| 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 | 64.2 | Low | 62.7 | Low | 164 Ų | 164 | 130.5 Ų | 130.5 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | 0 | 123.9 | 0 | -123.4 | 176 | -149.2 | 0 | 0 | 106.5 | P13 Y24 C25 | M1-P13 HydrophobicContact SD-CG 4.13Å; M1-Y24 WeakPolarHBondContact O-CA 2.99Å; M1-C25 HydrophobicContact CB-CB 4.37Å; M1-C25 PolarHBondContact O-N 2.79Å | |||
| 2 | E | 65.8 | Low | 63.7 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 67% | 0.673 | 57% | 0.567 | S | S | * | * | B | Isolated β-bridge | trans | -84.9 | 145.7 | -179.7 | -70.2 | 167.7 | 174.5 | 0 | 0 | 109.9 | E23 Y24 | E2-E23 CarbonylContact C-O 3.56Å; E2-E23 VanDerWaalsContact CA-O 3.32Å; E2-E23 WeakPolarHBondContact CA-O 3.28Å; E2-Y24 HydrophobicContact CB-CE1 4.48Å; E2-Y24 HydrophobicContact CG-CD1 3.73Å; E2-Y24 HydrophobicContact CG-CE1 3.22Å; E2-Y24 PolarHBondContact OE1-OH 3Å |
| 3 | C | 78.9 | Confident | 64.4 | Low | 7 Ų | 7 | 116 Ų | 116 | 5% | 0.047 | 55% | 0.548 | C | S | . | . | trans | -138.5 | 142.4 | -177.6 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | C18 E23 | C3-C18 HydrophobicContact CB-CB 3.83Å; C3-C18 WeakPolarHBondContact CB-SG 3.03Å; C3-C18 WeakPolarHBondContact SG-CA 3.42Å; C3-C18 WeakPolarHBondContact SG-CB 3.49Å; C3-C18 CovalentContact SG-SG 2.02Å; C3-C18 PolarHBondContact SG-SG 3.47Å; C3-E23 PolarHBondContact N-O 2.96Å; C3-E23 WeakPolarHBondContact O-CB 3.3Å; C3-E23 VanDerWaalsContact SG-C 3.57Å | ||
| 4 | D | 71.5 | Confident | 64.8 | Low | 78 Ų | 78 | 115.6 Ų | 115.6 | 42% | 0.417 | 56% | 0.56 | S | S | . | * | trans | -101.1 | 119.3 | -179.6 | -179.2 | 1.7 | 0 | 0 | 0 | 111.5 | R6 G7 | D4-R6 PolarHBondContact O-N 2.67Å; D4-R6 WeakPolarHBondContact OD1-CB 3.19Å; D4-R6 PolarHBondContact OD1-N 2.85Å; D4-G7 PolarHBondContact O-N 3.02Å; D4-G7 VanDerWaalsContact O-N 3.14Å | ||
| 5 | I | 63 | Low | 64.9 | Low | 90 Ų | 90 | 115.6 Ų | 115.6 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -23.8 | 179.8 | -35.5 | 160.4 | 0 | 0 | 0 | 111.7 | P20 E23 | I5-P20 VanDerWaalsContact CD1-CA 3.46Å; I5-P20 HydrophobicContact CD1-CB 3.87Å; I5-P20 VanDerWaalsContact CD1-O 3.28Å; I5-P20 WeakPolarHBondContact CD1-O 3.42Å; I5-P20 HydrophobicContact CG1-CB 4.46Å; I5-P20 HydrophobicContact CG2-CB 4.44Å; I5-E23 HydrophobicContact CD1-CG 4.01Å; I5-E23 HydrophobicContact CG1-CG 4.22Å |
| 6 | R | 63.8 | Low | 65.5 | Low | 243 Ų | 243 | 113.8 Ų | 113.8 | 92% | 0.917 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -14.1 | 177 | -66.6 | 180 | 162.6 | -175.4 | -3.5 | 112.7 | D4 | D4-R6 PolarHBondContact O-N 2.67Å; D4-R6 WeakPolarHBondContact OD1-CB 3.19Å; D4-R6 PolarHBondContact OD1-N 2.85Å |
| 7 | G | 55.8 | Low | 66.2 | Low | 24 Ų | 24 | 112.9 Ų | 112.9 | 25% | 0.247 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -91 | 154 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D4 R9 | D4-G7 PolarHBondContact O-N 3.02Å; D4-G7 VanDerWaalsContact O-N 3.14Å; G7-R9 PolarHBondContact O-N 2.88Å |
| 8 | H | 48.4 | Very low | 66.5 | Low | 184 Ų | 184 | 108.9 Ų | 108.9 | 85% | 0.852 | 53% | 0.528 | S | S | * | . | trans | -43.9 | 132 | -176.2 | -85.3 | -92 | 0 | 0 | 0 | 114.1 | N10 | H8-N10 PolarHBondContact O-N 3Š| ||
| 9 | R | 51.3 | Low | 67 | Low | 250 Ų | 250 | 104.9 Ų | 104.9 | 94% | 0.943 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -44 | 3 | -170.4 | -102.1 | 179 | 176.8 | 179.8 | -2.1 | 120.7 | G7 | G7-R9 PolarHBondContact O-N 2.88Š|
| 10 | N | 57.9 | Low | 67.2 | Low | 151 Ų | 151 | 104 Ų | 104 | 81% | 0.807 | 51% | 0.512 | S | S | * | . | trans | -132.4 | 39 | -169.2 | -64 | -12 | 0 | 0 | 0 | 113.4 | H8 | H8-N10 PolarHBondContact O-N 3Š| ||
| 11 | Q | 69.4 | Low | 67.4 | Low | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | trans | -81.8 | -22.8 | 176.2 | -68.8 | -179.1 | 29 | 0 | 0 | 113.5 | ||||
| 12 | C | 74.2 | Confident | 68 | Low | 24 Ų | 24 | 105.6 Ų | 105.6 | 16% | 0.162 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -82.3 | 146.6 | 177.5 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | C25 | C12-C25 WeakPolarHBondContact CA-SG 3.03Å; C12-C25 HydrophobicContact CB-CB 3.86Å; C12-C25 WeakPolarHBondContact CB-SG 3.32Å; C12-C25 WeakPolarHBondContact SG-CB 3.49Å; C12-C25 CovalentContact SG-SG 2.05Å; C12-C25 PolarHBondContact SG-SG 2.63Å |
| 13 | P | 73 | Confident | 68.6 | Low | 48 Ų | 48 | 103.7 Ų | 103.7 | 31% | 0.312 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 158.5 | 170.1 | -22.3 | 32.2 | 0 | 0 | 0 | 111.7 | M1 N15 Y16 | M1-P13 HydrophobicContact SD-CG 4.13Å; P13-N15 PolarHBondContact O-N 3.42Å; P13-Y16 HydrophobicContact CB-CD2 4.01Å; P13-Y16 HydrophobicContact CB-CE2 4.38Å; P13-Y16 PolarHBondContact O-N 2.89Å |
| 14 | P | 70.1 | Confident | 68.6 | Low | 111 Ų | 111 | 108.7 Ų | 108.7 | 72% | 0.721 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 134.3 | 174 | -21.2 | 31.8 | 0 | 0 | 0 | 111.7 | ||
| 15 | N | 66 | Low | 68.9 | Low | 115 Ų | 115 | 105.9 Ų | 105.9 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 18.4 | -175.2 | -44 | -52.6 | 0 | 0 | 0 | 116.6 | P13 | P13-N15 PolarHBondContact O-N 3.42Š|
| 16 | Y | 74.7 | Confident | 69.3 | Low | 87 Ų | 87 | 103.6 Ų | 103.6 | 34% | 0.341 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.3 | 171.8 | -66.9 | -116.2 | 0 | 0 | 0 | 108.5 | P13 C25 C26 E27 | P13-Y16 HydrophobicContact CB-CD2 4.01Å; P13-Y16 HydrophobicContact CB-CE2 4.38Å; P13-Y16 PolarHBondContact O-N 2.89Å; Y16-C25 HydrophobicContact CD1-CB 4.42Å; Y16-C26 VanDerWaalsContact CA-O 3.24Å; Y16-C26 WeakPolarHBondContact CA-O 3.17Å; Y16-C26 WeakPolarHBondContact CB-O 3.45Å; Y16-C26 WeakPolarHBondContact CD1-O 3.31Å; Y16-E27 HydrophobicContact CD1-CB 4.46Å; Y16-E27 HydrophobicContact CD1-CG 3.67Å; Y16-E27 HydrophobicContact CE1-CB 4.16Å; Y16-E27 HydrophobicContact CE1-CG 2.96Å; Y16-E27 WeakPolarHBondContact CE1-OE1 3Å; Y16-E27 HydrophobicContact CE2-CG 4.28Å; Y16-E27 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E27 WeakPolarHBondContact OH-CG 3.48Å; Y16-E27 PolarHBondContact OH-OE1 3.02Å |
| 17 | F | 77.6 | Confident | 69.5 | Low | 99 Ų | 99 | 97.1 Ų | 97.1 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 150.5 | 171.3 | 71 | -86 | 0 | 0 | 0 | 110.5 | D19 C25 C26 D28 | F17-D19 HydrophobicContact CE2-CB 4.14Å; F17-D19 PolarHBondContact O-N 2.79Å; F17-C25 WeakPolarHBondContact O-CA 2.98Å; F17-C26 HydrophobicContact CE1-CB 4Å; F17-C26 HydrophobicContact CE2-CB 4.39Å; F17-C26 HydrophobicContact CZ-CB 3.91Å; F17-C26 PolarHBondContact N-O 3.26Å; F17-C26 PolarHBondContact O-N 3.47Å; F17-D28 WeakPolarHBondContact CD1-OD1 3.41Å; F17-D28 WeakPolarHBondContact CE1-OD1 3.48Å |
| 18 | C | 72.4 | Confident | 69.7 | Low | 40 Ų | 40 | 100 Ų | 100 | 27% | 0.27 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.2 | 173.5 | -173 | 0 | 0 | 0 | 0 | 108.9 | C3 P20 | C3-C18 HydrophobicContact CB-CB 3.83Å; C3-C18 WeakPolarHBondContact CB-SG 3.03Å; C3-C18 WeakPolarHBondContact SG-CA 3.42Å; C3-C18 WeakPolarHBondContact SG-CB 3.49Å; C3-C18 CovalentContact SG-SG 2.02Å; C3-C18 PolarHBondContact SG-SG 3.47Å; C18-P20 WeakPolarHBondContact O-CD 3.42Å |
| 19 | D | 75.1 | Confident | 69.3 | Low | 34 Ų | 34 | 97.8 Ų | 97.8 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | trans | -71 | 117.7 | 176.1 | 175 | 4.6 | 0 | 0 | 0 | 109.6 | F17 R21 T22 E23 Y24 | F17-D19 HydrophobicContact CE2-CB 4.14Å; F17-D19 PolarHBondContact O-N 2.79Å; D19-R21 PolarHBondContact O-N 3.02Å; D19-R21 VanDerWaalsContact O-N 3.11Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 PolarHBondContact OD1-N 2.89Å; D19-T22 WeakPolarHBondContact CB-OG1 3.41Å; D19-T22 VanDerWaalsContact CG-OG1 3.32Å; D19-T22 PolarHBondContact O-N 3.35Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.4Å; D19-T22 PolarHBondContact OD2-OG1 3.12Å; D19-E23 WeakPolarHBondContact O-CA 3.17Å; D19-E23 PolarHBondContact O-N 3.39Å; D19-Y24 PolarHBondContact N-O 2.93Å | ||
| 20 | P | 70.3 | Confident | 69 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.8 | -177.9 | 29.2 | -36.4 | 0 | 0 | 0 | 114.1 | I5 C18 | I5-P20 VanDerWaalsContact CD1-CA 3.46Å; I5-P20 HydrophobicContact CD1-CB 3.87Å; I5-P20 VanDerWaalsContact CD1-O 3.28Å; I5-P20 WeakPolarHBondContact CD1-O 3.42Å; I5-P20 HydrophobicContact CG1-CB 4.46Å; I5-P20 HydrophobicContact CG2-CB 4.44Å; C18-P20 WeakPolarHBondContact O-CD 3.42Å |
| 21 | R | 71.5 | Confident | 68.1 | Low | 233 Ų | 233 | 93.3 Ų | 93.3 | 88% | 0.879 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -33.5 | 178.3 | -68.7 | -178.4 | 172.1 | 173.2 | -1 | 113.2 | D19 | D19-R21 PolarHBondContact O-N 3.02Å; D19-R21 VanDerWaalsContact O-N 3.11Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 PolarHBondContact OD1-N 2.89Å |
| 22 | T | 78.4 | Confident | 66.6 | Low | 69 Ų | 69 | 92 Ų | 92 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -13.9 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | D19 Y24 | D19-T22 WeakPolarHBondContact CB-OG1 3.41Å; D19-T22 VanDerWaalsContact CG-OG1 3.32Å; D19-T22 PolarHBondContact O-N 3.35Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.4Å; D19-T22 PolarHBondContact OD2-OG1 3.12Å; T22-Y24 WeakPolarHBondContact O-CD2 2.97Å; T22-Y24 WeakPolarHBondContact O-CE2 3.38Å; T22-Y24 PolarHBondContact O-N 2.04Å |
| 23 | E | 77.5 | Confident | 64.9 | Low | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | trans | 58.1 | 28.6 | -176.8 | -62.2 | -174.7 | 164.9 | 0 | 0 | 112.7 | E2 C3 I5 D19 | E2-E23 CarbonylContact C-O 3.56Å; E2-E23 VanDerWaalsContact CA-O 3.32Å; E2-E23 WeakPolarHBondContact CA-O 3.28Å; C3-E23 PolarHBondContact N-O 2.96Å; C3-E23 WeakPolarHBondContact O-CB 3.3Å; C3-E23 VanDerWaalsContact SG-C 3.57Å; I5-E23 HydrophobicContact CD1-CG 4.01Å; I5-E23 HydrophobicContact CG1-CG 4.22Å; D19-E23 WeakPolarHBondContact O-CA 3.17Å; D19-E23 PolarHBondContact O-N 3.39Å | ||
| 24 | Y | 79.6 | Confident | 63.4 | Low | 112 Ų | 112 | 107.9 Ų | 107.9 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | B | Isolated β-bridge | trans | -112.8 | 146.8 | 173.3 | -71.3 | -77.7 | 0 | 0 | 0 | 111.2 | M1 E2 D19 T22 C26 | M1-Y24 WeakPolarHBondContact O-CA 2.99Å; E2-Y24 HydrophobicContact CB-CE1 4.48Å; E2-Y24 HydrophobicContact CG-CD1 3.73Å; E2-Y24 HydrophobicContact CG-CE1 3.22Å; E2-Y24 PolarHBondContact OE1-OH 3Å; D19-Y24 PolarHBondContact N-O 2.93Å; T22-Y24 WeakPolarHBondContact O-CD2 2.97Å; T22-Y24 WeakPolarHBondContact O-CE2 3.38Å; T22-Y24 PolarHBondContact O-N 2.04Å; Y24-C26 PolarHBondContact O-N 3.33Å |
| 25 | C | 76.8 | Confident | 61.9 | Low | 20 Ų | 20 | 114 Ų | 114 | 14% | 0.135 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 113.1 | 169.2 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | M1 C12 Y16 F17 | M1-C25 HydrophobicContact CB-CB 4.37Å; M1-C25 PolarHBondContact O-N 2.79Å; C12-C25 WeakPolarHBondContact CA-SG 3.03Å; C12-C25 HydrophobicContact CB-CB 3.86Å; C12-C25 WeakPolarHBondContact CB-SG 3.32Å; C12-C25 WeakPolarHBondContact SG-CB 3.49Å; C12-C25 CovalentContact SG-SG 2.05Å; C12-C25 PolarHBondContact SG-SG 2.63Å; Y16-C25 HydrophobicContact CD1-CB 4.42Å; F17-C25 WeakPolarHBondContact O-CA 2.98Å |
| 26 | C | 72.1 | Confident | 60.3 | Low | 41 Ų | 41 | 118.2 Ų | 118.2 | 28% | 0.277 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.2 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | Y16 F17 Y24 | Y16-C26 VanDerWaalsContact CA-O 3.24Å; Y16-C26 WeakPolarHBondContact CA-O 3.17Å; Y16-C26 WeakPolarHBondContact CB-O 3.45Å; Y16-C26 WeakPolarHBondContact CD1-O 3.31Å; F17-C26 HydrophobicContact CE1-CB 4Å; F17-C26 HydrophobicContact CE2-CB 4.39Å; F17-C26 HydrophobicContact CZ-CB 3.91Å; F17-C26 PolarHBondContact N-O 3.26Å; F17-C26 PolarHBondContact O-N 3.47Å; Y24-C26 PolarHBondContact O-N 3.33Å |
| 27 | E | 67.9 | Low | 58.8 | Low | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 138.5 | 165.4 | -72.1 | 179.6 | -170.6 | 0 | 0 | 108.2 | Y16 D29 | Y16-E27 HydrophobicContact CD1-CB 4.46Å; Y16-E27 HydrophobicContact CD1-CG 3.67Å; Y16-E27 HydrophobicContact CE1-CB 4.16Å; Y16-E27 HydrophobicContact CE1-CG 2.96Å; Y16-E27 WeakPolarHBondContact CE1-OE1 3Å; Y16-E27 HydrophobicContact CE2-CG 4.28Å; Y16-E27 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E27 WeakPolarHBondContact OH-CG 3.48Å; Y16-E27 PolarHBondContact OH-OE1 3.02Å; E27-D29 PolarHBondContact O-N 3.48Å |
| 28 | D | 59.2 | Low | 56.9 | Low | 84 Ų | 84 | 120.6 Ų | 120.6 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | trans | -67.1 | 76.4 | 165.1 | -75.6 | -39.5 | 0 | 0 | 0 | 108.5 | F17 D30 | F17-D28 WeakPolarHBondContact CD1-OD1 3.41Å; F17-D28 WeakPolarHBondContact CE1-OD1 3.48Å; D28-D30 PolarHBondContact O-N 3.29Å | ||
| 29 | D | 40.9 | Very low | 55.8 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 73% | 0.733 | 59% | 0.594 | S | S | * | * | trans | -75.1 | 66.1 | 168.5 | -81.4 | -40.4 | 0 | 0 | 0 | 109.4 | E27 | E27-D29 PolarHBondContact O-N 3.48Š| ||
| 30 | D | 45 | Very low | 54.5 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -168.1 | 104 | 156.5 | -108.8 | -41 | 0 | 0 | 0 | 106.8 | D28 S32 | D28-D30 PolarHBondContact O-N 3.29Å; D30-S32 PolarHBondContact O-N 3.27Å |
| 31 | D | 39.3 | Very low | 53.5 | Low | 169 Ų | 169 | 129.8 Ų | 129.8 | 90% | 0.904 | 63% | 0.625 | S | S | * | * | trans | 16.5 | 63.4 | 150.2 | -90.1 | -49.5 | 0 | 0 | 0 | 115.3 | R33 | D31-R33 PolarHBondContact O-N 2.73Š| ||
| 32 | S | 36.2 | Very low | 52.9 | Low | 75 Ų | 75 | 121.2 Ų | 121.2 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | trans | -83.8 | 101.6 | 168.9 | 44.6 | 0 | 0 | 0 | 0 | 105.4 | D30 | D30-S32 PolarHBondContact O-N 3.27Š| ||
| 33 | R | 40.4 | Very low | 52.7 | Low | 215 Ų | 215 | 122.4 Ų | 122.4 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | trans | 166.6 | 50.7 | 145 | -85 | 150.9 | -159.9 | -154.5 | 6.7 | 114.5 | D31 | D31-R33 PolarHBondContact O-N 2.73Š| ||
| 34 | E | 40.6 | Very low | 53.1 | Low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -110.8 | 112 | 137.6 | -76.5 | -160 | 160.4 | 0 | 0 | 109.1 | K36 | E34-K36 PolarHBondContact O-N 2.89Å; E34-K36 VanDerWaalsContact O-N 3.08Å |
| 35 | R | 38.4 | Very low | 53.4 | Low | 240 Ų | 240 | 116 Ų | 116 | 91% | 0.906 | 58% | 0.581 | S | S | * | * | trans | -41.8 | 114.3 | 171.8 | -67.2 | 170.3 | 176.9 | -147.7 | -1.7 | 110.3 | ||||
