37Å; D43-R62 PolarHBondContact N-O 2.79Å; D43-R62 PolarHBondContact O-N 3Å |
| 63 | Y | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 152.9 | 178.1 | -77 | -78.5 | 0 | 0 | 0 | 111.2 | M14 V15 L17 F35 E40 V41 V61 E68 A69 A72 | M14-Y63 CarbonylContact C-O 3.55Å; M14-Y63 WeakPolarHBondContact CA-O 3.28Å; M14-Y63 VanDerWaalsContact CB-O 3.28Å; M14-Y63 WeakPolarHBondContact CB-O 3.37Å; V15-Y63 PolarHBondContact N-O 2.87Å; V15-Y63 PolarHBondContact O-N 2.82Å; L17-Y63 HydrophobicContact CD1-CD2 3.82Å; L17-Y63 HydrophobicContact CD1-CE2 3.63Å; L17-Y63 HydrophobicContact CG-CD2 4.21Å; L17-Y63 HydrophobicContact CG-CE2 4.45Å; F35-Y63 VanDerWaalsContact CB-OH 3.28Å; F35-Y63 WeakPolarHBondContact CB-OH 3.39Å; F35-Y63 HydrophobicContact CD1-CE2 4.21Å; F35-Y63 WeakPolarHBondContact CD1-OH 3.49Å; F35-Y63 PolarHBondContact O-OH 3.36Å; E40-Y63 VanDerWaalsContact O-CD1 3.25Å; E40-Y63 WeakPolarHBondContact O-CD1 3.49Å; V41-Y63 HydrophobicContact CG2-CE1 3.95Å; V61-Y63 HydrophobicContact CG1-CD2 4.41Å; V61-Y63 HydrophobicContact CG1-CE2 3.92Å; Y63-E68 HydrophobicContact CD1-CB 3.7Å; Y63-E68 HydrophobicContact CE1-CB 4.28Å; Y63-E68 HydrophobicContact CG-CB 4.07Å; Y63-A69 HydrophobicContact CD2-CB 4.11Å; Y63-A69 HydrophobicContact CG-CB 4.45Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å |
| 64 | C | 86.4 | Confident | 87.5 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -69 | -40.1 | 175.7 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 65 | T | 88 | Confident | 88.5 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.1 | 154 | -179.3 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | R67 E68 A69 | T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 PolarHBondContact O-N 3.42Å; T65-E68 PolarHBondContact N-OE2 2.8Å; T65-E68 WeakPolarHBondContact OG1-CG 3.26Å; T65-E68 PolarHBondContact OG1-N 2.75Å; T65-E68 PolarHBondContact OG1-OE2 2.67Å; T65-A69 PolarHBondContact O-N 3.35Å |
| 66 | D | 89.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 53 Ų | 53 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 175.2 | -167.7 | -97.1 | 0 | 0 | 0 | 112.8 | V15 A69 D70 R90 | V15-D66 HydrophobicContact CG2-CB 3.96Å; D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 2.91Å; D66-D70 PolarHBondContact O-N 2.84Å; D66-R90 IonicContact OD1-CZ 3.1Å; D66-R90 IonicContact OD1-NH1 3.9Å; D66-R90 IonicContact OD1-NH2 2.73Å; D66-R90 PolarHBondContact OD1-NH2 3.01Å; D66-R90 IonicContact OD2-CZ 3.52Å; D66-R90 IonicContact OD2-NH1 2.69Å; D66-R90 PolarHBondContact OD2-NH1 3.35Å; D66-R90 IonicContact OD2-NH2 2.78Å; D66-R90 PolarHBondContact OD2-NH2 2.98Å |
| 67 | R | 91.4 | Very high | 90 | Very high | 217 Ų | 217 | 48.8 Ų | 48.8 | 82% | 0.819 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.3 | -46.3 | 178.1 | -104.4 | -165.8 | 155.9 | -159.2 | -5.3 | 112.8 | T65 A69 D70 C71 | T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 PolarHBondContact O-N 3.42Å; R67-A69 VanDerWaalsContact C-N 3.28Å; R67-A69 PolarHBondContact O-N 3.08Å; R67-D70 PolarHBondContact O-N 2.69Å; R67-C71 PolarHBondContact O-N 3.49Å |
| 68 | E | 91 | Very high | 90.1 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.9 | -67.6 | 166.8 | 124.2 | 0 | 0 | 110.8 | G39 E40 Y63 T65 C71 A72 | G39-E68 WeakPolarHBondContact CA-OE1 3.08Å; E40-E68 PolarHBondContact N-OE1 3.15Å; Y63-E68 HydrophobicContact CD1-CB 3.7Å; Y63-E68 HydrophobicContact CE1-CB 4.28Å; Y63-E68 HydrophobicContact CG-CB 4.07Å; T65-E68 PolarHBondContact N-OE2 2.8Å; T65-E68 WeakPolarHBondContact OG1-CG 3.26Å; T65-E68 PolarHBondContact OG1-N 2.75Å; T65-E68 PolarHBondContact OG1-OE2 2.67Å; E68-C71 PolarHBondContact O-N 2.88Å; E68-A72 WeakPolarHBondContact O-CB 3.45Å; E68-A72 PolarHBondContact O-N 2.79Å |