| 36 | K | 32.9 | Very low | 53.9 | Low | 202 Ų | 202 | 116.1 Ų | 116.1 | 88% | 0.878 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -75.1 | 115.1 | 142.4 | -71.1 | -179.2 | -179.4 | 172.8 | 0 | 105.1 | E34 | E34-K36 PolarHBondContact O-N 2.89Å; E34-K36 VanDerWaalsContact O-N 3.08Å |
| 37 | P | 41.9 | Very low | 54.5 | Low | 105 Ų | 105 | 115.7 Ų | 115.7 | 68% | 0.682 | 58% | 0.583 | S | S | * | * | -144 | 101.5 | 68.7 | 34.7 | -14.3 | 0 | 0 | 0 | 111.7 | |||||
| 38 | D | 39.5 | Very low | 55.5 | Low | 132 Ų | 132 | 113.9 Ų | 113.9 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | trans | -127.9 | 59 | 156.7 | -144.1 | 35.9 | 0 | 0 | 0 | 110.3 | S40 | D38-S40 VanDerWaalsContact CG-CB 3.49Å; D38-S40 PolarHBondContact O-N 2.79Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; D38-S40 PolarHBondContact OD2-OG 3.43Å | ||
| 39 | S | 48.9 | Very low | 56.8 | Low | 54 Ų | 54 | 119.7 Ų | 119.7 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | trans | -71.1 | 32.8 | 155 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | R41 E42 | S39-R41 PolarHBondContact O-N 3.14Å; S39-E42 VanDerWaalsContact CB-OE1 3.26Å; S39-E42 WeakPolarHBondContact CB-OE1 3.33Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 VanDerWaalsContact O-CG 3.27Å; S39-E42 WeakPolarHBondContact O-CG 3.49Å; S39-E42 PolarHBondContact O-N 2.98Å; S39-E42 PolarHBondContact OG-OE1 3.3Å | ||
| 40 | S | 47.2 | Very low | 59 | Low | 79 Ų | 79 | 114 Ų | 114 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 7.3 | -177.2 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | D38 | D38-S40 VanDerWaalsContact CG-CB 3.49Å; D38-S40 PolarHBondContact O-N 2.79Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; D38-S40 PolarHBondContact OD2-OG 3.43Å |
| 41 | R | 48.8 | Very low | 60.8 | Low | 218 Ų | 218 | 111.4 Ų | 111.4 | 82% | 0.823 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 41.5 | 164.4 | -73.5 | -177.4 | 156 | 173.8 | -5.2 | 111.4 | S39 N43 | S39-R41 PolarHBondContact O-N 3.14Å; R41-N43 PolarHBondContact O-N 2.95Å; R41-N43 PolarHBondContact O-ND2 2.95Å |
| 42 | E | 59.7 | Low | 62.6 | Low | 53 Ų | 53 | 108.6 Ų | 108.6 | 25% | 0.248 | 53% | 0.531 | C | S | . | . | trans | -49.7 | 102.7 | 171.7 | -97.2 | 167.5 | -144.8 | 0 | 0 | 109.8 | S39 L44 R54 P58 | S39-E42 VanDerWaalsContact CB-OE1 3.26Å; S39-E42 WeakPolarHBondContact CB-OE1 3.33Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 VanDerWaalsContact O-CG 3.27Å; S39-E42 WeakPolarHBondContact O-CG 3.49Å; S39-E42 PolarHBondContact O-N 2.98Å; S39-E42 PolarHBondContact OG-OE1 3.3Å; E42-L44 HydrophobicContact CB-CG 4.26Å; E42-L44 HydrophobicContact CG-CD2 4.39Å; E42-L44 HydrophobicContact CG-CG 4.31Å; E42-R54 IonicContact OE1-CZ 2.96Å; E42-R54 IonicContact OE1-NH1 3.47Å; E42-R54 PolarHBondContact OE1-NH1 3.35Å; E42-R54 IonicContact OE1-NH2 3.17Å; E42-R54 PolarHBondContact OE1-NH2 3.49Å; E42-R54 IonicContact OE2-CZ 3.57Å; E42-R54 IonicContact OE2-NH1 3.54Å; E42-R54 PolarHBondContact OE2-NH1 3.38Å; E42-P58 CarbonylContact C-O 3.43Å; E42-P58 HydrophobicContact CB-CB 4.24Å; E42-P58 WeakPolarHBondContact OE2-CB 3.34Å | ||
| 43 | N | 73.4 | Confident | 64.5 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | trans | -104.5 | 58.5 | 176.1 | -88 | -74.6 | 0 | 0 | 0 | 106.5 | R41 A45 R60 | R41-N43 PolarHBondContact O-N 2.95Å; R41-N43 PolarHBondContact O-ND2 2.95Å; N43-A45 PolarHBondContact O-N 2.93Å; N43-R60 HydrophobicContact CB-CB 4Å; N43-R60 HydrophobicContact CB-CG 4.09Å; N43-R60 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 44 | L | 85.6 | Confident | 65.8 | Low | 34 Ų | 34 | 108 Ų | 108 | 18% | 0.178 | 53% | 0.528 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 130.1 | -177.1 | -60.6 | 177.2 | 0 | 0 | 0 | 110.1 | E42 D48 C50 P58 R60 | E42-L44 HydrophobicContact CB-CG 4.26Å; E42-L44 HydrophobicContact CG-CD2 4.39Å; E42-L44 HydrophobicContact CG-CG 4.31Å; L44-D48 HydrophobicContact CB-CB 4.01Å; L44-D48 HydrophobicContact CD2-CB 4.39Å; L44-C50 HydrophobicContact CD1-CB 3.9Å; L44-P58 VanDerWaalsContact CB-O 3.32Å; L44-P58 WeakPolarHBondContact CB-O 2.97Å; L44-P58 HydrophobicContact CD1-CB 3.79Å; L44-P58 HydrophobicContact CD1-CG 4.08Å; L44-P58 HydrophobicContact CG-CB 4.5Å; L44-P58 WeakPolarHBondContact CG-O 2.95Å; L44-P58 PolarHBondContact N-O 3.49Å; L44-P58 VanDerWaalsContact N-O 3.16Å; L44-R60 WeakPolarHBondContact O-CB 3.33Å; L44-R60 PolarHBondContact O-N 2.81Å |
| 45 | A | 86.8 | Confident | 67.2 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 168.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | N43 G47 D48 C71 | N43-A45 PolarHBondContact O-N 2.93Å; A45-G47 PolarHBondContact O-N 3.3Å; A45-D48 PolarHBondContact N-OD2 2.87Å; A45-D48 WeakPolarHBondContact O-CB 3.34Å; A45-D48 PolarHBondContact O-N 2.03Å; A45-C71 VanDerWaalsContact O-CB 3.24Å; A45-C71 WeakPolarHBondContact O-CB 3.07Å |
| 46 | L | 86.6 | Confident | 69 | Low | 24 Ų | 24 | 108.6 Ų | 108.6 | 13% | 0.126 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137.3 | 171.5 | -72.9 | 176.9 | 0 | 0 | 0 | 110.8 | D48 T61 A64 E79 | L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 2.91Å; L46-T61 HydrophobicContact CD1-CG2 4.05Å; L46-T61 HydrophobicContact CD2-CG2 4.37Å; L46-T61 HydrophobicContact CG-CG2 4.07Å; L46-A64 HydrophobicContact CD2-CB 3.62Å; L46-E79 HydrophobicContact CD1-CB 4.42Å; L46-E79 HydrophobicContact CD1-CG 3.8Å |
| 47 | G | 86.1 | Confident | 71.4 | Confident | 32 Ų | 32 | 102.6 Ų | 102.6 | 33% | 0.33 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -17.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A45 R70 C71 | A45-G47 PolarHBondContact O-N 3.3Å; G47-R70 PolarHBondContact O-NH1 3.1Å; G47-C71 PolarHBondContact N-O 3.25Å |
| 48 | D | 89 | Confident | 73.3 | Confident | 70 Ų | 70 | 98.1 Ų | 98.1 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | trans | -64.2 | 149 | 177.4 | -74.3 | -18.1 | 0 | 0 | 0 | 111.5 | L44 A45 L46 R70 C71 | L44-D48 HydrophobicContact CB-CB 4.01Å; L44-D48 HydrophobicContact CD2-CB 4.39Å; A45-D48 PolarHBondContact N-OD2 2.87Å; A45-D48 WeakPolarHBondContact O-CB 3.34Å; A45-D48 PolarHBondContact O-N 2.03Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 2.91Å; D48-R70 CarbonylContact O-C 3.55Å; D48-R70 WeakPolarHBondContact O-CA 3.4Å; D48-C71 PolarHBondContact O-N 2.99Å | ||
| 49 | R | 86.3 | Confident | 75.6 | Confident | 205 Ų | 205 | 92.5 Ų | 92.5 | 77% | 0.774 | 45% | 0.447 | S | S | * | . | B | Isolated β-bridge | trans | -73.5 | 133.7 | 176.4 | -67 | -176.1 | -177 | -176 | 0.7 | 110 | G69 | R49-G69 WeakPolarHBondContact CA-O 3.43Å |
| 50 | C | 86.4 | Confident | 77.4 | Confident | 17 Ų | 17 | 98.3 Ų | 98.3 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | trans | -135.6 | 166.3 | 178.6 | 59 | 0 | 0 | 0 | 0 | 110 | L44 P58 C66 G69 R70 C71 | L44-C50 HydrophobicContact CD1-CB 3.9Å; C50-P58 HydrophobicContact CB-CG 3.65Å; C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.32Å; C50-C66 WeakPolarHBondContact SG-CA 3.43Å; C50-C66 WeakPolarHBondContact SG-CB 3.3Å; C50-C66 CovalentContact SG-SG 2.02Å; C50-C66 PolarHBondContact SG-SG 3.26Å; C50-G69 PolarHBondContact N-O 3.2Å; C50-G69 CarbonylContact O-C 3.53Å; C50-G69 WeakPolarHBondContact O-CA 3.41Å; C50-G69 VanDerWaalsContact SG-C 3.52Å; C50-R70 WeakPolarHBondContact SG-CA 3.31Å; C50-R70 PolarHBondContact SG-N 3.28Å; C50-R70 VanDerWaalsContact SG-N 3.35Å; C50-C71 PolarHBondContact SG-N 3.47Å | ||
| 51 | N | 82.9 | Confident | 79.3 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | trans | -113 | 117.2 | 179.5 | -172 | -6.7 | 0 | 0 | 0 | 110.3 | L53 R54 | N51-L53 PolarHBondContact O-N 2.89Å; N51-L53 WeakPolarHBondContact OD1-CB 2.98Å; N51-L53 PolarHBondContact OD1-N 2.88Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å; N51-R54 HydrophobicContact CB-CG 4.47Å; N51-R54 PolarHBondContact O-N 3.39Å | ||
| 52 | E | 76.8 | Confident | 81 | Confident | 110 Ų | 110 | 92.5 Ų | 92.5 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.7 | -178.4 | -64.4 | 179.9 | -173.5 | 0 | 0 | 113.5 | R54 C66 N68 G69 | E52-R54 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact O-N 3.16Å; E52-C66 HydrophobicContact CG-CB 4.4Å; E52-N68 WeakPolarHBondContact OE1-CA 3.44Å; E52-N68 PolarHBondContact OE1-N 2.02Å; E52-G69 PolarHBondContact OE1-N 3.32Å |
| 53 | L | 75.7 | Confident | 82.5 | Confident | 156 Ų | 156 | 91.9 Ų | 91.9 | 82% | 0.817 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -3 | 180 | -63.6 | 170.2 | 0 | 0 | 0 | 113.3 | N51 | N51-L53 PolarHBondContact O-N 2.89Å; N51-L53 WeakPolarHBondContact OD1-CB 2.98Å; N51-L53 PolarHBondContact OD1-N 2.88Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å |
| 54 | R | 67.5 | Low | 83.2 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 46% | 0.457 | 41% | 0.412 | S | S | . | . | trans | -83.5 | 137.4 | -179.4 | -69 | -168.5 | 169.2 | -164 | 1.7 | 111.4 | E42 N51 E52 R56 | E42-R54 IonicContact OE1-CZ 2.96Å; E42-R54 IonicContact OE1-NH1 3.47Å; E42-R54 PolarHBondContact OE1-NH1 3.35Å; E42-R54 IonicContact OE1-NH2 3.17Å; E42-R54 PolarHBondContact OE1-NH2 3.49Å; E42-R54 IonicContact OE2-CZ 3.57Å; E42-R54 IonicContact OE2-NH1 3.54Å; E42-R54 PolarHBondContact OE2-NH1 3.38Å; N51-R54 HydrophobicContact CB-CG 4.47Å; N51-R54 PolarHBondContact O-N 3.39Å; E52-R54 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact O-N 3.16Å; R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 2.68Å | ||
| 55 | K | 70.1 | Confident | 83.5 | Confident | 223 Ų | 223 | 89.3 Ų | 89.3 | 97% | 0.97 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -65.7 | -24.4 | 175.8 | -82.5 | -175.2 | 178 | 179.1 | 0 | 114.2 | ||
| 56 | R | 78 | Confident | 83.5 | Confident | 220 Ų | 220 | 87.7 Ų | 87.7 | 83% | 0.83 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -113.6 | 138.1 | 178.9 | -69.2 | -174.6 | -175.2 | -122.3 | 2.2 | 109 | R54 P58 | R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 2.68Å; R56-P58 WeakPolarHBondContact O-CD 3.35Å |
| 57 | N | 81.4 | Confident | 83.4 | Confident | 76 Ų | 76 | 89.4 Ų | 89.4 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | trans | -61.4 | 118.9 | 172.8 | -179.9 | 3.2 | 0 | 0 | 0 | 109.7 | C59 A64 | N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 WeakPolarHBondContact OD1-CB 3.25Å; N57-C59 PolarHBondContact OD1-N 2.88Å; N57-C59 PolarHBondContact OD1-SG 3.28Å; N57-A64 PolarHBondContact ND2-O 2.86Å | ||
| 58 | P | 83.8 | Confident | 83.3 | Confident | 10 Ų | 10 | 94.1 Ų | 94.1 | 7% | 0.065 | 43% | 0.434 | C | S | . | . | trans | -84.9 | -0.9 | -179.2 | 36.6 | -36.9 | 0 | 0 | 0 | 113.1 | E42 L44 C50 R56 | E42-P58 CarbonylContact C-O 3.43Å; E42-P58 HydrophobicContact CB-CB 4.24Å; E42-P58 WeakPolarHBondContact OE2-CB 3.34Å; L44-P58 VanDerWaalsContact CB-O 3.32Å; L44-P58 WeakPolarHBondContact CB-O 2.97Å; L44-P58 HydrophobicContact CD1-CB 3.79Å; L44-P58 HydrophobicContact CD1-CG 4.08Å; L44-P58 HydrophobicContact CG-CB 4.5Å; L44-P58 WeakPolarHBondContact CG-O 2.95Å; L44-P58 PolarHBondContact N-O 3.49Å; L44-P58 VanDerWaalsContact N-O 3.16Å; C50-P58 HydrophobicContact CB-CG 3.65Å; R56-P58 WeakPolarHBondContact O-CD 3.35Å | ||
| 59 | C | 86.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 91.9 Ų | 91.9 | 10% | 0.095 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 129.1 | -177.9 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | N57 A64 C71 | N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 WeakPolarHBondContact OD1-CB 3.25Å; N57-C59 PolarHBondContact OD1-N 2.88Å; N57-C59 PolarHBondContact OD1-SG 3.28Å; C59-A64 HydrophobicContact CB-CB 4.11Å; C59-C71 WeakPolarHBondContact CA-SG 3.34Å; C59-C71 HydrophobicContact CB-CB 3.79Å; C59-C71 WeakPolarHBondContact CB-SG 3.19Å; C59-C71 WeakPolarHBondContact SG-CA 3.22Å; C59-C71 WeakPolarHBondContact SG-CB 3.03Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 2.85Å |
| 60 | R | 86.6 | Confident | 83.4 | Confident | 176 Ų | 176 | 88 Ų | 88 | 66% | 0.664 | 41% | 0.412 | S | S | * | . | trans | -66.8 | -40.4 | 176.6 | -178.2 | -179.1 | -172.7 | 177.6 | -5.6 | 112.3 | N43 L44 E62 | N43-R60 HydrophobicContact CB-CB 4Å; N43-R60 HydrophobicContact CB-CG 4.09Å; N43-R60 WeakPolarHBondContact OD1-CG 3.28Å; L44-R60 WeakPolarHBondContact O-CB 3.33Å; L44-R60 PolarHBondContact O-N 2.81Å; R60-E62 PolarHBondContact O-N 3.39Å | ||
| 61 | T | 86.3 | Confident | 83.6 | Confident | 21 Ų | 21 | 87.3 Ų | 87.3 | 13% | 0.129 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -69.6 | 124.2 | -170.3 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | L46 N63 A64 C84 | L46-T61 HydrophobicContact CD1-CG2 4.05Å; L46-T61 HydrophobicContact CD2-CG2 4.37Å; L46-T61 HydrophobicContact CG-CG2 4.07Å; T61-N63 PolarHBondContact O-N 3.31Å; T61-A64 HydrophobicContact CG2-CB 4.35Å; T61-A64 WeakPolarHBondContact O-CB 3.17Å; T61-A64 PolarHBondContact O-N 3.47Å; T61-C84 HydrophobicContact CG2-CB 4.27Å |
| 62 | E | 86.3 | Confident | 84 | Confident | 154 Ų | 154 | 89.5 Ų | 89.5 | 72% | 0.72 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.1 | 173.8 | -164.5 | -169.2 | 158.4 | 0 | 0 | 110 | R60 A64 C84 | R60-E62 PolarHBondContact O-N 3.39Å; E62-A64 PolarHBondContact O-N 2.8Å; E62-C84 WeakPolarHBondContact O-CB 3.19Å |
| 63 | N | 89.8 | Confident | 84.6 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 22% | 0.219 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 21.1 | -174 | -45.9 | -69.3 | 0 | 0 | 0 | 114.3 | T61 C73 I74 Y77 C84 | T61-N63 PolarHBondContact O-N 3.31Å; N63-C73 WeakPolarHBondContact O-CA 3.38Å; N63-I74 HydrophobicContact CB-CD1 4.03Å; N63-I74 HydrophobicContact CB-CG1 4.17Å; N63-I74 WeakPolarHBondContact O-CG1 3.49Å; N63-I74 PolarHBondContact O-N 3.06Å; N63-Y77 HydrophobicContact CB-CD1 3.42Å; N63-Y77 VanDerWaalsContact CB-CD1 3.42Å; N63-Y77 HydrophobicContact CB-CD2 3.96Å; N63-Y77 HydrophobicContact CB-CE1 3.52Å; N63-Y77 HydrophobicContact CB-CE2 4.05Å; N63-Y77 HydrophobicContact CB-CG 3.68Å; N63-Y77 WeakPolarHBondContact ND2-CE1 3.4Å; N63-Y77 VanDerWaalsContact OD1-CZ 3.28Å; N63-Y77 PolarHBondContact OD1-OH 3.45Å; N63-C84 HydrophobicContact CB-CB 3.96Å |
| 64 | A | 89.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 80.7 Ų | 80.7 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 153.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L46 N57 C59 T61 E62 R72 | L46-A64 HydrophobicContact CD2-CB 3.62Å; N57-A64 PolarHBondContact ND2-O 2.86Å; C59-A64 HydrophobicContact CB-CB 4.11Å; T61-A64 HydrophobicContact CG2-CB 4.35Å; T61-A64 WeakPolarHBondContact O-CB 3.17Å; T61-A64 PolarHBondContact O-N 3.47Å; E62-A64 PolarHBondContact O-N 2.8Å; A64-R72 CarbonylContact C-O 3.45Å; A64-R72 WeakPolarHBondContact CA-O 3.48Å; A64-R72 WeakPolarHBondContact CB-O 3.44Å |
| 65 | D | 89.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 166.5 | 172.1 | -161.7 | 5.9 | 0 | 0 | 0 | 110.2 | I67 R72 I74 | D65-I67 HydrophobicContact CB-CG1 4.38Å; D65-I67 PolarHBondContact O-N 3.23Å; D65-R72 PolarHBondContact N-O 2.8Å; D65-R72 PolarHBondContact O-N 3.27Å; D65-I74 HydrophobicContact CB-CG2 3.57Å |
| 66 | C | 87 | Confident | 86 | Confident | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 100.9 | 175.8 | -167.4 | 0 | 0 | 0 | 0 | 110.4 | C50 E52 | C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.32Å; C50-C66 WeakPolarHBondContact SG-CA 3.43Å; C50-C66 WeakPolarHBondContact SG-CB 3.3Å; C50-C66 CovalentContact SG-SG 2.02Å; C50-C66 PolarHBondContact SG-SG 3.26Å; E52-C66 HydrophobicContact CG-CB 4.4Å |
| 67 | I | 85.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.4 | -176.9 | -54.8 | 171.8 | 0 | 0 | 0 | 109.4 | D65 G69 R70 R72 | D65-I67 HydrophobicContact CB-CG1 4.38Å; D65-I67 PolarHBondContact O-N 3.23Å; I67-G69 VanDerWaalsContact C-N 3.3Å; I67-R70 PolarHBondContact N-O 3.14Å; I67-R70 PolarHBondContact O-N 3.04Å; I67-R72 HydrophobicContact CB-CB 4.32Å; I67-R72 HydrophobicContact CD1-CB 4.32Å; I67-R72 WeakPolarHBondContact O-CD 2.99Å |
| 68 | N | 84.5 | Confident | 86.6 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 43.6 | -172.6 | -59.9 | -43.3 | 0 | 0 | 0 | 112.4 | E52 R70 | E52-N68 WeakPolarHBondContact OE1-CA 3.44Å; E52-N68 PolarHBondContact OE1-N 2.02Å; N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 2.01Å |
| 69 | G | 85.3 | Confident | 86.7 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 18.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R49 C50 E52 I67 | R49-G69 WeakPolarHBondContact CA-O 3.43Å; C50-G69 PolarHBondContact N-O 3.2Å; C50-G69 CarbonylContact O-C 3.53Å; C50-G69 WeakPolarHBondContact O-CA 3.41Å; C50-G69 VanDerWaalsContact SG-C 3.52Å; E52-G69 PolarHBondContact OE1-N 3.32Å; I67-G69 VanDerWaalsContact C-N 3.3Å |
| 70 | R | 90.7 | Very high | 86.6 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.9 | 172.4 | -68.9 | -177.1 | -178.6 | -120.5 | 12 | 112.7 | G47 D48 C50 I67 N68 R72 | G47-R70 PolarHBondContact O-NH1 3.1Å; D48-R70 CarbonylContact O-C 3.55Å; D48-R70 WeakPolarHBondContact O-CA 3.4Å; C50-R70 WeakPolarHBondContact SG-CA 3.31Å; C50-R70 PolarHBondContact SG-N 3.28Å; C50-R70 VanDerWaalsContact SG-N 3.35Å; I67-R70 PolarHBondContact N-O 3.14Å; I67-R70 PolarHBondContact O-N 3.04Å; N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 2.01Å; R70-R72 HydrophobicContact CB-CG 4.31Å; R70-R72 PolarHBondContact O-N 3.18Å |
| 71 | C | 90.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 114.2 | 172.8 | -75.8 | 0 | 0 | 0 | 0 | 110.5 | A45 G47 D48 C50 C59 | A45-C71 VanDerWaalsContact O-CB 3.24Å; A45-C71 WeakPolarHBondContact O-CB 3.07Å; G47-C71 PolarHBondContact N-O 3.25Å; D48-C71 PolarHBondContact O-N 2.99Å; C50-C71 PolarHBondContact SG-N 3.47Å; C59-C71 WeakPolarHBondContact CA-SG 3.34Å; C59-C71 HydrophobicContact CB-CB 3.79Å; C59-C71 WeakPolarHBondContact CB-SG 3.19Å; C59-C71 WeakPolarHBondContact SG-CA 3.22Å; C59-C71 WeakPolarHBondContact SG-CB 3.03Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 2.85Å |
| 72 | R | 91.4 | Very high | 86.3 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 50% | 0.498 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.4 | -176 | -61.9 | -179.2 | 74.2 | 176.4 | 3.3 | 110.4 | A64 D65 I67 R70 I74 | A64-R72 CarbonylContact C-O 3.45Å; A64-R72 WeakPolarHBondContact CA-O 3.48Å; A64-R72 WeakPolarHBondContact CB-O 3.44Å; D65-R72 PolarHBondContact N-O 2.8Å; D65-R72 PolarHBondContact O-N 3.27Å; I67-R72 HydrophobicContact CB-CB 4.32Å; I67-R72 HydrophobicContact CD1-CB 4.32Å; I67-R72 WeakPolarHBondContact O-CD 2.99Å; R70-R72 HydrophobicContact CB-CG 4.31Å; R70-R72 PolarHBondContact O-N 3.18Å; R72-I74 PolarHBondContact O-N 3.25Å |
| 73 | C | 90.2 | Very high | 86.4 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 135.6 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.9 | N63 C84 | N63-C73 WeakPolarHBondContact O-CA 3.38Å; C73-C84 WeakPolarHBondContact CA-SG 3.45Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 2.97Å; C73-C84 WeakPolarHBondContact SG-CA 3.04Å; C73-C84 WeakPolarHBondContact SG-CB 3.38Å; C73-C84 CovalentContact SG-SG 2.04Å; C73-C84 PolarHBondContact SG-SG 3.08Å |
| 74 | I | 88.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 164.6 | 174.1 | 69.3 | -174.2 | 0 | 0 | 0 | 110.5 | N63 D65 R72 G76 Y77 | N63-I74 HydrophobicContact CB-CD1 4.03Å; N63-I74 HydrophobicContact CB-CG1 4.17Å; N63-I74 WeakPolarHBondContact O-CG1 3.49Å; N63-I74 PolarHBondContact O-N 3.06Å; D65-I74 HydrophobicContact CB-CG2 3.57Å; R72-I74 PolarHBondContact O-N 3.25Å; I74-G76 PolarHBondContact O-N 3.18Å; I74-Y77 HydrophobicContact CD1-CD2 4.12Å; I74-Y77 HydrophobicContact CD1-CE2 4.08Å; I74-Y77 HydrophobicContact CG1-CD2 3.59Å; I74-Y77 HydrophobicContact CG1-CE2 4.07Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.31Å; I74-Y77 VanDerWaalsContact O-N 3.11Å |
| 75 | S | 81 | Confident | 86.2 | Confident | 126 Ų | 126 | 78 Ų | 78 | 88% | 0.881 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.9 | 178.1 | -168 | 0 | 0 | 0 | 0 | 111.6 | ||
| 76 | G | 74.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 82 Ų | 82 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -4.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I74 K87 | I74-G76 PolarHBondContact O-N 3.18Å; G76-K87 WeakPolarHBondContact O-CB 3.02Å; G76-K87 PolarHBondContact O-N 3.45Å |
| 77 | Y | 85.1 | Confident | 84.9 | Confident | 65 Ų | 65 | 86.3 Ų | 86.3 | 26% | 0.255 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 155.4 | 177.4 | -66.3 | -105 | 0 | 0 | 0 | 110.9 | N63 I74 C84 V85 K86 K87 | N63-Y77 HydrophobicContact CB-CD1 3.42Å; N63-Y77 VanDerWaalsContact CB-CD1 3.42Å; N63-Y77 HydrophobicContact CB-CD2 3.96Å; N63-Y77 HydrophobicContact CB-CE1 3.52Å; N63-Y77 HydrophobicContact CB-CE2 4.05Å; N63-Y77 HydrophobicContact CB-CG 3.68Å; N63-Y77 WeakPolarHBondContact ND2-CE1 3.4Å; N63-Y77 VanDerWaalsContact OD1-CZ 3.28Å; N63-Y77 PolarHBondContact OD1-OH 3.45Å; I74-Y77 HydrophobicContact CD1-CD2 4.12Å; I74-Y77 HydrophobicContact CD1-CE2 4.08Å; I74-Y77 HydrophobicContact CG1-CD2 3.59Å; I74-Y77 HydrophobicContact CG1-CE2 4.07Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.31Å; I74-Y77 VanDerWaalsContact O-N 3.11Å; Y77-C84 HydrophobicContact CD1-CB 4.38Å; Y77-C84 WeakPolarHBondContact CD1-O 3.32Å; Y77-V85 CarbonylContact C-O 3.46Å; Y77-V85 WeakPolarHBondContact CA-O 3.01Å; Y77-V85 WeakPolarHBondContact CB-O 3.39Å; Y77-V85 WeakPolarHBondContact CD1-O 2.98Å; Y77-K86 HydrophobicContact CD1-CB 4.18Å; Y77-K86 HydrophobicContact CE1-CB 3.92Å; Y77-K87 VanDerWaalsContact O-CE 3.26Å; Y77-K87 WeakPolarHBondContact O-CE 2.86Å |
| 78 | E | 85.9 | Confident | 83.4 | Confident | 121 Ų | 121 | 90.2 Ų | 90.2 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.7 | 177.4 | -176.6 | 162.8 | -158.8 | 0 | 0 | 109.4 | E80 C84 V85 K87 | E78-E80 PolarHBondContact O-N 2.04Å; E78-C84 WeakPolarHBondContact O-CA 3.5Å; E78-V85 PolarHBondContact N-O 2.86Å; E78-V85 WeakPolarHBondContact O-CG2 3.35Å; E78-V85 PolarHBondContact O-N 3.05Å; E78-K87 HydrophobicContact CB-CG 3.81Å |
| 79 | E | 85.4 | Confident | 81.8 | Confident | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.3 | 179.2 | 179.2 | 174.7 | 176.4 | 0 | 0 | 109.5 | L46 R83 | L46-E79 HydrophobicContact CD1-CB 4.42Å; L46-E79 HydrophobicContact CD1-CG 3.8Å; E79-R83 WeakPolarHBondContact CA-O 3.43Å |
| 80 | E | 84.7 | Confident | 80.1 | Confident | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 121.5 | 173.6 | -171.8 | -179.9 | -153.3 | 0 | 0 | 108.8 | E78 S82 R83 V85 | E78-E80 PolarHBondContact O-N 2.04Å; E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 2.04Å; E80-R83 PolarHBondContact N-O 2.84Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 VanDerWaalsContact O-O 3.13Å; E80-V85 HydrophobicContact CB-CB 4.48Å; E80-V85 HydrophobicContact CB-CG1 4.12Å; E80-V85 HydrophobicContact CB-CG2 3.55Å; E80-V85 WeakPolarHBondContact OE2-CG2 3.33Å |
| 81 | N | 82.3 | Confident | 78.3 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 69% | 0.69 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 49.9 | 179.9 | -61.5 | -50.5 | 0 | 0 | 0 | 113.1 | R83 | N81-R83 PolarHBondContact O-N 3.45Å; N81-R83 VanDerWaalsContact O-N 3.1Å |
| 82 | S | 84.6 | Confident | 76.8 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 17.1 | -178.5 | -50.7 | 0 | 0 | 0 | 0 | 115.2 | E80 | E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 2.04Å |
| 83 | R | 89.3 | Confident | 75.5 | Confident | 160 Ų | 160 | 105.2 Ų | 105.2 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.6 | 174 | -66.6 | -174.7 | -70.5 | 165.6 | -1.9 | 110 | E79 E80 N81 V85 | E79-R83 WeakPolarHBondContact CA-O 3.43Å; E80-R83 PolarHBondContact N-O 2.84Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 VanDerWaalsContact O-O 3.13Å; N81-R83 PolarHBondContact O-N 3.45Å; N81-R83 VanDerWaalsContact O-N 3.1Å; R83-V85 PolarHBondContact O-N 2.82Å |
| 84 | C | 88.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 107.1 Ų | 107.1 | 6% | 0.061 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 93.9 | 167.6 | -64.6 | 0 | 0 | 0 | 0 | 108.1 | T61 E62 N63 C73 Y77 E78 | T61-C84 HydrophobicContact CG2-CB 4.27Å; E62-C84 WeakPolarHBondContact O-CB 3.19Å; N63-C84 HydrophobicContact CB-CB 3.96Å; C73-C84 WeakPolarHBondContact CA-SG 3.45Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 2.97Å; C73-C84 WeakPolarHBondContact SG-CA 3.04Å; C73-C84 WeakPolarHBondContact SG-CB 3.38Å; C73-C84 CovalentContact SG-SG 2.04Å; C73-C84 PolarHBondContact SG-SG 3.08Å; Y77-C84 HydrophobicContact CD1-CB 4.38Å; Y77-C84 WeakPolarHBondContact CD1-O 3.32Å; E78-C84 WeakPolarHBondContact O-CA 3.5Å |
| 85 | V | 85.2 | Confident | 74.1 | Confident | 39 Ų | 39 | 108.4 Ų | 108.4 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 144.2 | 170.6 | -64 | 0 | 0 | 0 | 0 | 107.8 | Y77 E78 E80 R83 K87 | Y77-V85 CarbonylContact C-O 3.46Å; Y77-V85 WeakPolarHBondContact CA-O 3.01Å; Y77-V85 WeakPolarHBondContact CB-O 3.39Å; Y77-V85 WeakPolarHBondContact CD1-O 2.98Å; E78-V85 PolarHBondContact N-O 2.86Å; E78-V85 WeakPolarHBondContact O-CG2 3.35Å; E78-V85 PolarHBondContact O-N 3.05Å; E80-V85 HydrophobicContact CB-CB 4.48Å; E80-V85 HydrophobicContact CB-CG1 4.12Å; E80-V85 HydrophobicContact CB-CG2 3.55Å; E80-V85 WeakPolarHBondContact OE2-CG2 3.33Å; R83-V85 PolarHBondContact O-N 2.82Å; V85-K87 PolarHBondContact O-N 2.82Å |
| 86 | K | 79.5 | Confident | 73.9 | Confident | 152 Ų | 152 | 103 Ų | 103 | 66% | 0.661 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 133.7 | 168.5 | -172.7 | 175.8 | -174.6 | 173.6 | 0 | 105.6 | Y77 E88 | Y77-K86 HydrophobicContact CD1-CB 4.18Å; Y77-K86 HydrophobicContact CE1-CB 3.92Å; K86-E88 PolarHBondContact O-N 3.41Å |
| 87 | K | 70.4 | Confident | 73.7 | Confident | 105 Ų | 105 | 104.9 Ų | 104.9 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | trans | -51.7 | 104.2 | 167.7 | -75.4 | 179.5 | -174.8 | -173.6 | 0 | 104.7 | G76 Y77 E78 V85 T89 | G76-K87 WeakPolarHBondContact O-CB 3.02Å; G76-K87 PolarHBondContact O-N 3.45Å; Y77-K87 VanDerWaalsContact O-CE 3.26Å; Y77-K87 WeakPolarHBondContact O-CE 2.86Å; E78-K87 HydrophobicContact CB-CG 3.81Å; V85-K87 PolarHBondContact O-N 2.82Å; K87-T89 PolarHBondContact O-N 3.47Å | ||
| 88 | E | 56 | Low | 72.9 | Confident | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | trans | -61 | 105.2 | 170.5 | -172 | 160.2 | -175.9 | 0 | 0 | 100.9 | K86 R90 | K86-E88 PolarHBondContact O-N 3.41Å; E88-R90 WeakPolarHBondContact O-CA 3.45Å; E88-R90 PolarHBondContact O-N 3.23Å | ||
| 89 | T | 49.1 | Very low | 71.8 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | trans | -58.8 | 90.5 | 175.9 | 33.6 | 0 | 0 | 0 | 0 | 103.1 | K87 R91 R92 | K87-T89 PolarHBondContact O-N 3.47Å; T89-R91 VanDerWaalsContact O-CA 3.32Å; T89-R91 WeakPolarHBondContact O-CA 3.26Å; T89-R91 PolarHBondContact O-N 3.42Å; T89-R92 PolarHBondContact O-N 3.25Å | ||
| 90 | R | 50.8 | Low | 71.5 | Confident | 230 Ų | 230 | 102.3 Ų | 102.3 | 87% | 0.868 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -28.7 | 104 | -162.4 | -69.5 | -173.3 | -173.1 | 179.9 | 1.2 | 106.9 | E88 R92 | E88-R90 WeakPolarHBondContact O-CA 3.45Å; E88-R90 PolarHBondContact O-N 3.23Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 WeakPolarHBondContact O-CA 3.19Å; R90-R92 PolarHBondContact O-N 2.64Å |
| 91 | R | 51.7 | Low | 71.4 | Confident | 206 Ų | 206 | 98.5 Ų | 98.5 | 78% | 0.777 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -18.6 | 91.2 | -163.7 | -78.8 | -173.8 | 175.3 | -163 | -0.2 | 109.6 | T89 I93 | T89-R91 VanDerWaalsContact O-CA 3.32Å; T89-R91 WeakPolarHBondContact O-CA 3.26Å; T89-R91 PolarHBondContact O-N 3.42Å; R91-I93 WeakPolarHBondContact O-CG1 3.37Å; R91-I93 PolarHBondContact O-N 2.98Å |
| 92 | R | 60.1 | Low | 71.2 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | trans | -54.3 | 113.8 | -161.1 | -79.5 | -179.1 | 176.2 | -162.8 | 0.4 | 105.7 | T89 R90 H94 Y134 E150 | T89-R92 PolarHBondContact O-N 3.25Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 WeakPolarHBondContact O-CA 3.19Å; R90-R92 PolarHBondContact O-N 2.64Å; R92-H94 PolarHBondContact O-CE1 2.98Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-ND1 3.1Å; R92-Y134 HydrophobicContact CB-CD1 3.72Å; R92-Y134 HydrophobicContact CB-CE1 3.6Å; R92-Y134 HydrophobicContact CG-CD1 3.8Å; R92-Y134 HydrophobicContact CG-CE1 3.94Å; R92-Y134 HydrophobicContact CG-CG 4.27Å; R92-Y134 VanDerWaalsContact NH1-CD2 3.27Å; R92-E150 IonicContact CZ-OE2 3.39Å; R92-E150 IonicContact NH1-OE2 2.79Å; R92-E150 PolarHBondContact NH1-OE2 3.23Å; R92-E150 IonicContact NH2-OE2 2.65Å; R92-E150 PolarHBondContact NH2-OE2 3.02Å | ||