| 69 | A | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V15 L17 Y63 T65 D66 R67 A72 I73 | V15-A69 HydrophobicContact CB-CB 3.84Å; V15-A69 HydrophobicContact CG1-CB 3.45Å; V15-A69 VanDerWaalsContact CG1-CB 3.45Å; L17-A69 HydrophobicContact CD1-CB 4.31Å; L17-A69 HydrophobicContact CD2-CB 3.93Å; L17-A69 HydrophobicContact CG-CB 4.17Å; Y63-A69 HydrophobicContact CD2-CB 4.11Å; Y63-A69 HydrophobicContact CG-CB 4.45Å; T65-A69 PolarHBondContact O-N 3.35Å; D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 2.91Å; R67-A69 VanDerWaalsContact C-N 3.28Å; R67-A69 PolarHBondContact O-N 3.08Å; A69-A72 PolarHBondContact O-N 2.99Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3Å; A69-I73 PolarHBondContact O-N 2.8Å |
| 70 | D | 92.1 | Very high | 89.8 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 177 | -161.8 | -97 | 0 | 0 | 0 | 112.1 | D66 R67 A72 I73 R74 | D66-D70 PolarHBondContact O-N 2.84Å; R67-D70 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 2.96Å; D70-I73 PolarHBondContact O-N 3.23Å; D70-R74 WeakPolarHBondContact O-CG 3.25Å; D70-R74 PolarHBondContact O-N 3.21Å; D70-R74 VanDerWaalsContact OD1-CD 3.23Å; D70-R74 WeakPolarHBondContact OD1-CD 3.27Å |
| 71 | C | 92.6 | Very high | 89.4 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 51% | 0.507 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 172.9 | -98.5 | 0 | 0 | 0 | 0 | 111.9 | R67 E68 R74 G75 | R67-C71 PolarHBondContact O-N 3.49Å; E68-C71 PolarHBondContact O-N 2.88Å; C71-R74 PolarHBondContact O-N 3.24Å; C71-G75 PolarHBondContact O-N 2.76Å |
| 72 | A | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L17 F35 F38 Y63 E68 A69 D70 M76 | L17-A72 HydrophobicContact CD1-CB 3.79Å; F35-A72 HydrophobicContact CD1-CB 4.15Å; F35-A72 HydrophobicContact CE1-CB 4.37Å; F38-A72 HydrophobicContact CB-CB 3.91Å; F38-A72 HydrophobicContact CD2-CB 4.18Å; F38-A72 HydrophobicContact CG-CB 4.09Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å; E68-A72 WeakPolarHBondContact O-CB 3.45Å; E68-A72 PolarHBondContact O-N 2.79Å; A69-A72 PolarHBondContact O-N 2.99Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 2.96Å; A72-M76 VanDerWaalsContact O-CB 3.26Å; A72-M76 WeakPolarHBondContact O-CB 3.42Å; A72-M76 PolarHBondContact O-N 3.31Å |
| 73 | I | 93 | Very high | 88.6 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 14% | 0.138 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.4 | -55.7 | 173.6 | -70.2 | 161.1 | 0 | 0 | 0 | 109.6 | L17 A69 D70 G75 M76 D77 V88 R90 | L17-I73 HydrophobicContact CD1-CG1 4.13Å; L17-I73 HydrophobicContact CD2-CD1 3.47Å; L17-I73 VanDerWaalsContact CD2-CD1 3.47Å; L17-I73 HydrophobicContact CD2-CG1 3.61Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3Å; A69-I73 PolarHBondContact O-N 2.8Å; D70-I73 PolarHBondContact O-N 3.23Å; I73-G75 PolarHBondContact O-N 3Å; I73-M76 PolarHBondContact O-N 3.29Å; I73-D77 WeakPolarHBondContact O-CB 3.43Å; I73-D77 PolarHBondContact O-N 2.9Å; I73-V88 HydrophobicContact CG1-CG1 3.95Å; I73-R90 HydrophobicContact CD1-CG 3.67Å |
| 74 | R | 91.1 | Very high | 88.3 | Confident | 203 Ų | 203 | 68.4 Ų | 68.4 | 77% | 0.766 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.5 | -27.3 | -173.8 | -67.3 | 177.4 | 67.4 | 178.5 | 1.6 | 113.7 | D70 C71 | D70-R74 WeakPolarHBondContact O-CG 3.25Å; D70-R74 PolarHBondContact O-N 3.21Å; D70-R74 VanDerWaalsContact OD1-CD 3.23Å; D70-R74 WeakPolarHBondContact OD1-CD 3.27Å; C71-R74 PolarHBondContact O-N 3.24Å |
| 75 | G | 89.4 | Confident | 88.5 | Confident | 27 Ų | 27 | 71.1 Ų | 71.1 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -97.3 | -14.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R37 C71 I73 | R37-G75 PolarHBondContact NH2-O 2.85Å; C71-G75 PolarHBondContact O-N 2.76Å; I73-G75 PolarHBondContact O-N 3Å |