| 93 | I | 64.2 | Low | 71 | Confident | 134 Ų | 134 | 94.7 Ų | 94.7 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | trans | -72.1 | 109.1 | -172.8 | -63.6 | 176.6 | 0 | 0 | 0 | 105.4 | R91 S95 F152 | R91-I93 WeakPolarHBondContact O-CG1 3.37Å; R91-I93 PolarHBondContact O-N 2.98Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 VanDerWaalsContact CG2-OG 3.26Å; I93-S95 WeakPolarHBondContact CG2-OG 3.39Å; I93-S95 PolarHBondContact O-N 3.46Å; I93-F152 WeakPolarHBondContact O-CE1 3.12Å | ||
| 94 | H | 71.3 | Confident | 70.5 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 30% | 0.301 | 46% | 0.464 | S | S | . | . | trans | -94.7 | 53 | -178.9 | -58.4 | 103.8 | 0 | 0 | 0 | 110.3 | R92 P101 I108 Y134 F152 | R92-H94 PolarHBondContact O-CE1 2.98Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-ND1 3.1Å; H94-P101 HydrophobicContact CB-CG 4.18Å; H94-I108 HydrophobicContact CB-CD1 3.83Å; H94-I108 VanDerWaalsContact CG-CD1 3.49Å; H94-Y134 AromaticContact CD2-CE1 3.72Å; H94-Y134 AromaticContact NE2-CE1 3.53Å; H94-Y134 AromaticContact NE2-CZ 3.87Å; H94-Y134 PolarHBondContact NE2-OH 3.2Å; H94-F152 VanDerWaalsContact CA-CZ 3.49Å; H94-F152 HydrophobicContact CB-CD2 4.41Å; H94-F152 HydrophobicContact CB-CE2 4.2Å; H94-F152 HydrophobicContact CB-CZ 4.38Å; H94-F152 AromaticContact CD2-CD1 3.84Å; H94-F152 AromaticContact CD2-CG 3.83Å | ||
| 95 | S | 76 | Confident | 70 | Confident | 82 Ų | 82 | 94.7 Ų | 94.7 | 57% | 0.573 | 50% | 0.5 | S | S | * | . | trans | -92.7 | 117.7 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 110 | I93 | I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 VanDerWaalsContact CG2-OG 3.26Å; I93-S95 WeakPolarHBondContact CG2-OG 3.39Å; I93-S95 PolarHBondContact O-N 3.46Å | ||
| 96 | C | 77 | Confident | 69.7 | Low | 13 Ų | 13 | 96.3 Ų | 96.3 | 9% | 0.088 | 53% | 0.525 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 151.1 | 170 | -66 | 0 | 0 | 0 | 0 | 110.7 | S98 L99 A100 P101 C154 | C96-S98 PolarHBondContact O-N 2.04Å; C96-L99 PolarHBondContact O-N 3.25Å; C96-L99 VanDerWaalsContact O-N 3.07Å; C96-A100 VanDerWaalsContact SG-C 3.58Å; C96-A100 PolarHBondContact SG-O 3.17Å; C96-P101 WeakPolarHBondContact SG-CA 2.95Å; C96-C154 WeakPolarHBondContact CA-SG 3.45Å; C96-C154 HydrophobicContact CB-CB 3.66Å; C96-C154 WeakPolarHBondContact CB-SG 3.03Å; C96-C154 WeakPolarHBondContact SG-CA 3.49Å; C96-C154 WeakPolarHBondContact SG-CB 2.95Å; C96-C154 CovalentContact SG-SG 2.03Å; C96-C154 PolarHBondContact SG-SG 2.87Å |
| 97 | P | 70.4 | Confident | 69.7 | Low | 74 Ų | 74 | 96.9 Ų | 96.9 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.8 | 167.3 | -24.5 | 35.7 | 0 | 0 | 0 | 112 | L99 F130 M157 | P97-L99 PolarHBondContact O-N 2.9Å; P97-F130 HydrophobicContact CG-CZ 3.92Å; P97-M157 HydrophobicContact CB-CG 4.46Å; P97-M157 HydrophobicContact CB-SD 3.84Å |
| 98 | S | 68.6 | Low | 70.3 | Confident | 37 Ų | 37 | 94.6 Ų | 94.6 | 26% | 0.259 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 26.8 | 175 | 63 | 0 | 0 | 0 | 0 | 113.8 | C96 A100 P155 | C96-S98 PolarHBondContact O-N 2.04Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.44Å; S98-P155 WeakPolarHBondContact OG-CD 3.4Å; S98-P155 VanDerWaalsContact OG-CG 3.28Å; S98-P155 WeakPolarHBondContact OG-CG 3.47Å; S98-P155 PolarHBondContact OG-O 2.94Å |
| 99 | L | 63 | Low | 71.7 | Confident | 160 Ų | 160 | 91.7 Ų | 91.7 | 84% | 0.838 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | 73.7 | -56.8 | 178.8 | -52.9 | 167.3 | 0 | 0 | 0 | 116.1 | C96 P97 | C96-L99 PolarHBondContact O-N 3.25Å; C96-L99 VanDerWaalsContact O-N 3.07Å; P97-L99 PolarHBondContact O-N 2.9Å |
| 100 | A | 78.3 | Confident | 73.5 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -117.6 | 140 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C96 S98 P155 | C96-A100 VanDerWaalsContact SG-C 3.58Å; C96-A100 PolarHBondContact SG-O 3.17Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.44Å; A100-P155 VanDerWaalsContact O-CD 3.25Å; A100-P155 WeakPolarHBondContact O-CD 3.44Å |
| 101 | P | 82.3 | Confident | 75.2 | Confident | 29 Ų | 29 | 83.7 Ų | 83.7 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | trans | -71.5 | 150.5 | 174 | 31.5 | -35.7 | 0 | 0 | 0 | 112.2 | H94 C96 T103 I108 F152 | H94-P101 HydrophobicContact CB-CG 4.18Å; C96-P101 WeakPolarHBondContact SG-CA 2.95Å; P101-T103 PolarHBondContact O-N 3.49Å; P101-I108 HydrophobicContact CB-CG1 4.45Å; P101-I108 HydrophobicContact CB-CG2 4.06Å; P101-I108 HydrophobicContact CG-CD1 3.95Å; P101-I108 HydrophobicContact CG-CG1 4.04Å; P101-F152 HydrophobicContact CB-CD2 3.86Å; P101-F152 HydrophobicContact CB-CE2 4.26Å | ||
| 102 | L | 80.1 | Confident | 76.7 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 27% | 0.272 | 45% | 0.451 | S | S | . | . | trans | -66.7 | 126.6 | 176.5 | -173.3 | 70.3 | 0 | 0 | 0 | 109.6 | K109 P126 C153 | L102-K109 HydrophobicContact CD2-CB 4.48Å; L102-K109 PolarHBondContact O-N 2.91Å; L102-P126 HydrophobicContact CD2-CG 3.26Å; L102-C153 HydrophobicContact CB-CB 4.11Å; L102-C153 WeakPolarHBondContact CB-O 3.14Å; L102-C153 HydrophobicContact CD2-CB 4.22Å; L102-C153 PolarHBondContact N-O 3.26Å | ||
| 103 | T | 79.5 | Confident | 77.8 | Confident | 84 Ų | 84 | 75 Ų | 75 | 52% | 0.515 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.7 | 175.1 | 59 | 0 | 0 | 0 | 0 | 110.4 | P101 K107 I108 | P101-T103 PolarHBondContact O-N 3.49Å; T103-K107 CarbonylContact C-O 3.51Å; T103-K107 VanDerWaalsContact CA-O 3.28Å; T103-K107 WeakPolarHBondContact CA-O 3.5Å; T103-I108 HydrophobicContact CG2-CG1 4.38Å |
| 104 | V | 78.7 | Confident | 78.6 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.3 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | G106 K107 K109 | V104-G106 VanDerWaalsContact C-N 3.3Å; V104-G106 PolarHBondContact O-N 3.34Å; V104-K107 PolarHBondContact N-O 2.88Å; V104-K107 PolarHBondContact O-N 3.26Å; V104-K109 HydrophobicContact CG2-CB 4.15Å; V104-K109 HydrophobicContact CG2-CD 4.24Å; V104-K109 HydrophobicContact CG2-CG 4.38Å |
| 105 | G | 78.7 | Confident | 78.7 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 84% | 0.835 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 36.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | K107 | G105-K107 PolarHBondContact O-N 3.02Š|
| 106 | G | 77.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 1.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V104 | V104-G106 VanDerWaalsContact C-N 3.3Å; V104-G106 PolarHBondContact O-N 3.34Å |
| 107 | K | 81.4 | Confident | 77.6 | Confident | 164 Ų | 164 | 81.2 Ų | 81.2 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.9 | 176.3 | -66 | 179.7 | -178.4 | 175.1 | 0 | 110.3 | T103 V104 G105 K109 | T103-K107 CarbonylContact C-O 3.51Å; T103-K107 VanDerWaalsContact CA-O 3.28Å; T103-K107 WeakPolarHBondContact CA-O 3.5Å; V104-K107 PolarHBondContact N-O 2.88Å; V104-K107 PolarHBondContact O-N 3.26Å; G105-K107 PolarHBondContact O-N 3.02Å; K107-K109 PolarHBondContact O-N 2.97Å |
| 108 | I | 81.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 85 Ų | 85 | 29% | 0.287 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 126.1 | 173.7 | -63.9 | 174.7 | 0 | 0 | 0 | 108.9 | H94 P101 T103 K110 F152 | H94-I108 HydrophobicContact CB-CD1 3.83Å; H94-I108 VanDerWaalsContact CG-CD1 3.49Å; P101-I108 HydrophobicContact CB-CG1 4.45Å; P101-I108 HydrophobicContact CB-CG2 4.06Å; P101-I108 HydrophobicContact CG-CD1 3.95Å; P101-I108 HydrophobicContact CG-CG1 4.04Å; T103-I108 HydrophobicContact CG2-CG1 4.38Å; I108-K110 PolarHBondContact O-N 2.04Å; I108-F152 HydrophobicContact CG2-CB 3.72Å; I108-F152 HydrophobicContact CG2-CG 4.46Å |
| 109 | K | 85.4 | Confident | 76.8 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | trans | -71.3 | 110.1 | 178.4 | -179.9 | 64 | 177.7 | -178.1 | 0 | 109 | L102 V104 K107 F152 C153 | L102-K109 HydrophobicContact CD2-CB 4.48Å; L102-K109 PolarHBondContact O-N 2.91Å; V104-K109 HydrophobicContact CG2-CB 4.15Å; V104-K109 HydrophobicContact CG2-CD 4.24Å; V104-K109 HydrophobicContact CG2-CG 4.38Å; K107-K109 PolarHBondContact O-N 2.97Å; K109-F152 CarbonylContact O-C 3.49Å; K109-F152 WeakPolarHBondContact O-CA 3.22Å; K109-C153 HydrophobicContact CB-CB 4.24Å; K109-C153 HydrophobicContact CG-CB 4.15Å; K109-C153 PolarHBondContact O-N 3.33Å | ||
| 110 | K | 86.7 | Confident | 76.9 | Confident | 138 Ų | 138 | 87.2 Ų | 87.2 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 151.1 | 172 | -63.1 | -176.3 | -179.5 | -177.9 | 0 | 110.7 | I108 G151 | I108-K110 PolarHBondContact O-N 2.04Å; K110-G151 WeakPolarHBondContact CA-O 3.05Å |
| 111 | C | 85.9 | Confident | 76.5 | Confident | 7 Ų | 7 | 88 Ų | 88 | 5% | 0.047 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 166.9 | 177 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | N124 C125 C131 G151 F152 | C111-N124 WeakPolarHBondContact CA-OD1 3.32Å; C111-N124 WeakPolarHBondContact CB-OD1 3.31Å; C111-C125 WeakPolarHBondContact CB-SG 3.28Å; C111-C131 HydrophobicContact CB-CB 3.76Å; C111-C131 WeakPolarHBondContact CB-SG 3.38Å; C111-C131 WeakPolarHBondContact SG-CA 3.49Å; C111-C131 WeakPolarHBondContact SG-CB 3.34Å; C111-C131 CovalentContact SG-SG 2.01Å; C111-C131 PolarHBondContact SG-SG 3.04Å; C111-G151 PolarHBondContact N-O 3.1Å; C111-G151 PolarHBondContact O-N 2.88Å; C111-F152 WeakPolarHBondContact SG-CA 3.47Å; C111-F152 PolarHBondContact SG-N 3.43Å; C111-F152 PolarHBondContact SG-O 3.5Å; C111-F152 VanDerWaalsContact SG-O 3.38Å |
| 112 | E | 84.1 | Confident | 76.3 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.4 | 179.7 | -171.3 | 178.5 | 114.5 | 0 | 0 | 109.4 | D123 N124 I148 A149 | E112-D123 WeakPolarHBondContact O-CA 3.25Å; E112-N124 PolarHBondContact N-OD1 3.05Å; E112-I148 HydrophobicContact CG-CG2 3.22Å; E112-I148 WeakPolarHBondContact OE1-CG2 3.33Å; E112-A149 CarbonylContact C-O 3.44Å; E112-A149 WeakPolarHBondContact CA-O 3.04Å |
| 113 | I | 83.2 | Confident | 76.4 | Confident | 17 Ų | 17 | 93.4 Ų | 93.4 | 9% | 0.087 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.4 | 175.9 | -48.3 | 178 | 0 | 0 | 0 | 107.9 | F115 P121 C131 I148 A149 | I113-F115 HydrophobicContact CB-CE2 4.26Å; I113-F115 HydrophobicContact CB-CZ 4.12Å; I113-F115 HydrophobicContact CG2-CD1 4.22Å; I113-F115 HydrophobicContact CG2-CE1 3.7Å; I113-F115 HydrophobicContact CG2-CE2 4.07Å; I113-F115 HydrophobicContact CG2-CZ 3.61Å; I113-P121 HydrophobicContact CG2-CB 3.8Å; I113-C131 HydrophobicContact CD1-CB 4.12Å; I113-C131 HydrophobicContact CG1-CB 3.76Å; I113-C131 WeakPolarHBondContact CG1-SG 3.34Å; I113-I148 WeakPolarHBondContact O-CA 3.41Å; I113-A149 HydrophobicContact CB-CB 4.39Å; I113-A149 PolarHBondContact N-O 3.18Å; I113-A149 PolarHBondContact O-N 2.59Å |
| 114 | T | 81.2 | Confident | 76.7 | Confident | 53 Ų | 53 | 93.7 Ų | 93.7 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 113.1 | 172.5 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | K122 | T114-K122 PolarHBondContact N-O 2.76Å; T114-K122 PolarHBondContact O-N 2.9Å |
| 115 | F | 72.6 | Confident | 77 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | trans | -87.3 | 110.7 | 173.2 | -59.3 | -74.8 | 0 | 0 | 0 | 110 | I113 P121 A146 G147 A149 | I113-F115 HydrophobicContact CB-CE2 4.26Å; I113-F115 HydrophobicContact CB-CZ 4.12Å; I113-F115 HydrophobicContact CG2-CD1 4.22Å; I113-F115 HydrophobicContact CG2-CE1 3.7Å; I113-F115 HydrophobicContact CG2-CE2 4.07Å; I113-F115 HydrophobicContact CG2-CZ 3.61Å; F115-P121 HydrophobicContact CD1-CB 4.3Å; F115-P121 HydrophobicContact CD1-CG 4.27Å; F115-P121 HydrophobicContact CE1-CB 4.3Å; F115-P121 HydrophobicContact CE1-CG 4.31Å; F115-A146 WeakPolarHBondContact O-CA 3.45Å; F115-G147 VanDerWaalsContact CD2-O 3.23Å; F115-G147 WeakPolarHBondContact CD2-O 3.28Å; F115-G147 PolarHBondContact N-O 3.4Å; F115-A149 HydrophobicContact CE2-CB 3.63Å; F115-A149 HydrophobicContact CZ-CB 4.29Å | ||
| 116 | S | 69.5 | Low | 77.1 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | trans | -103.1 | 143.7 | 169.9 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | D118 | S116-D118 PolarHBondContact O-N 3.05Š| ||
| 117 | R | 61.4 | Low | 77.1 | Confident | 231 Ų | 231 | 93.6 Ų | 93.6 | 87% | 0.872 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.3 | -178.2 | -72.9 | -173.1 | 175 | -166.9 | -3.5 | 113.6 | ||
| 118 | D | 62.6 | Low | 76.8 | Confident | 153 Ų | 153 | 86 Ų | 86 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 8.9 | -167.5 | -49 | -47.6 | 0 | 0 | 0 | 113.6 | S116 | S116-D118 PolarHBondContact O-N 3.05Š|
| 119 | R | 59.4 | Low | 76.9 | Confident | 175 Ų | 175 | 83.9 Ų | 83.9 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -139 | 149 | -176 | -61 | -173.1 | -175.2 | -165.6 | 0.5 | 111.2 | ||
| 120 | S | 64.9 | Low | 76.7 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 49% | 0.49 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 140.2 | 166.6 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | K122 | S120-K122 PolarHBondContact O-N 3.46Š|
| 121 | P | 70.2 | Confident | 76.7 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 131.1 | 178 | -23.4 | 31.4 | 0 | 0 | 0 | 110.2 | I113 F115 | I113-P121 HydrophobicContact CG2-CB 3.8Å; F115-P121 HydrophobicContact CD1-CB 4.3Å; F115-P121 HydrophobicContact CD1-CG 4.27Å; F115-P121 HydrophobicContact CE1-CB 4.3Å; F115-P121 HydrophobicContact CE1-CG 4.31Å |
| 122 | K | 77.3 | Confident | 76.6 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -103.6 | 131 | 175.1 | -72 | -168.6 | 173.8 | -163.3 | 0 | 109 | T114 S120 | T114-K122 PolarHBondContact N-O 2.76Å; T114-K122 PolarHBondContact O-N 2.9Å; S120-K122 PolarHBondContact O-N 3.46Å |
| 123 | D | 82.5 | Confident | 76.5 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | trans | -114.5 | 167.3 | 170.4 | 70.2 | 45.1 | 0 | 0 | 0 | 111.6 | E112 C125 C131 | E112-D123 WeakPolarHBondContact O-CA 3.25Å; D123-C125 WeakPolarHBondContact OD1-CB 3.15Å; D123-C125 PolarHBondContact OD1-N 3.12Å; D123-C131 HydrophobicContact CB-CB 3.41Å; D123-C131 VanDerWaalsContact CB-CB 3.41Å; D123-C131 WeakPolarHBondContact OD2-CB 3.44Å; D123-C131 PolarHBondContact OD2-N 3.14Å | ||
| 124 | N | 86.8 | Confident | 76.3 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | trans | -105.4 | 24.5 | 176.4 | 63.8 | -8.2 | 0 | 0 | 0 | 112 | C111 E112 | C111-N124 WeakPolarHBondContact CA-OD1 3.32Å; C111-N124 WeakPolarHBondContact CB-OD1 3.31Å; E112-N124 PolarHBondContact N-OD1 3.05Å | ||
| 125 | C | 84.7 | Confident | 75.7 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 150.4 | 174.8 | -75 | 0 | 0 | 0 | 0 | 110.8 | C111 D123 S129 C153 | C111-C125 WeakPolarHBondContact CB-SG 3.28Å; D123-C125 WeakPolarHBondContact OD1-CB 3.15Å; D123-C125 PolarHBondContact OD1-N 3.12Å; C125-S129 WeakPolarHBondContact CB-OG 3.3Å; C125-C153 WeakPolarHBondContact CA-SG 3.5Å; C125-C153 HydrophobicContact CB-CB 3.94Å; C125-C153 WeakPolarHBondContact CB-SG 3.13Å; C125-C153 WeakPolarHBondContact SG-CA 3.44Å; C125-C153 WeakPolarHBondContact SG-CB 2.99Å; C125-C153 CovalentContact SG-SG 2.04Å; C125-C153 PolarHBondContact SG-SG 3.14Å |
| 126 | P | 80.7 | Confident | 74.9 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 159.9 | 176 | 25.8 | -31.6 | 0 | 0 | 0 | 111.6 | L102 S129 | L102-P126 HydrophobicContact CD2-CG 3.26Å; P126-S129 WeakPolarHBondContact CD-OG 3.28Å; P126-S129 WeakPolarHBondContact CG-OG 3.25Å; P126-S129 PolarHBondContact O-N 2.81Å; P126-S129 VanDerWaalsContact O-N 3.13Å; P126-S129 PolarHBondContact O-OG 2.87Å |
| 127 | E | 76.6 | Confident | 74.1 | Confident | 165 Ų | 165 | 77.5 Ų | 77.5 | 77% | 0.771 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 142.9 | 178.6 | -69 | -174.5 | 167.8 | 0 | 0 | 112.3 | S129 Q172 | E127-S129 PolarHBondContact O-N 3.4Å; E127-Q172 PolarHBondContact O-NE2 2.84Å |
| 128 | G | 74.7 | Confident | 73.4 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K156 Q172 R194 | G128-K156 PolarHBondContact O-N 3.02Å; G128-Q172 VanDerWaalsContact CA-NE2 3.34Å; G128-R194 PolarHBondContact O-NH2 2.86Å |
| 129 | S | 83.5 | Confident | 72.7 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 171.1 | 172 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | C125 P126 E127 C154 | C125-S129 WeakPolarHBondContact CB-OG 3.3Å; P126-S129 WeakPolarHBondContact CD-OG 3.28Å; P126-S129 WeakPolarHBondContact CG-OG 3.25Å; P126-S129 PolarHBondContact O-N 2.81Å; P126-S129 VanDerWaalsContact O-N 3.13Å; P126-S129 PolarHBondContact O-OG 2.87Å; E127-S129 PolarHBondContact O-N 3.4Å; S129-C154 CarbonylContact C-O 3.56Å; S129-C154 WeakPolarHBondContact CA-O 3.4Å; S129-C154 WeakPolarHBondContact CB-O 3.34Å |
| 130 | F | 82.8 | Confident | 72.1 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 11% | 0.114 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.1 | 179.3 | 72 | -80.8 | 0 | 0 | 0 | 110.3 | P97 V132 C153 C154 P155 K156 I192 | P97-F130 HydrophobicContact CG-CZ 3.92Å; F130-V132 HydrophobicContact CD2-CG2 4.08Å; F130-V132 HydrophobicContact CE2-CG2 3.35Å; F130-V132 HydrophobicContact CZ-CG2 3.86Å; F130-C153 WeakPolarHBondContact O-CA 3.26Å; F130-C154 HydrophobicContact CD1-CB 4.12Å; F130-C154 VanDerWaalsContact CD1-O 3.28Å; F130-C154 WeakPolarHBondContact CD1-O 3.37Å; F130-C154 HydrophobicContact CE1-CB 3.58Å; F130-C154 HydrophobicContact CE2-CB 4.41Å; F130-C154 HydrophobicContact CZ-CB 3.74Å; F130-C154 PolarHBondContact N-O 2.9Å; F130-C154 PolarHBondContact O-N 2.92Å; F130-P155 WeakPolarHBondContact CE1-O 3.23Å; F130-K156 HydrophobicContact CD1-CG 4.06Å; F130-I192 HydrophobicContact CD2-CG2 4.16Å; F130-I192 HydrophobicContact CE1-CB 4.48Å; F130-I192 HydrophobicContact CE1-CG2 4.49Å; F130-I192 HydrophobicContact CE2-CG2 3.93Å; F130-I192 HydrophobicContact CZ-CB 4.49Å; F130-I192 HydrophobicContact CZ-CG2 4.12Å |
| 131 | C | 85.9 | Confident | 71 | Confident | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.088 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.2 | -178.9 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | C111 I113 D123 | C111-C131 HydrophobicContact CB-CB 3.76Å; C111-C131 WeakPolarHBondContact CB-SG 3.38Å; C111-C131 WeakPolarHBondContact SG-CA 3.49Å; C111-C131 WeakPolarHBondContact SG-CB 3.34Å; C111-C131 CovalentContact SG-SG 2.01Å; C111-C131 PolarHBondContact SG-SG 3.04Å; I113-C131 HydrophobicContact CD1-CB 4.12Å; I113-C131 HydrophobicContact CG1-CB 3.76Å; I113-C131 WeakPolarHBondContact CG1-SG 3.34Å; D123-C131 HydrophobicContact CB-CB 3.41Å; D123-C131 VanDerWaalsContact CB-CB 3.41Å; D123-C131 WeakPolarHBondContact OD2-CB 3.44Å; D123-C131 PolarHBondContact OD2-N 3.14Å |
| 132 | V | 84 | Confident | 69.9 | Low | 34 Ų | 34 | 72.9 Ų | 72.9 | 21% | 0.206 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.2 | 169.2 | 177.3 | 0 | 0 | 0 | 0 | 109 | F130 G151 F152 C154 | F130-V132 HydrophobicContact CD2-CG2 4.08Å; F130-V132 HydrophobicContact CE2-CG2 3.35Å; F130-V132 HydrophobicContact CZ-CG2 3.86Å; V132-G151 CarbonylContact O-C 3.58Å; V132-G151 WeakPolarHBondContact O-CA 3.05Å; V132-F152 HydrophobicContact CB-CD1 4.44Å; V132-F152 HydrophobicContact CB-CE1 3.99Å; V132-F152 HydrophobicContact CB-CE2 4.19Å; V132-F152 HydrophobicContact CB-CZ 3.84Å; V132-F152 HydrophobicContact CG1-CE1 3.8Å; V132-F152 HydrophobicContact CG1-CE2 4.48Å; V132-F152 HydrophobicContact CG1-CZ 3.69Å; V132-F152 PolarHBondContact N-O 3.18Å; V132-F152 WeakPolarHBondContact O-CD1 3.39Å; V132-F152 PolarHBondContact O-N 2.74Å; V132-C154 HydrophobicContact CG2-CB 4.08Å; V132-C154 WeakPolarHBondContact CG2-SG 2.96Å |
| 133 | S | 82.8 | Confident | 68.3 | Low | 40 Ų | 40 | 75.1 Ų | 75.1 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 145.2 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | G135 E150 | S133-G135 PolarHBondContact O-N 2.95Å; S133-G135 PolarHBondContact OG-N 3.39Å; S133-G135 PolarHBondContact OG-O 3.41Å; S133-E150 WeakPolarHBondContact CA-O 3.4Å; S133-E150 PolarHBondContact OG-O 3.39Å |
| 134 | Y | 78.1 | Confident | 66.8 | Low | 60 Ų | 60 | 79.9 Ų | 79.9 | 24% | 0.235 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -69.3 | -7.4 | 170 | -64 | -62.1 | 0 | 0 | 0 | 113.8 | R92 H94 E150 G151 F152 | R92-Y134 HydrophobicContact CB-CD1 3.72Å; R92-Y134 HydrophobicContact CB-CE1 3.6Å; R92-Y134 HydrophobicContact CG-CD1 3.8Å; R92-Y134 HydrophobicContact CG-CE1 3.94Å; R92-Y134 HydrophobicContact CG-CG 4.27Å; R92-Y134 VanDerWaalsContact NH1-CD2 3.27Å; H94-Y134 AromaticContact CD2-CE1 3.72Å; H94-Y134 AromaticContact NE2-CE1 3.53Å; H94-Y134 AromaticContact NE2-CZ 3.87Å; H94-Y134 PolarHBondContact NE2-OH 3.2Å; Y134-E150 HydrophobicContact CD2-CB 3.99Å; Y134-E150 WeakPolarHBondContact CD2-O 3.44Å; Y134-E150 HydrophobicContact CE2-CB 4.33Å; Y134-E150 PolarHBondContact N-O 3.28Å; Y134-G151 VanDerWaalsContact CE2-C 3.44Å; Y134-G151 VanDerWaalsContact CE2-CA 3.49Å; Y134-G151 VanDerWaalsContact CE2-O 3.31Å; Y134-G151 WeakPolarHBondContact CE2-O 3.41Å; Y134-F152 AromaticContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CE1 4.12Å; Y134-F152 HydrophobicContact CE1-CB 4.49Å; Y134-F152 AromaticContact CE1-CD1 3.33Å; Y134-F152 HydrophobicContact CE1-CD1 3.33Å; Y134-F152 AromaticContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CG 4.28Å; Y134-F152 AromaticContact CZ-CD1 3.84Å |
| 135 | G | 68.2 | Low | 64.9 | Low | 42 Ų | 42 | 84.3 Ų | 84.3 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 138.1 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S133 | S133-G135 PolarHBondContact O-N 2.95Å; S133-G135 PolarHBondContact OG-N 3.39Å; S133-G135 PolarHBondContact OG-O 3.41Å |
| 136 | S | 55.8 | Low | 63.4 | Low | 115 Ų | 115 | 86.6 Ų | 86.6 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -52.1 | 140.3 | -178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 137 | P | 54 | Low | 62.7 | Low | 51 Ų | 51 | 84.8 Ų | 84.8 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 144 | 177 | -14.9 | 19.3 | 0 | 0 | 0 | 110.3 | A139 A149 | P137-A139 PolarHBondContact O-N 3.17Å; P137-A139 VanDerWaalsContact O-N 3.08Å; P137-A149 HydrophobicContact CG-CB 4.34Å |
| 138 | P | 46.8 | Very low | 62.4 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 124.4 | 176 | 22.2 | -30.9 | 0 | 0 | 0 | 108.6 | S140 | P138-S140 PolarHBondContact O-N 3.41Š|
| 139 | A | 47.9 | Very low | 62.6 | Low | 113 Ų | 113 | 81.1 Ų | 81.1 | 93% | 0.934 | 48% | 0.476 | S | S | * | . | trans | -71.5 | 52.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P137 | P137-A139 PolarHBondContact O-N 3.17Å; P137-A139 VanDerWaalsContact O-N 3.08Å | ||
| 140 | S | 45.7 | Very low | 62.5 | Low | 105 Ų | 105 | 85.9 Ų | 85.9 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | trans | -102.8 | 93.3 | 172.6 | 64.3 | 0 | 0 | 0 | 0 | 108.8 | P138 | P138-S140 PolarHBondContact O-N 3.41Š| ||
| 141 | G | 42.2 | Very low | 62.7 | Low | 63 Ų | 63 | 84.6 Ų | 84.6 | 65% | 0.649 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 128 | 118.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R143 | G141-R143 PolarHBondContact O-N 3.34Š|
| 142 | K | 46.3 | Very low | 62.7 | Low | 220 Ų | 220 | 84.1 Ų | 84.1 | 96% | 0.957 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -60 | 24.3 | -177 | -79.8 | 179.8 | 171.5 | 178.6 | 0 | 116.4 | ||
| 143 | R | 44.6 | Very low | 62.9 | Low | 174 Ų | 174 | 82.5 Ų | 82.5 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | trans | -143.8 | 103.3 | 173.8 | -66.1 | -172.6 | 176.3 | 177.9 | -1.6 | 108.3 | G141 R145 | G141-R143 PolarHBondContact O-N 3.34Å; R143-R145 HydrophobicContact CB-CG 4.1Å; R143-R145 PolarHBondContact O-N 3.07Å | ||
| 144 | L | 50.1 | Low | 62.9 | Low | 165 Ų | 165 | 80.6 Ų | 80.6 | 86% | 0.864 | 47% | 0.465 | S | S | * | . | trans | -63 | 65.6 | 162.8 | -79.7 | 141.9 | 0 | 0 | 0 | 109.3 | ||||
| 145 | R | 46.4 | Very low | 63.1 | Low | 184 Ų | 184 | 79.6 Ų | 79.6 | 69% | 0.694 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -95 | 109.6 | 169.5 | -78.8 | 178.2 | 176.9 | -168.8 | -3.8 | 104.8 | R143 | R143-R145 HydrophobicContact CB-CG 4.1Å; R143-R145 PolarHBondContact O-N 3.07Å |
| 146 | A | 55.2 | Low | 63.4 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 43.4 | 79.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F115 I148 | F115-A146 WeakPolarHBondContact O-CA 3.45Å; A146-I148 PolarHBondContact O-N 2.97Å |
| 147 | G | 65.2 | Low | 64.2 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 21% | 0.206 | 43% | 0.428 | C | S | . | . | trans | -59.8 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F115 | F115-G147 VanDerWaalsContact CD2-O 3.23Å; F115-G147 WeakPolarHBondContact CD2-O 3.28Å; F115-G147 PolarHBondContact N-O 3.4Å | ||
| 148 | I | 70.4 | Confident | 64.9 | Low | 91 Ų | 91 | 77.7 Ų | 77.7 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.9 | 164.1 | -69.4 | 175.6 | 0 | 0 | 0 | 105.8 | E112 I113 A146 | E112-I148 HydrophobicContact CG-CG2 3.22Å; E112-I148 WeakPolarHBondContact OE1-CG2 3.33Å; I113-I148 WeakPolarHBondContact O-CA 3.41Å; A146-I148 PolarHBondContact O-N 2.97Å |
| 149 | A | 77.7 | Confident | 66.2 | Low | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E112 I113 F115 P137 | E112-A149 CarbonylContact C-O 3.44Å; E112-A149 WeakPolarHBondContact CA-O 3.04Å; I113-A149 HydrophobicContact CB-CB 4.39Å; I113-A149 PolarHBondContact N-O 3.18Å; I113-A149 PolarHBondContact O-N 2.59Å; F115-A149 HydrophobicContact CE2-CB 3.63Å; F115-A149 HydrophobicContact CZ-CB 4.29Å; P137-A149 HydrophobicContact CG-CB 4.34Å |
| 150 | E | 82.4 | Confident | 67.5 | Low | 111 Ų | 111 | 72 Ų | 72 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 147.6 | 170.8 | -63.8 | -172.6 | 165.8 | 0 | 0 | 111 | R92 S133 Y134 | R92-E150 IonicContact CZ-OE2 3.39Å; R92-E150 IonicContact NH1-OE2 2.79Å; R92-E150 PolarHBondContact NH1-OE2 3.23Å; R92-E150 IonicContact NH2-OE2 2.65Å; R92-E150 PolarHBondContact NH2-OE2 3.02Å; S133-E150 WeakPolarHBondContact CA-O 3.4Å; S133-E150 PolarHBondContact OG-O 3.39Å; Y134-E150 HydrophobicContact CD2-CB 3.99Å; Y134-E150 WeakPolarHBondContact CD2-O 3.44Å; Y134-E150 HydrophobicContact CE2-CB 4.33Å; Y134-E150 PolarHBondContact N-O 3.28Å |
| 151 | G | 87.1 | Confident | 69 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | -165 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K110 C111 V132 Y134 | K110-G151 WeakPolarHBondContact CA-O 3.05Å; C111-G151 PolarHBondContact N-O 3.1Å; C111-G151 PolarHBondContact O-N 2.88Å; V132-G151 CarbonylContact O-C 3.58Å; V132-G151 WeakPolarHBondContact O-CA 3.05Å; Y134-G151 VanDerWaalsContact CE2-C 3.44Å; Y134-G151 VanDerWaalsContact CE2-CA 3.49Å; Y134-G151 VanDerWaalsContact CE2-O 3.31Å; Y134-G151 WeakPolarHBondContact CE2-O 3.41Å |
| 152 | F | 86.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.2 | 171.9 | 59.7 | -78.6 | 0 | 0 | 0 | 110.9 | I93 H94 P101 I108 K109 C111 V132 Y134 C154 | I93-F152 WeakPolarHBondContact O-CE1 3.12Å; H94-F152 VanDerWaalsContact CA-CZ 3.49Å; H94-F152 HydrophobicContact CB-CD2 4.41Å; H94-F152 HydrophobicContact CB-CE2 4.2Å; H94-F152 HydrophobicContact CB-CZ 4.38Å; H94-F152 AromaticContact CD2-CD1 3.84Å; H94-F152 AromaticContact CD2-CG 3.83Å; P101-F152 HydrophobicContact CB-CD2 3.86Å; P101-F152 HydrophobicContact CB-CE2 4.26Å; I108-F152 HydrophobicContact CG2-CB 3.72Å; I108-F152 HydrophobicContact CG2-CG 4.46Å; K109-F152 CarbonylContact O-C 3.49Å; K109-F152 WeakPolarHBondContact O-CA 3.22Å; C111-F152 WeakPolarHBondContact SG-CA 3.47Å; C111-F152 PolarHBondContact SG-N 3.43Å; C111-F152 PolarHBondContact SG-O 3.5Å; C111-F152 VanDerWaalsContact SG-O 3.38Å; V132-F152 HydrophobicContact CB-CD1 4.44Å; V132-F152 HydrophobicContact CB-CE1 3.99Å; V132-F152 HydrophobicContact CB-CE2 4.19Å; V132-F152 HydrophobicContact CB-CZ 3.84Å; V132-F152 HydrophobicContact CG1-CE1 3.8Å; V132-F152 HydrophobicContact CG1-CE2 4.48Å; V132-F152 HydrophobicContact CG1-CZ 3.69Å; V132-F152 PolarHBondContact N-O 3.18Å; V132-F152 WeakPolarHBondContact O-CD1 3.39Å; V132-F152 PolarHBondContact O-N 2.74Å; Y134-F152 AromaticContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CE1 4.12Å; Y134-F152 HydrophobicContact CE1-CB 4.49Å; Y134-F152 AromaticContact CE1-CD1 3.33Å; Y134-F152 HydrophobicContact CE1-CD1 3.33Å; Y134-F152 AromaticContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CG 4.28Å; Y134-F152 AromaticContact CZ-CD1 3.84Å; F152-C154 WeakPolarHBondContact CE2-SG 3.44Å |