| 76 | M | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -116.9 | -22.4 | 179.7 | -71.9 | -61.1 | -61.4 | 0 | 0 | 114.3 | V34 F35 F38 A72 I73 G78 H79 V81 V86 V88 | V34-M76 HydrophobicContact CB-CE 4.38Å; V34-M76 HydrophobicContact CG1-CE 3.56Å; V34-M76 HydrophobicContact CG1-SD 3.71Å; F35-M76 HydrophobicContact CE1-CB 4.38Å; F35-M76 HydrophobicContact CE1-CG 4.19Å; F35-M76 HydrophobicContact CZ-CB 4.4Å; F35-M76 HydrophobicContact CZ-CG 4.34Å; F38-M76 HydrophobicContact CD2-CG 4.19Å; F38-M76 HydrophobicContact CE2-CG 3.2Å; F38-M76 HydrophobicContact CE2-SD 3.64Å; F38-M76 HydrophobicContact CZ-CG 3.49Å; F38-M76 VanDerWaalsContact CZ-CG 3.49Å; F38-M76 HydrophobicContact CZ-SD 3.86Å; A72-M76 VanDerWaalsContact O-CB 3.26Å; A72-M76 WeakPolarHBondContact O-CB 3.42Å; A72-M76 PolarHBondContact O-N 3.31Å; I73-M76 PolarHBondContact O-N 3.29Å; M76-G78 PolarHBondContact O-N 3.05Å; M76-H79 HydrophobicContact CE-CB 4.19Å; M76-H79 VanDerWaalsContact O-CB 3.27Å; M76-H79 WeakPolarHBondContact O-CB 3.21Å; M76-H79 PolarHBondContact O-N 2.95Å; M76-H79 HydrophobicContact SD-CB 4.34Å; M76-V81 HydrophobicContact CE-CG2 3.55Å; M76-V86 HydrophobicContact CE-CG2 4.07Å; M76-V86 WeakPolarHBondContact O-CG2 3.44Å; M76-V88 HydrophobicContact CB-CB 4.47Å; M76-V88 HydrophobicContact CB-CG2 3.64Å |
| 77 | D | 90.5 | Very high | 88.8 | Confident | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 121.2 | 175.8 | -167.9 | 55.2 | 0 | 0 | 0 | 109.6 | I73 R87 V88 | I73-D77 WeakPolarHBondContact O-CB 3.43Å; I73-D77 PolarHBondContact O-N 2.9Å; D77-R87 VanDerWaalsContact OD1-CA 3.3Å; D77-R87 WeakPolarHBondContact OD1-CA 3.15Å; D77-R87 WeakPolarHBondContact OD1-CG 3.42Å; D77-V88 HydrophobicContact CB-CB 4.3Å; D77-V88 PolarHBondContact OD1-N 3.18Å |
| 78 | G | 88 | Confident | 88.9 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | M76 E85 V86 | M76-G78 PolarHBondContact O-N 3.05Å; G78-E85 VanDerWaalsContact C-CG 3.47Å; G78-E85 WeakPolarHBondContact O-CG 3.42Å; G78-V86 PolarHBondContact N-O 3.3Å |
| 79 | H | 87.1 | Confident | 89 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 39% | 0.389 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142.8 | 178.1 | -156.4 | -71.3 | 0 | 0 | 0 | 111.1 | M76 V81 E85 V86 | M76-H79 HydrophobicContact CE-CB 4.19Å; M76-H79 VanDerWaalsContact O-CB 3.27Å; M76-H79 WeakPolarHBondContact O-CB 3.21Å; M76-H79 PolarHBondContact O-N 2.95Å; M76-H79 HydrophobicContact SD-CB 4.34Å; H79-V81 PolarHBondContact O-N 3.32Å; H79-E85 WeakPolarHBondContact O-CA 3.39Å; H79-V86 WeakPolarHBondContact O-CG2 3.42Å; H79-V86 PolarHBondContact O-N 2.86Å |
| 80 | K | 84.8 | Confident | 88.9 | Confident | 146 Ų | 146 | 68.6 Ų | 68.6 | 64% | 0.635 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.1 | 170.1 | -76.7 | -177.7 | 178.2 | 178.5 | 0 | 110.5 | R84 | K80-R84 CarbonylContact C-O 3.53Å; K80-R84 VanDerWaalsContact CA-O 3.28Å; K80-R84 WeakPolarHBondContact CA-O 3.45Å |
| 81 | V | 81 | Confident | 88.6 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 9% | 0.085 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.4 | 168 | -179 | 0 | 0 | 0 | 0 | 106.7 | M76 H79 G83 R84 V86 | M76-V81 HydrophobicContact CE-CG2 3.55Å; H79-V81 PolarHBondContact O-N 3.32Å; V81-G83 PolarHBondContact O-N 3.24Å; V81-G83 VanDerWaalsContact O-N 3.14Å; V81-R84 PolarHBondContact N-O 2.85Å; V81-R84 PolarHBondContact O-N 3.4Å; V81-R84 VanDerWaalsContact O-O 3.05Å; V81-V86 HydrophobicContact CB-CG1 3.67Å; V81-V86 HydrophobicContact CB-CG2 4.49Å; V81-V86 HydrophobicContact CG2-CB 4.39Å; V81-V86 HydrophobicContact CG2-CG1 3.77Å; V81-V86 HydrophobicContact CG2-CG2 3.67Å |
| 82 | D | 79.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 31.7 | 172.5 | -163.6 | -127.8 | 0 | 0 | 0 | 113.9 | A23 R25 R84 | A23-D82 HydrophobicContact CB-CB 4.19Å; A23-D82 WeakPolarHBondContact CB-OD1 3.46Å; R25-D82 WeakPolarHBondContact CD-OD1 3.34Å; R25-D82 VanDerWaalsContact CG-OD1 3.26Å; R25-D82 WeakPolarHBondContact CG-OD1 3.25Å; R25-D82 IonicContact CZ-OD1 3.22Å; R25-D82 VanDerWaalsContact CZ-OD1 3.22Å; R25-D82 IonicContact CZ-OD2 3.34Å; R25-D82 IonicContact NE-OD1 3.18Å; R25-D82 PolarHBondContact NE-OD1 2.69Å; R25-D82 IonicContact NE-OD2 3.87Å; R25-D82 PolarHBondContact NE-OD2 2.78Å; R25-D82 VanDerWaalsContact NE-OD2 3.1Å; R25-D82 PolarHBondContact NH2-O 2.95Å; R25-D82 IonicContact NH2-OD1 3.1Å; R25-D82 PolarHBondContact NH2-OD1 2.84Å; R25-D82 VanDerWaalsContact NH2-OD1 3.1Å; R25-D82 IonicContact NH2-OD2 2.77Å; R25-D82 PolarHBondContact NH2-OD2 3.05Å; D82-R84 VanDerWaalsContact C-N 3.35Å |