| 153 | C | 87.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.4 | -178.3 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | L102 K109 C125 F130 | L102-C153 HydrophobicContact CB-CB 4.11Å; L102-C153 WeakPolarHBondContact CB-O 3.14Å; L102-C153 HydrophobicContact CD2-CB 4.22Å; L102-C153 PolarHBondContact N-O 3.26Å; K109-C153 HydrophobicContact CB-CB 4.24Å; K109-C153 HydrophobicContact CG-CB 4.15Å; K109-C153 PolarHBondContact O-N 3.33Å; C125-C153 WeakPolarHBondContact CA-SG 3.5Å; C125-C153 HydrophobicContact CB-CB 3.94Å; C125-C153 WeakPolarHBondContact CB-SG 3.13Å; C125-C153 WeakPolarHBondContact SG-CA 3.44Å; C125-C153 WeakPolarHBondContact SG-CB 2.99Å; C125-C153 CovalentContact SG-SG 2.04Å; C125-C153 PolarHBondContact SG-SG 3.14Å; F130-C153 WeakPolarHBondContact O-CA 3.26Å |
| 154 | C | 82.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.8 | 171.8 | -71 | 0 | 0 | 0 | 0 | 110 | C96 S129 F130 V132 F152 | C96-C154 WeakPolarHBondContact CA-SG 3.45Å; C96-C154 HydrophobicContact CB-CB 3.66Å; C96-C154 WeakPolarHBondContact CB-SG 3.03Å; C96-C154 WeakPolarHBondContact SG-CA 3.49Å; C96-C154 WeakPolarHBondContact SG-CB 2.95Å; C96-C154 CovalentContact SG-SG 2.03Å; C96-C154 PolarHBondContact SG-SG 2.87Å; S129-C154 CarbonylContact C-O 3.56Å; S129-C154 WeakPolarHBondContact CA-O 3.4Å; S129-C154 WeakPolarHBondContact CB-O 3.34Å; F130-C154 HydrophobicContact CD1-CB 4.12Å; F130-C154 VanDerWaalsContact CD1-O 3.28Å; F130-C154 WeakPolarHBondContact CD1-O 3.37Å; F130-C154 HydrophobicContact CE1-CB 3.58Å; F130-C154 HydrophobicContact CE2-CB 4.41Å; F130-C154 HydrophobicContact CZ-CB 3.74Å; F130-C154 PolarHBondContact N-O 2.9Å; F130-C154 PolarHBondContact O-N 2.92Å; V132-C154 HydrophobicContact CG2-CB 4.08Å; V132-C154 WeakPolarHBondContact CG2-SG 2.96Å; F152-C154 WeakPolarHBondContact CE2-SG 3.44Å |
| 155 | P | 81.3 | Confident | 74.1 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 25% | 0.253 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143.9 | 170.4 | 16.4 | -15.1 | 0 | 0 | 0 | 110.2 | S98 A100 F130 | S98-P155 WeakPolarHBondContact OG-CD 3.4Å; S98-P155 VanDerWaalsContact OG-CG 3.28Å; S98-P155 WeakPolarHBondContact OG-CG 3.47Å; S98-P155 PolarHBondContact OG-O 2.94Å; A100-P155 VanDerWaalsContact O-CD 3.25Å; A100-P155 WeakPolarHBondContact O-CD 3.44Å; F130-P155 WeakPolarHBondContact CE1-O 3.23Å |
| 156 | K | 74.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 46 Ų | 46 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.2 | 170.6 | -70 | -175.1 | -178.7 | -169.8 | 0 | 109.9 | G128 F130 H191 I192 R194 | G128-K156 PolarHBondContact O-N 3.02Å; F130-K156 HydrophobicContact CD1-CG 4.06Å; K156-H191 WeakPolarHBondContact CE-O 3.4Å; K156-H191 PolarHBondContact NZ-O 3.27Å; K156-I192 CarbonylContact C-O 3.44Å; K156-I192 VanDerWaalsContact CA-O 3.31Å; K156-I192 WeakPolarHBondContact CA-O 3.19Å; K156-I192 VanDerWaalsContact CB-O 3.32Å; K156-I192 WeakPolarHBondContact CB-O 3.43Å; K156-R194 HydrophobicContact CB-CB 4.08Å |
| 157 | M | 72.8 | Confident | 76.7 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.1 | 173.6 | -63.8 | -179.5 | -61.9 | 0 | 0 | 110.2 | P97 I192 W193 R194 | P97-M157 HydrophobicContact CB-CG 4.46Å; P97-M157 HydrophobicContact CB-SD 3.84Å; M157-I192 HydrophobicContact CE-CB 4.43Å; M157-I192 HydrophobicContact CE-CD1 3.53Å; M157-I192 HydrophobicContact CE-CG1 3.83Å; M157-I192 PolarHBondContact N-O 2.9Å; M157-W193 HydrophobicContact CB-CD2 4.45Å; M157-W193 HydrophobicContact CB-CE3 3.94Å; M157-W193 HydrophobicContact CB-CZ3 4.05Å; M157-W193 HydrophobicContact CE-CD2 4.14Å; M157-W193 HydrophobicContact CE-CE3 4.47Å; M157-W193 HydrophobicContact CE-CH2 4.02Å; M157-W193 HydrophobicContact CE-CZ2 3.63Å; M157-W193 HydrophobicContact CE-CZ3 4.42Å; M157-R194 PolarHBondContact O-N 2.81Å |
| 158 | D | 69.7 | Low | 76.9 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.8 | 175.4 | -57 | -41.3 | 0 | 0 | 0 | 109.5 | Y168 W193 R194 | D158-Y168 HydrophobicContact CB-CE1 4.38Å; D158-Y168 VanDerWaalsContact OD1-CE1 3.3Å; D158-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; D158-Y168 PolarHBondContact OD2-OH 3.39Å; D158-Y168 VanDerWaalsContact OD2-OH 3.04Å; D158-W193 VanDerWaalsContact O-CZ3 3.25Å; D158-W193 WeakPolarHBondContact O-CZ3 3.34Å; D158-R194 IonicContact OD1-NH1 3.76Å |
| 159 | S | 74.3 | Confident | 77 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.1 | 174 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | Q187 S188 R194 | S159-Q187 WeakPolarHBondContact OG-CA 3.26Å; S159-S188 WeakPolarHBondContact CA-OG 3.44Å; S159-S188 WeakPolarHBondContact CB-OG 3.48Å; S159-S188 PolarHBondContact OG-N 2.87Å; S159-R194 VanDerWaalsContact CB-O 3.28Å; S159-R194 WeakPolarHBondContact CB-O 3.34Å; S159-R194 PolarHBondContact OG-O 3.19Å |
| 160 | V | 75.4 | Confident | 76 | Confident | 101 Ų | 101 | 53.1 Ų | 53.1 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 121.1 | 178 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | H186 S188 W193 | V160-H186 PolarHBondContact O-CD2 2.81Å; V160-H186 VanDerWaalsContact O-CD2 3.31Å; V160-H186 PolarHBondContact O-NE2 3.08Å; V160-S188 PolarHBondContact N-OG 2.84Å; V160-S188 PolarHBondContact O-OG 3.38Å; V160-S188 VanDerWaalsContact O-OG 3.12Å; V160-W193 HydrophobicContact CG2-CZ3 4.47Å |
| 161 | C | 76.4 | Confident | 75 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.095 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 142.2 | 178.3 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | V163 P166 C198 | C161-V163 WeakPolarHBondContact CB-O 3.5Å; C161-V163 PolarHBondContact O-N 2.86Å; C161-P166 WeakPolarHBondContact SG-CA 3.49Å; C161-C198 WeakPolarHBondContact CA-SG 3.42Å; C161-C198 HydrophobicContact CB-CB 3.64Å; C161-C198 WeakPolarHBondContact CB-SG 3.24Å; C161-C198 WeakPolarHBondContact SG-CA 3.42Å; C161-C198 WeakPolarHBondContact SG-CB 3.03Å; C161-C198 CovalentContact SG-SG 2.04Å; C161-C198 PolarHBondContact SG-SG 3.18Å |
| 162 | P | 72.2 | Confident | 73.8 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61 | -35.6 | 173.3 | -24.9 | 35.4 | 0 | 0 | 0 | 112.8 | F184 | P162-F184 HydrophobicContact CG-CZ 4.04Š|
| 163 | V | 72.1 | Confident | 73.1 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -139.9 | 143.3 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | C161 P201 L208 | C161-V163 WeakPolarHBondContact CB-O 3.5Å; C161-V163 PolarHBondContact O-N 2.86Å; V163-P201 HydrophobicContact CB-CB 4.33Å; V163-P201 HydrophobicContact CG2-CB 3.74Å; V163-L208 HydrophobicContact CG2-CD2 4.44Å |
| 164 | G | 71.6 | Confident | 72.6 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 73.6 | -166.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 165 | N | 74.9 | Confident | 72.5 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | trans | -105.2 | 145.7 | 178.7 | -66.6 | -45.1 | 0 | 0 | 0 | 110.3 | I167 | N165-I167 PolarHBondContact O-N 2.86Š| ||
| 166 | P | 78.5 | Confident | 72.3 | Confident | 34 Ų | 34 | 72.4 Ų | 72.4 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 133 | 176.3 | 27 | -34.3 | 0 | 0 | 0 | 111.6 | C161 V196 | C161-P166 WeakPolarHBondContact SG-CA 3.49Å; P166-V196 HydrophobicContact CB-CB 3.8Å; P166-V196 HydrophobicContact CB-CG1 4.1Å; P166-V196 HydrophobicContact CB-CG2 3.59Å |
| 167 | I | 76.7 | Confident | 72.5 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -100.7 | 134.9 | 171.7 | -55.4 | -179.2 | 0 | 0 | 0 | 109.6 | N165 H183 C197 | N165-I167 PolarHBondContact O-N 2.86Å; I167-H183 WeakPolarHBondContact CD1-NE2 3.28Å; I167-C197 HydrophobicContact CB-CB 3.93Å; I167-C197 PolarHBondContact N-O 2.6Å; I167-C197 WeakPolarHBondContact O-CB 3.16Å; I167-C197 PolarHBondContact O-N 2.85Å; I167-C197 VanDerWaalsContact O-N 3.1Å |
| 168 | Y | 70.5 | Confident | 72.9 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 131.7 | 179.5 | -54.1 | -77.4 | 0 | 0 | 0 | 111.4 | D158 V196 | D158-Y168 HydrophobicContact CB-CE1 4.38Å; D158-Y168 VanDerWaalsContact OD1-CE1 3.3Å; D158-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; D158-Y168 PolarHBondContact OD2-OH 3.39Å; D158-Y168 VanDerWaalsContact OD2-OH 3.04Å; Y168-V196 HydrophobicContact CE1-CG1 4.35Å |
| 169 | V | 71.9 | Confident | 73.5 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -101 | 139.5 | 172.6 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | D171 Q172 N177 | V169-D171 VanDerWaalsContact C-N 3.27Å; V169-D171 PolarHBondContact O-N 2.01Å; V169-Q172 PolarHBondContact O-N 2.86Å; V169-N177 HydrophobicContact CB-CB 3.58Å; V169-N177 HydrophobicContact CG1-CB 3.53Å; V169-N177 HydrophobicContact CG2-CB 4.19Å |
| 170 | A | 57.8 | Low | 73.5 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 84% | 0.843 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 171 | D | 60.5 | Low | 73.4 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 9 | -175.6 | -58.4 | -38 | 0 | 0 | 0 | 114.3 | V169 N173 N177 | V169-D171 VanDerWaalsContact C-N 3.27Å; V169-D171 PolarHBondContact O-N 2.01Å; D171-N173 HydrophobicContact CB-CB 4.49Å; D171-N173 PolarHBondContact O-N 2.04Å; D171-N177 PolarHBondContact OD2-ND2 2.88Å |
| 172 | Q | 61 | Low | 73.3 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 53.1 | 3.2 | -171.4 | -57.9 | -177.1 | 25.5 | 0 | 0 | 115.5 | E127 G128 V169 C174 | E127-Q172 PolarHBondContact O-NE2 2.84Å; G128-Q172 VanDerWaalsContact CA-NE2 3.34Å; V169-Q172 PolarHBondContact O-N 2.86Å; Q172-C174 PolarHBondContact O-N 3.13Å; Q172-C174 VanDerWaalsContact O-N 3.14Å |
| 173 | N | 73.5 | Confident | 73.7 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | trans | -84.9 | 83.3 | 171.5 | -170.5 | -14.4 | 0 | 0 | 0 | 108.1 | D171 K176 N177 | D171-N173 HydrophobicContact CB-CB 4.49Å; D171-N173 PolarHBondContact O-N 2.04Å; N173-K176 HydrophobicContact CB-CB 4.44Å; N173-K176 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact OD1-N 2.91Å; N173-N177 WeakPolarHBondContact O-CB 3.42Å; N173-N177 PolarHBondContact O-N 2.61Å; N173-N177 VanDerWaalsContact O-N 3.14Å | ||
| 174 | C | 77.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | -178 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | Q172 K176 N177 C178 C185 E195 | Q172-C174 PolarHBondContact O-N 3.13Å; Q172-C174 VanDerWaalsContact O-N 3.14Å; C174-K176 PolarHBondContact O-N 2.03Å; C174-N177 PolarHBondContact O-N 3.41Å; C174-N177 VanDerWaalsContact O-N 3.12Å; C174-C178 WeakPolarHBondContact O-CA 3.12Å; C174-C178 WeakPolarHBondContact O-CB 3.46Å; C174-C178 PolarHBondContact O-N 3.23Å; C174-C185 HydrophobicContact CB-CB 3.87Å; C174-C185 WeakPolarHBondContact CB-SG 3.37Å; C174-C185 PolarHBondContact O-SG 2.71Å; C174-C185 WeakPolarHBondContact SG-CA 3.32Å; C174-C185 WeakPolarHBondContact SG-CB 3.41Å; C174-C185 CovalentContact SG-SG 2.04Å; C174-C185 PolarHBondContact SG-SG 3.31Å; C174-E195 HydrophobicContact CB-CG 3.71Å; C174-E195 WeakPolarHBondContact CB-OE2 3.47Å |
| 175 | E | 78.9 | Confident | 74.8 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -51.1 | -41.5 | -176.3 | -65.5 | -177.8 | 169.5 | 0 | 0 | 113.4 | Q180 C185 | E175-Q180 PolarHBondContact O-NE2 3.04Å; E175-C185 PolarHBondContact N-SG 2.99Å; E175-C185 VanDerWaalsContact N-SG 3.44Å |
| 176 | K | 77.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 69 Ų | 69 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -80.1 | -38.4 | -178.2 | -172.2 | 180 | 176.9 | -171.7 | 0 | 113.7 | N173 C174 | N173-K176 HydrophobicContact CB-CB 4.44Å; N173-K176 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact OD1-N 2.91Å; C174-K176 PolarHBondContact O-N 2.03Å |
| 177 | N | 79.4 | Confident | 75.2 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -102.8 | -9.4 | -168.9 | -68 | -28.7 | 0 | 0 | 0 | 113.1 | V169 D171 N173 C174 | V169-N177 HydrophobicContact CB-CB 3.58Å; V169-N177 HydrophobicContact CG1-CB 3.53Å; V169-N177 HydrophobicContact CG2-CB 4.19Å; D171-N177 PolarHBondContact OD2-ND2 2.88Å; N173-N177 WeakPolarHBondContact O-CB 3.42Å; N173-N177 PolarHBondContact O-N 2.61Å; N173-N177 VanDerWaalsContact O-N 3.14Å; C174-N177 PolarHBondContact O-N 3.41Å; C174-N177 VanDerWaalsContact O-N 3.12Å |
| 178 | C | 80.9 | Confident | 75 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -77.4 | 132.4 | 176.5 | -150.2 | 0 | 0 | 0 | 0 | 110.6 | C174 Q180 C197 | C174-C178 WeakPolarHBondContact O-CA 3.12Å; C174-C178 WeakPolarHBondContact O-CB 3.46Å; C174-C178 PolarHBondContact O-N 3.23Å; C178-Q180 PolarHBondContact O-N 3.3Å; C178-C197 WeakPolarHBondContact CA-SG 3.05Å; C178-C197 HydrophobicContact CB-CB 4.37Å; C178-C197 WeakPolarHBondContact CB-SG 3.36Å; C178-C197 WeakPolarHBondContact SG-CA 3.48Å; C178-C197 WeakPolarHBondContact SG-CB 3.35Å; C178-C197 CovalentContact SG-SG 2.04Å; C178-C197 PolarHBondContact SG-SG 2.96Å |
| 179 | P | 81.4 | Confident | 74.8 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | trans | -68.1 | 96.4 | 174.9 | 27.2 | -32.2 | 0 | 0 | 0 | 109.6 | D181 T182 H183 | P179-D181 WeakPolarHBondContact CB-OD1 3.34Å; P179-D181 PolarHBondContact O-N 3.45Å; P179-D181 VanDerWaalsContact O-N 3.08Å; P179-T182 PolarHBondContact O-N 3.34Å; P179-H183 HydrophobicContact CG-CB 3.94Å; P179-H183 WeakPolarHBondContact CG-ND1 3.07Å; P179-H183 WeakPolarHBondContact O-CA 3.31Å; P179-H183 WeakPolarHBondContact O-CB 3.39Å; P179-H183 PolarHBondContact O-N 2.82Å | ||
| 180 | Q | 76.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 71.8 Ų | 71.8 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.4 | -173.5 | -64.8 | -65.5 | -22.3 | 0 | 0 | 114 | E175 C178 K200 | E175-Q180 PolarHBondContact O-NE2 3.04Å; C178-Q180 PolarHBondContact O-N 3.3Å; Q180-K200 WeakPolarHBondContact O-CE 3.05Å; Q180-K200 PolarHBondContact O-NZ 2.68Å |
| 181 | D | 72.2 | Confident | 75.2 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -44.6 | 177.5 | 61.2 | -21.2 | 0 | 0 | 0 | 111.8 | P179 | P179-D181 WeakPolarHBondContact CB-OD1 3.34Å; P179-D181 PolarHBondContact O-N 3.45Å; P179-D181 VanDerWaalsContact O-N 3.08Å |
| 182 | T | 73.4 | Confident | 75.6 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -23.3 | -171.1 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | P179 K200 | P179-T182 PolarHBondContact O-N 3.34Å; T182-K200 WeakPolarHBondContact O-CB 3.39Å; T182-K200 PolarHBondContact O-N 3.4Å |