| 83 | G | 83.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 72% | 0.722 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -3.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | V81 | V81-G83 PolarHBondContact O-N 3.24Å; V81-G83 VanDerWaalsContact O-N 3.14Å |
| 84 | R | 84.4 | Confident | 85 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.3 | 176 | -72 | -174.1 | 161.6 | 169.8 | -3.4 | 111.6 | L22 K80 V81 D82 V86 | L22-R84 PolarHBondContact O-NH1 3.38Å; K80-R84 CarbonylContact C-O 3.53Å; K80-R84 VanDerWaalsContact CA-O 3.28Å; K80-R84 WeakPolarHBondContact CA-O 3.45Å; V81-R84 PolarHBondContact N-O 2.85Å; V81-R84 PolarHBondContact O-N 3.4Å; V81-R84 VanDerWaalsContact O-O 3.05Å; D82-R84 VanDerWaalsContact C-N 3.35Å; R84-V86 PolarHBondContact O-N 3.38Å |
| 85 | E | 90.3 | Very high | 83.6 | Confident | 110 Ų | 110 | 77 Ų | 77 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 112.3 | 176.3 | -156.3 | -179.9 | 107.6 | 0 | 0 | 109.9 | N21 G78 H79 | N21-E85 WeakPolarHBondContact CB-O 3.12Å; N21-E85 PolarHBondContact ND2-O 2.75Å; G78-E85 VanDerWaalsContact C-CG 3.47Å; G78-E85 WeakPolarHBondContact O-CG 3.42Å; H79-E85 WeakPolarHBondContact O-CA 3.39Å |
| 86 | V | 91.5 | Very high | 82.1 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 143.4 | -177.6 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | V19 D20 L22 M76 G78 H79 V81 R84 V88 | V19-V86 HydrophobicContact CG1-CB 4.13Å; D20-V86 WeakPolarHBondContact O-CA 3.23Å; L22-V86 HydrophobicContact CD2-CG1 3.61Å; L22-V86 HydrophobicContact CG-CG1 4.17Å; M76-V86 HydrophobicContact CE-CG2 4.07Å; M76-V86 WeakPolarHBondContact O-CG2 3.44Å; G78-V86 PolarHBondContact N-O 3.3Å; H79-V86 WeakPolarHBondContact O-CG2 3.42Å; H79-V86 PolarHBondContact O-N 2.86Å; V81-V86 HydrophobicContact CB-CG1 3.67Å; V81-V86 HydrophobicContact CB-CG2 4.49Å; V81-V86 HydrophobicContact CG2-CB 4.39Å; V81-V86 HydrophobicContact CG2-CG1 3.77Å; V81-V86 HydrophobicContact CG2-CG2 3.67Å; R84-V86 PolarHBondContact O-N 3.38Å; V86-V88 HydrophobicContact CG2-CG2 4.38Å |
| 87 | R | 92.3 | Very high | 80.6 | Confident | 137 Ų | 137 | 85.9 Ų | 85.9 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.9 | 175.2 | -144.9 | 169.5 | 90.4 | -176.6 | 7.4 | 109.7 | V19 D20 D77 Q89 | V19-R87 CarbonylContact C-O 3.49Å; V19-R87 WeakPolarHBondContact CA-O 3.39Å; D20-R87 HydrophobicContact CB-CB 4.23Å; D20-R87 PolarHBondContact N-O 3.3Å; D20-R87 PolarHBondContact O-N 3.19Å; D77-R87 VanDerWaalsContact OD1-CA 3.3Å; D77-R87 WeakPolarHBondContact OD1-CA 3.15Å; D77-R87 WeakPolarHBondContact OD1-CG 3.42Å; R87-Q89 VanDerWaalsContact NH2-NE2 3.16Å |
| 88 | V | 93.2 | Very high | 78.8 | Confident | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.006 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.9 | -176.7 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | L17 K18 V19 F35 I73 M76 D77 V86 | L17-V88 HydrophobicContact CB-CG1 4.34Å; L17-V88 HydrophobicContact CD1-CG1 3.96Å; K18-V88 WeakPolarHBondContact O-CA 3.22Å; V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG1 4.5Å; V19-V88 HydrophobicContact CG2-CG2 4.36Å; F35-V88 HydrophobicContact CE1-CG1 4.12Å; F35-V88 HydrophobicContact CE1-CG2 4.28Å; F35-V88 HydrophobicContact CZ-CG1 4.43Å; F35-V88 HydrophobicContact CZ-CG2 3.92Å; I73-V88 HydrophobicContact CG1-CG1 3.95Å; M76-V88 HydrophobicContact CB-CB 4.47Å; M76-V88 HydrophobicContact CB-CG2 3.64Å; D77-V88 HydrophobicContact CB-CB 4.3Å; D77-V88 PolarHBondContact OD1-N 3.18Å; V86-V88 HydrophobicContact CG2-CG2 4.38Å |
| 89 | Q | 92.2 | Very high | 76.8 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.8 | -176.6 | -59.4 | -169.4 | -20.3 | 0 | 0 | 110.9 | L17 K18 R87 A91 | L17-Q89 CarbonylContact C-O 3.59Å; L17-Q89 WeakPolarHBondContact CA-O 3.08Å; K18-Q89 PolarHBondContact N-O 3.36Å; K18-Q89 PolarHBondContact O-N 2.87Å; R87-Q89 VanDerWaalsContact NH2-NE2 3.16Å; Q89-A91 PolarHBondContact O-N 3.35Å |
| 90 | R | 90.4 | Very high | 74.9 | Confident | 123 Ų | 123 | 99.1 Ų | 99.1 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 128.9 | 168.2 | -77.4 | -166 | -171.6 | -152.6 | -0.2 | 110.2 | L17 D66 I73 K92 | L17-R90 HydrophobicContact CD2-CG 4.33Å; D66-R90 IonicContact OD1-CZ 3.1Å; D66-R90 IonicContact OD1-NH1 3.9Å; D66-R90 IonicContact OD1-NH2 2.73Å; D66-R90 PolarHBondContact OD1-NH2 3.01Å; D66-R90 IonicContact OD2-CZ 3.52Å; D66-R90 IonicContact OD2-NH1 2.69Å; D66-R90 PolarHBondContact OD2-NH1 3.35Å; D66-R90 IonicContact OD2-NH2 2.78Å; D66-R90 PolarHBondContact OD2-NH2 2.98Å; I73-R90 HydrophobicContact CD1-CG 3.67Å; R90-K92 PolarHBondContact O-N 2.93Å |
| 91 | A | 85.6 | Confident | 73.2 | Confident | 22 Ų | 22 | 101.8 Ų | 101.8 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | trans | -74.8 | 119.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S16 K18 F60 Q89 Y93 | S16-A91 VanDerWaalsContact O-CB 3.32Å; S16-A91 WeakPolarHBondContact O-CB 2.99Å; S16-A91 PolarHBondContact O-N 3.48Å; K18-A91 HydrophobicContact CB-CB 4.27Å; F60-A91 HydrophobicContact CD1-CB 4.1Å; F60-A91 HydrophobicContact CE1-CB 4.15Å; Q89-A91 PolarHBondContact O-N 3.35Å; A91-Y93 PolarHBondContact O-N 2.97Å | ||
| 92 | K | 72.8 | Confident | 71.5 | Confident | 189 Ų | 189 | 112 Ų | 112 | 82% | 0.822 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -70.2 | -17.6 | 175.4 | -77.9 | -175.4 | 174.2 | -178.2 | 0 | 113.7 | R90 | R90-K92 PolarHBondContact O-N 2.93Š|
| 93 | Y | 66.8 | Low | 69.9 | Low | 190 Ų | 190 | 119.6 Ų | 119.6 | 75% | 0.745 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -126.4 | 129.4 | -172.2 | -52.4 | -68.6 | 0 | 0 | 0 | 110.1 | A91 | A91-Y93 PolarHBondContact O-N 2.97Š|
| 94 | G | 62.2 | Low | 68.1 | Low | 53 Ų | 53 | 121 Ų | 121 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | trans | -63 | 163.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 95 | R | 61.6 | Low | 66.7 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 34% | 0.336 | 57% | 0.574 | S | S | . | * | trans | -49.8 | 126.6 | 179 | -160.9 | -178.8 | -165 | -149.1 | 6.2 | 108.8 | I11 Y45 T97 | I11-R95 HydrophobicContact CD1-CB 4.2Å; Y45-R95 HydrophobicContact CD1-CG 4.33Å; Y45-R95 HydrophobicContact CE1-CG 4.44Å; Y45-R95 VanDerWaalsContact CE2-NH2 3.34Å; R95-T97 PolarHBondContact O-N 3.25Å | ||
| 96 | P | 57.2 | Low | 64.8 | Low | 100 Ų | 100 | 121.5 Ų | 121.5 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | trans | -60.1 | 104.7 | 177.7 | 22.6 | -30.9 | 0 | 0 | 0 | 107.2 | P98 | P96-P98 WeakPolarHBondContact O-CD 3.39Š| ||
| 97 | T | 59.2 | Low | 62.7 | Low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | trans | -65 | 121.7 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 105.2 | R95 N99 | R95-T97 PolarHBondContact O-N 3.25Å; T97-N99 PolarHBondContact O-N 3.13Å | ||
| 98 | P | 51.7 | Low | 60.5 | Low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | trans | -57.8 | 112.1 | 176.5 | 24 | -31.3 | 0 | 0 | 0 | 105.6 | P96 R100 | P96-P98 WeakPolarHBondContact O-CD 3.39Å; P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.41Å | ||
| 99 | N | 45.3 | Very low | 58 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | trans | -8.1 | 86.4 | 177.2 | -169.8 | 10.1 | 0 | 0 | 0 | 110.8 | T97 R101 | T97-N99 PolarHBondContact O-N 3.13Å; N99-R101 PolarHBondContact O-N 3.25Å; N99-R101 WeakPolarHBondContact OD1-CA 3.07Å; N99-R101 PolarHBondContact OD1-N 3.28Å | ||
| 100 | R | 48.7 | Very low | 55.5 | Low | 228 Ų | 228 | 146.2 Ų | 146.2 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -67.4 | 81.8 | 155.8 | -165.3 | -177.3 | -165.6 | -170.8 | 5.2 | 100.3 | P98 R102 | P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.41Å; R100-R102 PolarHBondContact O-N 3.03Å | ||
| 101 | R | 47.6 | Very low | 53.3 | Low | 203 Ų | 203 | 143.3 Ų | 143.3 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | -38.7 | 105.9 | 166.7 | -78.8 | -176.7 | 170 | -165.5 | -2.3 | 100.7 | N99 R103 | N99-R101 PolarHBondContact O-N 3.25Å; N99-R101 WeakPolarHBondContact OD1-CA 3.07Å; N99-R101 PolarHBondContact OD1-N 3.28Å; R101-R103 PolarHBondContact O-N 2.98Å | ||