| 183 | H | 82.4 | Confident | 76.1 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 164.2 | -174.7 | -64.4 | 66.5 | 0 | 0 | 0 | 111.3 | I167 P179 C197 C198 E199 K200 | I167-H183 WeakPolarHBondContact CD1-NE2 3.28Å; P179-H183 HydrophobicContact CG-CB 3.94Å; P179-H183 WeakPolarHBondContact CG-ND1 3.07Å; P179-H183 WeakPolarHBondContact O-CA 3.31Å; P179-H183 WeakPolarHBondContact O-CB 3.39Å; P179-H183 PolarHBondContact O-N 2.82Å; H183-C197 HydrophobicContact CB-CB 4.32Å; H183-C198 CarbonylContact C-O 3.59Å; H183-C198 WeakPolarHBondContact CA-O 3.01Å; H183-C198 WeakPolarHBondContact CB-O 3.24Å; H183-C198 VanDerWaalsContact CD2-C 3.46Å; H183-E199 PolarHBondContact CD2-N 3.3Å; H183-K200 WeakPolarHBondContact O-CE 3.33Å |
| 184 | F | 82.9 | Confident | 76.1 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156 | 171.5 | 72.7 | -78.5 | 0 | 0 | 0 | 109.8 | P162 H186 C198 K200 | P162-F184 HydrophobicContact CG-CZ 4.04Å; F184-H186 HydrophobicContact CD2-CB 4.28Å; F184-H186 HydrophobicContact CE2-CB 3.67Å; F184-H186 HydrophobicContact CZ-CB 4.21Å; F184-C198 HydrophobicContact CD1-CB 4.12Å; F184-C198 VanDerWaalsContact CD1-O 3.31Å; F184-C198 WeakPolarHBondContact CD1-O 3.38Å; F184-C198 HydrophobicContact CE1-CB 3.57Å; F184-C198 HydrophobicContact CE2-CB 4.43Å; F184-C198 HydrophobicContact CZ-CB 3.75Å; F184-C198 PolarHBondContact N-O 2.73Å; F184-C198 PolarHBondContact O-N 3.17Å; F184-K200 HydrophobicContact CB-CG 4.4Å; F184-K200 HydrophobicContact CD1-CG 3.95Å |
| 185 | C | 83.1 | Confident | 76.2 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.7 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | C174 E175 E195 | C174-C185 HydrophobicContact CB-CB 3.87Å; C174-C185 WeakPolarHBondContact CB-SG 3.37Å; C174-C185 PolarHBondContact O-SG 2.71Å; C174-C185 WeakPolarHBondContact SG-CA 3.32Å; C174-C185 WeakPolarHBondContact SG-CB 3.41Å; C174-C185 CovalentContact SG-SG 2.04Å; C174-C185 PolarHBondContact SG-SG 3.31Å; E175-C185 PolarHBondContact N-SG 2.99Å; E175-C185 VanDerWaalsContact N-SG 3.44Å; C185-E195 HydrophobicContact CB-CG 4.08Å |
| 186 | H | 82.1 | Confident | 76.3 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.2 | -178.6 | -174.5 | 59 | 0 | 0 | 0 | 111.9 | V160 F184 S188 E195 V196 C198 | V160-H186 PolarHBondContact O-CD2 2.81Å; V160-H186 VanDerWaalsContact O-CD2 3.31Å; V160-H186 PolarHBondContact O-NE2 3.08Å; F184-H186 HydrophobicContact CD2-CB 4.28Å; F184-H186 HydrophobicContact CE2-CB 3.67Å; F184-H186 HydrophobicContact CZ-CB 4.21Å; H186-S188 PolarHBondContact NE2-OG 2.74Å; H186-E195 WeakPolarHBondContact O-CA 3.47Å; H186-V196 PolarHBondContact N-O 3.39Å; H186-V196 PolarHBondContact O-N 2.68Å; H186-C198 HydrophobicContact CB-CB 4.2Å; H186-C198 VanDerWaalsContact CB-SG 3.51Å |
| 187 | Q | 79.1 | Confident | 76.6 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | trans | -127.9 | 116.9 | 169.7 | -159.3 | -173.1 | 8.9 | 0 | 0 | 109 | S159 G189 E190 W193 | S159-Q187 WeakPolarHBondContact OG-CA 3.26Å; Q187-G189 WeakPolarHBondContact CG-O 3.45Å; Q187-G189 PolarHBondContact NE2-O 2.91Å; Q187-G189 PolarHBondContact O-N 3.2Å; Q187-E190 PolarHBondContact NE2-O 3.3Å; Q187-W193 HydrophobicContact CG-CB 4.02Å; Q187-W193 PolarHBondContact NE2-O 3.11Å | ||
| 188 | S | 73.2 | Confident | 76.8 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -74.8 | -7.8 | -175.1 | -53.6 | 0 | 0 | 0 | 0 | 114 | S159 V160 H186 | S159-S188 WeakPolarHBondContact CA-OG 3.44Å; S159-S188 WeakPolarHBondContact CB-OG 3.48Å; S159-S188 PolarHBondContact OG-N 2.87Å; V160-S188 PolarHBondContact N-OG 2.84Å; V160-S188 PolarHBondContact O-OG 3.38Å; V160-S188 VanDerWaalsContact O-OG 3.12Å; H186-S188 PolarHBondContact NE2-OG 2.74Å |
| 189 | G | 66.2 | Low | 76.8 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -171.7 | -162.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q187 W193 | Q187-G189 WeakPolarHBondContact CG-O 3.45Å; Q187-G189 PolarHBondContact NE2-O 2.91Å; Q187-G189 PolarHBondContact O-N 3.2Å; G189-W193 VanDerWaalsContact C-CD1 3.45Å |
| 190 | E | 71.8 | Confident | 76.7 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 73% | 0.729 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -82.5 | -150.4 | -173.7 | -57.8 | -170.8 | 163.8 | 0 | 0 | 113.5 | Q187 I192 W193 | Q187-E190 PolarHBondContact NE2-O 3.3Å; E190-I192 PolarHBondContact O-N 2.85Å; E190-W193 PolarHBondContact O-N 2.87Å |
| 191 | H | 66.8 | Low | 76.6 | Confident | 123 Ų | 123 | 59 Ų | 59 | 57% | 0.569 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -24.4 | -167.4 | -63.2 | -66.1 | 0 | 0 | 0 | 117.5 | K156 | K156-H191 WeakPolarHBondContact CE-O 3.4Å; K156-H191 PolarHBondContact NZ-O 3.27Å |
| 192 | I | 68.5 | Low | 76.8 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 33% | 0.328 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13 | 179.1 | 66.9 | -178.8 | 0 | 0 | 0 | 113.9 | F130 K156 M157 E190 | F130-I192 HydrophobicContact CD2-CG2 4.16Å; F130-I192 HydrophobicContact CE1-CB 4.48Å; F130-I192 HydrophobicContact CE1-CG2 4.49Å; F130-I192 HydrophobicContact CE2-CG2 3.93Å; F130-I192 HydrophobicContact CZ-CB 4.49Å; F130-I192 HydrophobicContact CZ-CG2 4.12Å; K156-I192 CarbonylContact C-O 3.44Å; K156-I192 VanDerWaalsContact CA-O 3.31Å; K156-I192 WeakPolarHBondContact CA-O 3.19Å; K156-I192 VanDerWaalsContact CB-O 3.32Å; K156-I192 WeakPolarHBondContact CB-O 3.43Å; M157-I192 HydrophobicContact CE-CB 4.43Å; M157-I192 HydrophobicContact CE-CD1 3.53Å; M157-I192 HydrophobicContact CE-CG1 3.83Å; M157-I192 PolarHBondContact N-O 2.9Å; E190-I192 PolarHBondContact O-N 2.85Å |
| 193 | W | 70.8 | Confident | 76.8 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.2 | -177.8 | -62.6 | 90.5 | 0 | 0 | 0 | 110.9 | M157 D158 V160 Q187 G189 E190 | M157-W193 HydrophobicContact CB-CD2 4.45Å; M157-W193 HydrophobicContact CB-CE3 3.94Å; M157-W193 HydrophobicContact CB-CZ3 4.05Å; M157-W193 HydrophobicContact CE-CD2 4.14Å; M157-W193 HydrophobicContact CE-CE3 4.47Å; M157-W193 HydrophobicContact CE-CH2 4.02Å; M157-W193 HydrophobicContact CE-CZ2 3.63Å; M157-W193 HydrophobicContact CE-CZ3 4.42Å; D158-W193 VanDerWaalsContact O-CZ3 3.25Å; D158-W193 WeakPolarHBondContact O-CZ3 3.34Å; V160-W193 HydrophobicContact CG2-CZ3 4.47Å; Q187-W193 HydrophobicContact CG-CB 4.02Å; Q187-W193 PolarHBondContact NE2-O 3.11Å; G189-W193 VanDerWaalsContact C-CD1 3.45Å; E190-W193 PolarHBondContact O-N 2.87Å |
| 194 | R | 74.9 | Confident | 76.1 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 137.6 | 173.4 | 179.6 | -175.7 | -69.7 | 162 | -0.5 | 109.8 | G128 K156 M157 D158 S159 | G128-R194 PolarHBondContact O-NH2 2.86Å; K156-R194 HydrophobicContact CB-CB 4.08Å; M157-R194 PolarHBondContact O-N 2.81Å; D158-R194 IonicContact OD1-NH1 3.76Å; S159-R194 VanDerWaalsContact CB-O 3.28Å; S159-R194 WeakPolarHBondContact CB-O 3.34Å; S159-R194 PolarHBondContact OG-O 3.19Å |
| 195 | E | 79.9 | Confident | 75.4 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 131.6 | 169.7 | -172.4 | 176.5 | -125.4 | 0 | 0 | 110.7 | C174 C185 H186 | C174-E195 HydrophobicContact CB-CG 3.71Å; C174-E195 WeakPolarHBondContact CB-OE2 3.47Å; C185-E195 HydrophobicContact CB-CG 4.08Å; H186-E195 WeakPolarHBondContact O-CA 3.47Å |
| 196 | V | 80.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 160.2 | -177.2 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | P166 Y168 H186 | P166-V196 HydrophobicContact CB-CB 3.8Å; P166-V196 HydrophobicContact CB-CG1 4.1Å; P166-V196 HydrophobicContact CB-CG2 3.59Å; Y168-V196 HydrophobicContact CE1-CG1 4.35Å; H186-V196 PolarHBondContact N-O 3.39Å; H186-V196 PolarHBondContact O-N 2.68Å |
| 197 | C | 83.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.4 | 169 | -76.1 | 0 | 0 | 0 | 0 | 110.3 | I167 C178 H183 | I167-C197 HydrophobicContact CB-CB 3.93Å; I167-C197 PolarHBondContact N-O 2.6Å; I167-C197 WeakPolarHBondContact O-CB 3.16Å; I167-C197 PolarHBondContact O-N 2.85Å; I167-C197 VanDerWaalsContact O-N 3.1Å; C178-C197 WeakPolarHBondContact CA-SG 3.05Å; C178-C197 HydrophobicContact CB-CB 4.37Å; C178-C197 WeakPolarHBondContact CB-SG 3.36Å; C178-C197 WeakPolarHBondContact SG-CA 3.48Å; C178-C197 WeakPolarHBondContact SG-CB 3.35Å; C178-C197 CovalentContact SG-SG 2.04Å; C178-C197 PolarHBondContact SG-SG 2.96Å; H183-C197 HydrophobicContact CB-CB 4.32Å |
| 198 | C | 82.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.8 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | C161 H183 F184 H186 K200 | C161-C198 WeakPolarHBondContact CA-SG 3.42Å; C161-C198 HydrophobicContact CB-CB 3.64Å; C161-C198 WeakPolarHBondContact CB-SG 3.24Å; C161-C198 WeakPolarHBondContact SG-CA 3.42Å; C161-C198 WeakPolarHBondContact SG-CB 3.03Å; C161-C198 CovalentContact SG-SG 2.04Å; C161-C198 PolarHBondContact SG-SG 3.18Å; H183-C198 CarbonylContact C-O 3.59Å; H183-C198 WeakPolarHBondContact CA-O 3.01Å; H183-C198 WeakPolarHBondContact CB-O 3.24Å; H183-C198 VanDerWaalsContact CD2-C 3.46Å; F184-C198 HydrophobicContact CD1-CB 4.12Å; F184-C198 VanDerWaalsContact CD1-O 3.31Å; F184-C198 WeakPolarHBondContact CD1-O 3.38Å; F184-C198 HydrophobicContact CE1-CB 3.57Å; F184-C198 HydrophobicContact CE2-CB 4.43Å; F184-C198 HydrophobicContact CZ-CB 3.75Å; F184-C198 PolarHBondContact N-O 2.73Å; F184-C198 PolarHBondContact O-N 3.17Å; H186-C198 HydrophobicContact CB-CB 4.2Å; H186-C198 VanDerWaalsContact CB-SG 3.51Å; C198-K200 PolarHBondContact O-N 3.2Å |
| 199 | E | 82.6 | Confident | 73.7 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.9 | 175.7 | -171.5 | 171.5 | -172.3 | 0 | 0 | 109.6 | H183 | H183-E199 PolarHBondContact CD2-N 3.3Å |
| 200 | K | 77.9 | Confident | 73.6 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | trans | -68.4 | 127.9 | 172.8 | -69.2 | -179.2 | -174.3 | 173.3 | 0 | 108.3 | Q180 T182 H183 F184 C198 C202 | Q180-K200 WeakPolarHBondContact O-CE 3.05Å; Q180-K200 PolarHBondContact O-NZ 2.68Å; T182-K200 WeakPolarHBondContact O-CB 3.39Å; T182-K200 PolarHBondContact O-N 3.4Å; H183-K200 WeakPolarHBondContact O-CE 3.33Å; F184-K200 HydrophobicContact CB-CG 4.4Å; F184-K200 HydrophobicContact CD1-CG 3.95Å; C198-K200 PolarHBondContact O-N 3.2Å; K200-C202 PolarHBondContact O-N 2.75Å | ||
| 201 | P | 74.9 | Confident | 73.4 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -64.3 | -24.1 | 178.9 | 25.4 | -34.4 | 0 | 0 | 0 | 112.9 | V163 L208 | V163-P201 HydrophobicContact CB-CB 4.33Å; V163-P201 HydrophobicContact CG2-CB 3.74Å; P201-L208 HydrophobicContact CB-CB 3.89Å; P201-L208 HydrophobicContact CB-CD1 4.4Å; P201-L208 HydrophobicContact CB-CD2 3.81Å; P201-L208 HydrophobicContact CB-CG 4.25Å; P201-L208 HydrophobicContact CG-CB 3.82Å; P201-L208 HydrophobicContact CG-CD2 4.36Å |
| 202 | C | 75.7 | Confident | 73.6 | Confident | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.054 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -134.2 | 153.5 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | K200 Q206 C213 | K200-C202 PolarHBondContact O-N 2.75Å; C202-Q206 HydrophobicContact CB-CB 3.74Å; C202-Q206 WeakPolarHBondContact CB-O 3.43Å; C202-C213 WeakPolarHBondContact CA-SG 2.95Å; C202-C213 HydrophobicContact CB-CB 3.71Å; C202-C213 WeakPolarHBondContact CB-SG 3.31Å; C202-C213 WeakPolarHBondContact SG-CA 3.17Å; C202-C213 WeakPolarHBondContact SG-CB 3.32Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 3.39Å |
| 203 | V | 74.3 | Confident | 73.8 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 72% | 0.721 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -87.4 | 140.7 | 178.9 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 204 | G | 67.7 | Low | 74.1 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -134.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q206 | G204-Q206 VanDerWaalsContact C-N 3.29Š|
| 205 | D | 66.8 | Low | 73.7 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 17.5 | -179.8 | 60.3 | -35.2 | 0 | 0 | 0 | 113.3 | R215 D216 | D205-R215 IonicContact OD2-CZ 3.64Å; D205-R215 IonicContact OD2-NE 3.47Å; D205-R215 PolarHBondContact OD2-NE 2.87Å; D205-R215 IonicContact OD2-NH2 2.89Å; D205-R215 PolarHBondContact OD2-NH2 3.22Å; D205-D216 PolarHBondContact O-N 2.98Å |
| 206 | Q | 71.5 | Confident | 72.7 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 33% | 0.327 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.3 | -178 | -64.8 | 179.9 | 4.1 | 0 | 0 | 111.6 | C202 G204 C213 V214 R215 | C202-Q206 HydrophobicContact CB-CB 3.74Å; C202-Q206 WeakPolarHBondContact CB-O 3.43Å; G204-Q206 VanDerWaalsContact C-N 3.29Å; Q206-C213 HydrophobicContact CB-CB 4.27Å; Q206-C213 VanDerWaalsContact OE1-CB 3.27Å; Q206-V214 CarbonylContact C-O 3.46Å; Q206-V214 WeakPolarHBondContact CA-O 3.45Å; Q206-V214 WeakPolarHBondContact CB-O 3.05Å; Q206-R215 HydrophobicContact CG-CG 4.25Å |
| 207 | I | 70.5 | Confident | 71.3 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.4 | 174.6 | 61 | 173.7 | 0 | 0 | 0 | 109.7 | E209 V214 D216 | I207-E209 PolarHBondContact O-N 3.11Å; I207-V214 HydrophobicContact CD1-CG2 4.36Å; I207-V214 HydrophobicContact CG1-CG2 3.72Å; I207-V214 PolarHBondContact N-O 3.3Å; I207-V214 PolarHBondContact O-N 2.84Å; I207-D216 HydrophobicContact CG2-CB 4.24Å |
| 208 | L | 66.9 | Low | 69.5 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.1 | 175.4 | -173.6 | 71.3 | 0 | 0 | 0 | 109.3 | V163 P201 | V163-L208 HydrophobicContact CG2-CD2 4.44Å; P201-L208 HydrophobicContact CB-CB 3.89Å; P201-L208 HydrophobicContact CB-CD1 4.4Å; P201-L208 HydrophobicContact CB-CD2 3.81Å; P201-L208 HydrophobicContact CB-CG 4.25Å; P201-L208 HydrophobicContact CG-CB 3.82Å; P201-L208 HydrophobicContact CG-CD2 4.36Å |
| 209 | E | 72.5 | Confident | 67.5 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.3 | 177.9 | -166.2 | 177.7 | -161.5 | 0 | 0 | 109.9 | I207 G211 N212 V214 | I207-E209 PolarHBondContact O-N 3.11Å; E209-G211 PolarHBondContact O-N 3.33Å; E209-G211 VanDerWaalsContact O-N 3.12Å; E209-N212 PolarHBondContact N-O 2.87Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 VanDerWaalsContact O-O 3.12Å; E209-V214 HydrophobicContact CB-CG2 3.58Å |
| 210 | G | 64.3 | Low | 65.3 | Low | 82 Ų | 82 | 94.8 Ų | 94.8 | 85% | 0.845 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 27.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 211 | G | 68.2 | Low | 63 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | -1.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E209 | E209-G211 PolarHBondContact O-N 3.33Å; E209-G211 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 71.8 | Confident | 61.3 | Low | 114 Ų | 114 | 103.7 Ų | 103.7 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.7 | 176.1 | -64.6 | -60.2 | 0 | 0 | 0 | 110.9 | E209 V214 | E209-N212 PolarHBondContact N-O 2.87Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 VanDerWaalsContact O-O 3.12Å; N212-V214 PolarHBondContact O-N 3.21Å |