| 102 | R | 46.2 | Very low | 51.2 | Low | 227 Ų | 227 | 154 Ų | 154 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | -48.1 | 111 | 163.3 | -87.1 | 178.4 | 160.4 | -125.3 | 0.7 | 99.8 | R100 S104 | R100-R102 PolarHBondContact O-N 3.03Å; R102-S104 PolarHBondContact O-N 3.16Å | ||
| 103 | R | 46 | Very low | 49.7 | Very low | 229 Ų | 229 | 153.6 Ų | 153.6 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -53.3 | 88 | 148.9 | -83 | -178.7 | 179 | -167.8 | -0.4 | 100.9 | R101 V105 | R101-R103 PolarHBondContact O-N 2.98Å; R103-V105 HydrophobicContact CB-CG2 3.96Å; R103-V105 PolarHBondContact O-N 3.17Å | ||
| 104 | S | 45.9 | Very low | 48.5 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -54.7 | 81.1 | 138.8 | -54.2 | 0 | 0 | 0 | 0 | 101.6 | R102 T106 | R102-S104 PolarHBondContact O-N 3.16Å; S104-T106 PolarHBondContact O-N 3.5Å | ||
| 105 | V | 53.1 | Low | 47.5 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | -55.2 | 90.7 | 148.9 | -178.2 | 0 | 0 | 0 | 0 | 99.8 | R103 P107 | R103-V105 HydrophobicContact CB-CG2 3.96Å; R103-V105 PolarHBondContact O-N 3.17Å; V105-P107 VanDerWaalsContact O-CD 3.28Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å | ||
| 106 | T | 52.4 | Low | 46.2 | Very low | 105 Ų | 105 | 156.7 Ų | 156.7 | 64% | 0.644 | 76% | 0.76 | S | S | * | * | trans | -43.7 | 116.5 | 158.9 | 37.7 | 0 | 0 | 0 | 0 | 103 | S104 R108 | S104-T106 PolarHBondContact O-N 3.5Å; T106-R108 PolarHBondContact O-N 3.37Å | ||
| 107 | P | 47.5 | Very low | 45.4 | Very low | 104 Ų | 104 | 159.6 Ų | 159.6 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -54.4 | 118.8 | 172.9 | -12.8 | 23.3 | 0 | 0 | 0 | 103.6 | V105 R109 | V105-P107 VanDerWaalsContact O-CD 3.28Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å; P107-R109 HydrophobicContact CB-CB 3.99Å; P107-R109 PolarHBondContact O-N 3.14Å | ||
| 108 | R | 44.8 | Very low | 44.7 | Very low | 252 Ų | 252 | 160 Ų | 160 | 95% | 0.951 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 80.4 | 165.7 | -65.5 | -175.7 | 104.9 | 173.7 | 6 | 105 | T106 | T106-R108 PolarHBondContact O-N 3.37Š| ||
| 109 | R | 40.6 | Very low | 44.2 | Very low | 218 Ų | 218 | 158.2 Ų | 158.2 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | -134.3 | 72.5 | -175.8 | -160.4 | -177.4 | -164.6 | -152.9 | 3.6 | 107.9 | P107 | P107-R109 HydrophobicContact CB-CB 3.99Å; P107-R109 PolarHBondContact O-N 3.14Å | ||
| 110 | N | 41.1 | Very low | 43.9 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 170.1 | 122 | 141.6 | -107.9 | -2.6 | 0 | 0 | 0 | 108.5 | ||
| 111 | G | 43.1 | Very low | 43.5 | Very low | 61 Ų | 61 | 156.1 Ų | 156.1 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | cis | -167.3 | 140.1 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108 | R113 | G111-R113 PolarHBondContact O-N 3Š| ||
| 112 | R | 42.2 | Very low | 43.1 | Very low | 247 Ų | 247 | 152.1 Ų | 152.1 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -62.1 | 84.8 | 153.4 | -68.8 | -176.1 | 179.5 | -162 | -0.1 | 106.1 | S114 | R112-S114 PolarHBondContact O-N 2.77Š| ||
| 113 | R | 41.1 | Very low | 42.6 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 68% | 0.683 | 76% | 0.755 | S | S | * | * | trans | -82.2 | 73.1 | 172.8 | -161.4 | -179.1 | -148.1 | -177.2 | 12.2 | 106.9 | G111 R115 | G111-R113 PolarHBondContact O-N 3Å; R113-R115 HydrophobicContact CG-CG 3.87Å; R113-R115 VanDerWaalsContact NE-NE 3.1Å; R113-R115 VanDerWaalsContact NH2-NH1 3.19Å; R113-R115 PolarHBondContact O-N 3.36Å | ||
| 114 | S | 41.5 | Very low | 42.1 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 86.4 | 161.4 | -50.3 | 0 | 0 | 0 | 0 | 106.8 | R112 S116 | R112-S114 PolarHBondContact O-N 2.77Å; S114-S116 PolarHBondContact O-N 3.1Å | ||
| 115 | R | 41 | Very low | 41.8 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | trans | -94.9 | 79.3 | 167.6 | -87.5 | 176.6 | 172.7 | -171.2 | -7.7 | 108.2 | R113 F117 | R113-R115 HydrophobicContact CG-CG 3.87Å; R113-R115 VanDerWaalsContact NE-NE 3.1Å; R113-R115 VanDerWaalsContact NH2-NH1 3.19Å; R113-R115 PolarHBondContact O-N 3.36Å; R115-F117 VanDerWaalsContact C-N 3.25Å; R115-F117 PolarHBondContact O-N 2.61Å; R115-F117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | S | 35 | Very low | 41.3 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -70.5 | 91.5 | 151.5 | -24.6 | 0 | 0 | 0 | 0 | 106.2 | S114 | S114-S116 PolarHBondContact O-N 3.1Š| ||
| 117 | F | 39.9 | Very low | 40.7 | Very low | 161 Ų | 161 | 159.5 Ų | 159.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -134.6 | 95.7 | 161.3 | 178.8 | -95.2 | 0 | 0 | 0 | 106.9 | R115 S119 | R115-F117 VanDerWaalsContact C-N 3.25Å; R115-F117 PolarHBondContact O-N 2.61Å; R115-F117 VanDerWaalsContact O-N 3.15Å; F117-S119 WeakPolarHBondContact CE1-OG 3.49Å; F117-S119 WeakPolarHBondContact CZ-OG 3.26Å; F117-S119 PolarHBondContact O-N 2.77Å | ||
| 118 | S | 43.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 165.2 Ų | 165.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 110.9 | 161.9 | -52.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 119 | S | 41.2 | Very low | 39.9 | Very low | 85 Ų | 85 | 162.6 Ų | 162.6 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | 176.4 | 146.3 | 140 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | F117 | F117-S119 WeakPolarHBondContact CE1-OG 3.49Å; F117-S119 WeakPolarHBondContact CZ-OG 3.26Å; F117-S119 PolarHBondContact O-N 2.77Å | ||
| 120 | G | 40.4 | Very low | 39.8 | Very low | 63 Ų | 63 | 158.9 Ų | 158.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | 98.4 | 95.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 121 | R | 38.9 | Very low | 40 | Very low | 246 Ų | 246 | 155.3 Ų | 155.3 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | 53.3 | 103.5 | 100.6 | -71.4 | -178.4 | -166.6 | -176 | 3.9 | 112 | |||||
| 122 | D | 39.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | 169.3 | 115.1 | 104.9 | -150.7 | -112.7 | 0 | 0 | 0 | 110.7 | |||||
| 123 | R | 37 | Very low | 39.5 | Very low | 216 Ų | 216 | 161.2 Ų | 161.2 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | 48.5 | 93.2 | 139.9 | -56.4 | 176 | -146.9 | -166.6 | 0.1 | 118.7 | ||||
| 124 | R | 33.7 | Very low | 39.6 | Very low | 246 Ų | 246 | 162.9 Ų | 162.9 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -121.1 | 94.4 | 142.1 | -88.8 | -172.1 | -175.6 | -154.9 | 1.1 | 110.8 | ||||
| 125 | S | 41.1 | Very low | 39.7 | Very low | 117 Ų | 117 | 166 Ų | 166 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -135.3 | 121.9 | 140.4 | -74.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 126 | P | 42.4 | Very low | 40 | Very low | 129 Ų | 129 | 162.4 Ų | 162.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -137.2 | 155 | 114.1 | 27.5 | -9.7 | 0 | 0 | 0 | 113.9 | |||||
| 127 | R | 39.2 | Very low | 40.4 | Very low | 216 Ų | 216 | 162.9 Ų | 162.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 149.8 | -172.4 | -67.7 | 172.1 | 169.7 | -171.1 | -3.3 | 111.7 | ||||
| 128 | R | 41.5 | Very low | 40.9 | Very low | 224 Ų | 224 | 160.3 Ų | 160.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 62.9 | 99.6 | 138.2 | -66.3 | 174.3 | -172 | -145.9 | 1.7 | 117.3 | N130 | R128-N130 PolarHBondContact O-N 3.1Š| ||
| 129 | M | 34.1 | Very low | 41 | Very low | 198 Ų | 198 | 160 Ų | 160 | 98% | 0.975 | 79% | 0.786 | S | S | * | * | trans | -56.1 | 117 | 134.4 | -81.1 | 178.6 | 147.4 | 0 | 0 | 108.1 | ||||
| 130 | N | 39.3 | Very low | 40.7 | Very low | 139 Ų | 139 | 167.2 Ų | 167.2 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | 175.9 | 122.6 | 121.2 | -164.6 | 16.8 | 0 | 0 | 0 | 108.3 | R128 | R128-N130 PolarHBondContact O-N 3.1Š| |||
| 131 | D | 44.1 | Very low | 40.6 | Very low | 96 Ų | 96 | 173 Ų | 173 | 51% | 0.513 | 81% | 0.809 | S | S | . | * | trans | 141.3 | 128.7 | 146.1 | -85 | -153.5 | 0 | 0 | 0 | 110.5 | ||||
| 132 | R | 40 | Very low | 40.3 | Very low | 191 Ų | 191 | 171 Ų | 171 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | -171.8 | 145.4 | -1 | -118.6 | 173.4 | -141.5 | 169.1 | 22.7 | 105.6 | R134 | R132-R134 PolarHBondContact O-N 3.49Š| ||
| 133 | Y | 34.4 | Very low | 40.4 | Very low | 241 Ų | 241 | 169.2 Ų | 169.2 | 95% | 0.945 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 91 | 151.1 | -70 | -90.6 | 0 | 0 | 0 | 108.1 | ||||
| 134 | R | 43.2 | Very low | 40.7 | Very low | 216 Ų | 216 | 170 Ų | 170 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -161.2 | 90.9 | 156 | -119.6 | -178.6 | -166.9 | -163 | 3.4 | 109.9 | R132 | R132-R134 PolarHBondContact O-N 3.49Š| ||
| 135 | L | 43.5 | Very low | 41.2 | Very low | 168 Ų | 168 | 162.9 Ų | 162.9 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 48.4 | 148.3 | 139.5 | -61.6 | 171.2 | 0 | 0 | 0 | 121.5 | ||||
| 136 | P | 47.9 | Very low | 41.6 | Very low | 103 Ų | 103 | 165.3 Ų | 165.3 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -98.9 | 162.2 | -157.7 | 38.7 | -31.7 | 0 | 0 | 0 | 113.5 | ||||
| 137 | S | 43.2 | Very low | 41.8 | Very low | 127 Ų | 127 | 164.3 Ų | 164.3 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -143 | 110.7 | 152.4 | -74.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 138 | S | 50.3 | Low | 42.4 | Very low | 107 Ų | 107 | 165.6 Ų | 165.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -58.7 | -172 | 169.2 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | P | 45.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 162.2 Ų | 162.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | -133.5 | 170.3 | -56.8 | 34.5 | -17.8 | 0 | 0 | 0 | 113.4 | |||||
| 140 | R | 36.2 | Very low | 43.5 | Very low | 237 Ų | 237 | 163.2 Ų | 163.2 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -4 | 129.7 | 152.3 | -69.9 | 176.3 | 177.5 | -167 | -2.2 | 118.7 | ||||
| 141 | H | 37.1 | Very low | 44.1 | Very low | 183 Ų | 183 | 171.7 Ų | 171.7 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -135.4 | 113.4 | 142.1 | -94.2 | -103.6 | 0 | 0 | 0 | 107.1 | ||||
| 142 | Y | 32.6 | Very low | 44.1 | Very low | 205 Ų | 205 | 175.5 Ų | 175.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 55.4 | 121.2 | 95.4 | -152.7 | -109.1 | 0 | 0 | 0 | 111 | |||||
| 143 | S | 42 | Very low | 44.3 | Very low | 82 Ų | 82 | 174.6 Ų | 174.6 | 57% | 0.573 | 82% | 0.823 | S | S | * | * | 178.8 | 147.9 | 59.2 | -17.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 144 | R | 43.8 | Very low | 44.9 | Very low | 233 Ų | 233 | 170.9 Ų | 170.9 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 157.8 | 108.8 | 126.6 | -93.8 | 175.5 | 166.9 | 161.6 | -3.4 | 108.7 | |||||
| 145 | S | 44.1 | Very low | 45 | Very low | 96 Ų | 96 | 168.3 Ų | 168.3 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | 92.4 | 149.6 | 72.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 146 | L | 48.9 | Very low | 45.1 | Very low | 168 Ų | 168 | 168.3 Ų | 168.3 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | 102.1 | 115.3 | 174 | -56.8 | 175 | 0 | 0 | 0 | 111.9 | ||||
| 147 | S | 47.7 | Very low | 44.9 | Very low | 108 Ų | 108 | 172.7 Ų | 172.7 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | cis | -156.8 | 140.4 | 19.8 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 148 | R | 51.4 | Low | 45 | Very low | 243 Ų | 243 | 175.9 Ų | 175.9 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -60.1 | 150 | 154.5 | -81.5 | 174.8 | 165.9 | -162.6 | -5 | 108.7 | ||||
| 149 | E | 52.2 | Low | 44.6 | Very low | 153 Ų | 153 | 181.2 Ų | 181.2 | 72% | 0.715 | 82% | 0.822 | S | S | * | * | 178.5 | 138.6 | 111.7 | -166.2 | 149.9 | 121.6 | 0 | 0 | 113.1 | |||||
| 150 | R | 45.6 | Very low | 44.5 | Very low | 218 Ų | 218 | 186.9 Ų | 186.9 | 82% | 0.823 | 83% | 0.83 | S | S | * | * | trans | 63.2 | 126.2 | 160.1 | -73.5 | 159.4 | -174.3 | -101.7 | -7.1 | 117.2 | ||||
| 151 | R | 52.8 | Low | 45.3 | Very low | 317 Ų | 317 | 182.4 Ų | 182.4 | 100% | 1.196 | 82% | 0.824 | S | S | * | * | -165 | 0 | 50.6 | -158.6 | 179.7 | -169.3 | -179.2 | 2.5 | 110.1 |
Retrieved 151 of 151 residues in 38.4 ms
(Link to these results)