| 213 | C | 71.8 | Confident | 59.3 | Low | 56 Ų | 56 | 109 Ų | 109 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 111.2 | 170.2 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | C202 Q206 | C202-C213 WeakPolarHBondContact CA-SG 2.95Å; C202-C213 HydrophobicContact CB-CB 3.71Å; C202-C213 WeakPolarHBondContact CB-SG 3.31Å; C202-C213 WeakPolarHBondContact SG-CA 3.17Å; C202-C213 WeakPolarHBondContact SG-CB 3.32Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 3.39Å; Q206-C213 HydrophobicContact CB-CB 4.27Å; Q206-C213 VanDerWaalsContact OE1-CB 3.27Å |
| 214 | V | 76.3 | Confident | 57 | Low | 46 Ų | 46 | 111.4 Ų | 111.4 | 28% | 0.279 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 148.2 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 108.9 | Q206 I207 E209 N212 D216 | Q206-V214 CarbonylContact C-O 3.46Å; Q206-V214 WeakPolarHBondContact CA-O 3.45Å; Q206-V214 WeakPolarHBondContact CB-O 3.05Å; I207-V214 HydrophobicContact CD1-CG2 4.36Å; I207-V214 HydrophobicContact CG1-CG2 3.72Å; I207-V214 PolarHBondContact N-O 3.3Å; I207-V214 PolarHBondContact O-N 2.84Å; E209-V214 HydrophobicContact CB-CG2 3.58Å; N212-V214 PolarHBondContact O-N 3.21Å; V214-D216 PolarHBondContact O-N 2.81Å |
| 215 | R | 68.3 | Low | 55.1 | Low | 164 Ų | 164 | 112.7 Ų | 112.7 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.1 | 137.6 | 171.1 | -61.1 | -169.3 | 75.5 | 166 | 2.9 | 108.6 | D205 Q206 R217 | D205-R215 IonicContact OD2-CZ 3.64Å; D205-R215 IonicContact OD2-NE 3.47Å; D205-R215 PolarHBondContact OD2-NE 2.87Å; D205-R215 IonicContact OD2-NH2 2.89Å; D205-R215 PolarHBondContact OD2-NH2 3.22Å; Q206-R215 HydrophobicContact CG-CG 4.25Å; R215-R217 PolarHBondContact O-N 3.43Å |
| 216 | D | 58.9 | Low | 53.5 | Low | 68 Ų | 68 | 114 Ų | 114 | 36% | 0.364 | 62% | 0.619 | S | S | . | * | trans | -53.9 | 116.1 | 173.1 | -166.9 | -5.9 | 0 | 0 | 0 | 108.9 | D205 I207 V214 Y218 | D205-D216 PolarHBondContact O-N 2.98Å; I207-D216 HydrophobicContact CG2-CB 4.24Å; V214-D216 PolarHBondContact O-N 2.81Å; D216-Y218 PolarHBondContact O-N 2.85Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.24Å; D216-Y218 WeakPolarHBondContact OD1-CD2 2.98Å; D216-Y218 PolarHBondContact OD1-N 2.96Å | ||
| 217 | R | 50.7 | Low | 51.4 | Low | 221 Ų | 221 | 118.7 Ų | 118.7 | 83% | 0.834 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -77.9 | -4.2 | 177.8 | -77.1 | -175.2 | -179.9 | 156.2 | 0.9 | 111.8 | R215 D219 | R215-R217 PolarHBondContact O-N 3.43Å; R217-D219 PolarHBondContact O-N 2.86Å |
| 218 | Y | 44.3 | Very low | 49.9 | Very low | 208 Ų | 208 | 121.9 Ų | 121.9 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -74.5 | 63 | 162.6 | -72.9 | -87.2 | 0 | 0 | 0 | 109.9 | D216 G220 | D216-Y218 PolarHBondContact O-N 2.85Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.24Å; D216-Y218 WeakPolarHBondContact OD1-CD2 2.98Å; D216-Y218 PolarHBondContact OD1-N 2.96Å; Y218-G220 PolarHBondContact O-N 3.43Å | ||
| 219 | D | 41.9 | Very low | 48.2 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | trans | -51.9 | 112.8 | 149.5 | -84.8 | -35.9 | 0 | 0 | 0 | 106 | R217 R221 | R217-D219 PolarHBondContact O-N 2.86Å; D219-R221 PolarHBondContact O-N 3.23Å | ||
| 220 | G | 37 | Very low | 45.9 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -61.6 | 75.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y218 S222 | Y218-G220 PolarHBondContact O-N 3.43Å; G220-S222 PolarHBondContact O-N 2.04Å | ||
| 221 | R | 29.8 | Very low | 44.1 | Very low | 233 Ų | 233 | 125 Ų | 125 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | -61.2 | 80.6 | 128.2 | -78.9 | -169.3 | -173.6 | -157.3 | 2.8 | 105.7 | D219 | D219-R221 PolarHBondContact O-N 3.23Š| |||
| 222 | S | 37.4 | Very low | 42.4 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 51% | 0.51 | 71% | 0.707 | S | S | . | * | trans | -37.7 | 124.4 | 155.9 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | G220 E224 | G220-S222 PolarHBondContact O-N 2.04Å; S222-E224 PolarHBondContact O-N 2.94Å | ||
| 223 | P | 33.7 | Very low | 40.2 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -51.7 | 117.6 | 173.8 | 20.9 | -29.7 | 0 | 0 | 0 | 105.4 | C225 | P223-C225 PolarHBondContact O-N 3.1Š|
| 224 | E | 27.7 | Very low | 38.2 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -40.9 | 99.9 | -163.5 | -66 | 157.3 | 143.2 | 0 | 0 | 110 | S222 P226 | S222-E224 PolarHBondContact O-N 2.94Å; E224-P226 WeakPolarHBondContact O-CD 3.35Å; E224-P226 VanDerWaalsContact O-N 3.07Å | ||
| 225 | C | 27.8 | Very low | 36.3 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | trans | -59.3 | 116.1 | 163.7 | -80.7 | 0 | 0 | 0 | 0 | 104.7 | P223 H227 | P223-C225 PolarHBondContact O-N 3.1Å; C225-H227 PolarHBondContact O-N 3.3Å | ||
| 226 | P | 31.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -54.6 | 136.9 | -178.9 | -23.2 | 33.3 | 0 | 0 | 0 | 108.4 | E224 | E224-P226 WeakPolarHBondContact O-CD 3.35Å; E224-P226 VanDerWaalsContact O-N 3.07Å | ||
| 227 | H | 27.5 | Very low | 33 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -42.3 | 152.6 | -173.3 | -72.9 | 30.2 | 0 | 0 | 0 | 113.6 | C225 G229 | C225-H227 PolarHBondContact O-N 3.3Å; H227-G229 VanDerWaalsContact C-N 3.35Å; H227-G229 PolarHBondContact O-N 2.68Å | ||
| 228 | P | 38.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 144 Ų | 144 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 90.1 | -167.8 | 26.3 | -34.9 | 0 | 0 | 0 | 111.7 | ||
| 229 | G | 30.7 | Very low | 31.3 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.8 | -11.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | H227 K231 | H227-G229 VanDerWaalsContact C-N 3.35Å; H227-G229 PolarHBondContact O-N 2.68Å; G229-K231 PolarHBondContact O-N 2.93Å |
| 230 | G | 25.5 | Very low | 30.7 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -84.5 | 101.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L232 | G230-L232 PolarHBondContact O-N 3.25Š| ||
| 231 | K | 26.8 | Very low | 30.6 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -65.1 | 119.1 | 160.5 | -71.4 | 177 | 178.4 | 174.8 | 0 | 109.2 | G229 | G229-K231 PolarHBondContact O-N 2.93Š| ||
| 232 | L | 31.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | 148.6 | 129.9 | 150.4 | -102.7 | 92.5 | 0 | 0 | 0 | 108 | G230 | G230-L232 PolarHBondContact O-N 3.25Š| ||
| 233 | G | 26.2 | Very low | 30.7 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | cis | -166.8 | 161.1 | 3.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R235 | G233-R235 PolarHBondContact O-N 2.86Å; G233-R235 VanDerWaalsContact O-N 3.1Å | ||
| 234 | K | 30.5 | Very low | 30.7 | Very low | 215 Ų | 215 | 146 Ų | 146 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -48.8 | 104.5 | -175.7 | -66.2 | 169.7 | 173.7 | 176.8 | 0 | 114.2 | ||||
| 235 | R | 35 | Very low | 30.8 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -144.4 | 95.3 | 138.6 | -80.2 | -165.9 | 179.8 | -164.7 | -0.6 | 108.4 | G233 G237 | G233-R235 PolarHBondContact O-N 2.86Å; G233-R235 VanDerWaalsContact O-N 3.1Å; R235-G237 PolarHBondContact O-N 3.37Å | ||
| 236 | S | 31.5 | Very low | 31.1 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -64.2 | 89.6 | -178.8 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | R238 | S236-R238 PolarHBondContact O-N 3.35Š| ||
| 237 | G | 28.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -81.6 | 96.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R235 C239 | R235-G237 PolarHBondContact O-N 3.37Å; G237-C239 PolarHBondContact O-N 2.02Å | ||
| 238 | R | 30 | Very low | 31.7 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -73.4 | 103 | 167 | -110.6 | -178.2 | -177.1 | 173.9 | 0.3 | 106.5 | S236 D240 | S236-R238 PolarHBondContact O-N 3.35Å; R238-D240 PolarHBondContact O-N 3.18Å; R238-D240 VanDerWaalsContact O-N 3.17Å | ||
| 239 | C | 28.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 141 Ų | 141 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -68.6 | 104.9 | 159.8 | -82.7 | 0 | 0 | 0 | 0 | 107 | G237 S241 | G237-C239 PolarHBondContact O-N 2.02Å; C239-S241 PolarHBondContact O-N 3.46Å | ||
| 240 | D | 29.3 | Very low | 33.2 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -78 | 107.9 | 173.3 | -156.8 | -34 | 0 | 0 | 0 | 108.8 | R238 Q242 | R238-D240 PolarHBondContact O-N 3.18Å; R238-D240 VanDerWaalsContact O-N 3.17Å; D240-Q242 PolarHBondContact O-N 2.04Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.32Å; D240-Q242 PolarHBondContact OD1-N 2.92Å | ||
| 241 | S | 35.7 | Very low | 34.7 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 15.7 | -178.4 | 53 | 0 | 0 | 0 | 0 | 113.5 | C239 | C239-S241 PolarHBondContact O-N 3.46Š|
| 242 | Q | 31.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -0.4 | -177.8 | -68 | -161.7 | -6.1 | 0 | 0 | 116.1 | D240 K244 | D240-Q242 PolarHBondContact O-N 2.04Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.32Å; D240-Q242 PolarHBondContact OD1-N 2.92Å; Q242-K244 PolarHBondContact O-N 2.9Å |
| 243 | L | 36.8 | Very low | 37.6 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 51.3 | 174.2 | -142.2 | 81.9 | 0 | 0 | 0 | 112.5 | ||
| 244 | K | 34.7 | Very low | 39.3 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 8.4 | 176 | -103.5 | -168.9 | -179.9 | -175.4 | 0 | 114.4 | Q242 A246 | Q242-K244 PolarHBondContact O-N 2.9Å; K244-A246 PolarHBondContact O-N 3.23Å |
| 245 | E | 29.6 | Very low | 40.8 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -96.6 | 99.4 | 172.3 | -71.9 | -172.3 | 168.1 | 0 | 0 | 110.6 | I247 | E245-I247 PolarHBondContact O-N 3.43Å; E245-I247 VanDerWaalsContact O-N 3.14Å | ||
| 246 | A | 33.1 | Very low | 41.7 | Very low | 98 Ų | 98 | 116.9 Ų | 116.9 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -51.7 | 108.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K244 S248 | K244-A246 PolarHBondContact O-N 3.23Å; A246-S248 PolarHBondContact O-N 3.29Å | ||
| 247 | I | 35 | Very low | 42.7 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | trans | -76.6 | 102.8 | 166.1 | -59.6 | 174.7 | 0 | 0 | 0 | 106.1 | E245 S249 | E245-I247 PolarHBondContact O-N 3.43Å; E245-I247 VanDerWaalsContact O-N 3.14Å; I247-S249 PolarHBondContact O-N 2.7Å; I247-S249 PolarHBondContact O-OG 3.29Å; I247-S249 VanDerWaalsContact O-OG 3.1Å | ||
| 248 | S | 36.5 | Very low | 43.9 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | trans | -60.1 | 100.2 | 170.5 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | A246 C250 | A246-S248 PolarHBondContact O-N 3.29Å; S248-C250 PolarHBondContact O-N 3.03Å | ||
| 249 | S | 52.5 | Low | 44.7 | Very low | 55 Ų | 55 | 110.4 Ų | 110.4 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | trans | -70.2 | -20.1 | -156.9 | -47.6 | 0 | 0 | 0 | 0 | 116.4 | I247 C261 | I247-S249 PolarHBondContact O-N 2.7Å; I247-S249 PolarHBondContact O-OG 3.29Å; I247-S249 VanDerWaalsContact O-OG 3.1Å; S249-C261 PolarHBondContact O-SG 3.5Å | ||
| 250 | C | 48.5 | Very low | 45.8 | Very low | 35 Ų | 35 | 111.6 Ų | 111.6 | 24% | 0.236 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -155.4 | 157.6 | 169.7 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | S248 M254 C261 | S248-C250 PolarHBondContact O-N 3.03Å; C250-M254 HydrophobicContact CB-CB 3.87Å; C250-C261 WeakPolarHBondContact CA-SG 3.21Å; C250-C261 HydrophobicContact CB-CB 3.94Å; C250-C261 WeakPolarHBondContact CB-SG 3.21Å; C250-C261 WeakPolarHBondContact SG-CA 3.38Å; C250-C261 WeakPolarHBondContact SG-CB 3.38Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 2.78Å |
| 251 | K | 58.3 | Low | 47.4 | Very low | 163 Ų | 163 | 108.3 Ų | 108.3 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | trans | -58.6 | 149.4 | 170.9 | -68.6 | -178.5 | -179.1 | 178.2 | 0 | 110.3 | G253 M254 | K251-G253 PolarHBondContact O-N 3.45Å; K251-M254 PolarHBondContact O-N 2.78Å | ||
| 252 | P | 59 | Low | 49 | Very low | 123 Ų | 123 | 105.4 Ų | 105.4 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 130 | 171.5 | -25 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 253 | G | 60.3 | Low | 51.1 | Low | 26 Ų | 26 | 103.8 Ų | 103.8 | 27% | 0.268 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90 | 5.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | K251 F279 | K251-G253 PolarHBondContact O-N 3.45Å; G253-F279 WeakPolarHBondContact O-CZ 3.27Å |
| 254 | M | 61.7 | Low | 52.8 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | trans | -117.8 | 144.2 | 172 | -70.4 | -175.6 | 165.6 | 0 | 0 | 111.5 | C250 K251 C261 | C250-M254 HydrophobicContact CB-CB 3.87Å; K251-M254 PolarHBondContact O-N 2.78Å; M254-C261 HydrophobicContact CB-CB 4.24Å; M254-C261 HydrophobicContact SD-CB 3.98Å | ||
| 255 | L | 60.6 | Low | 54.7 | Low | 12 Ų | 12 | 92.6 Ų | 92.6 | 6% | 0.063 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.6 | 172.1 | -73.9 | 176.1 | 0 | 0 | 0 | 110.2 | I257 C261 V262 P264 F279 I299 | L255-I257 HydrophobicContact CB-CD1 3.89Å; L255-I257 HydrophobicContact CB-CG1 3.93Å; L255-I257 HydrophobicContact CD1-CD1 4.12Å; L255-I257 PolarHBondContact O-N 3.34Å; L255-C261 WeakPolarHBondContact O-CA 3.43Å; L255-V262 HydrophobicContact CB-CG2 4.49Å; L255-V262 PolarHBondContact N-O 3.32Å; L255-V262 WeakPolarHBondContact O-CG2 3.03Å; L255-V262 PolarHBondContact O-N 3.36Å; L255-P264 HydrophobicContact CD1-CB 3.79Å; L255-P264 HydrophobicContact CD1-CG 3.67Å; L255-P264 HydrophobicContact CG-CG 3.98Å; L255-F279 HydrophobicContact CD1-CD2 4.25Å; L255-F279 HydrophobicContact CD1-CE2 4.45Å; L255-F279 HydrophobicContact CD2-CD2 3.42Å; L255-F279 VanDerWaalsContact CD2-CD2 3.42Å; L255-F279 HydrophobicContact CD2-CE2 3.88Å; L255-F279 HydrophobicContact CD2-CG 4.23Å; L255-F279 HydrophobicContact CG-CD2 3.62Å; L255-F279 HydrophobicContact CG-CE2 3.63Å; L255-F279 HydrophobicContact CG-CG 4.36Å; L255-F279 HydrophobicContact CG-CZ 4.36Å; L255-I299 HydrophobicContact CD1-CD1 4.45Å; L255-I299 HydrophobicContact CD1-CG2 3.83Å |
| 256 | F | 54 | Low | 56.9 | Low | 112 Ų | 112 | 84.8 Ų | 84.8 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.1 | 170.2 | -169.1 | -101.9 | 0 | 0 | 0 | 109.6 | G259 K260 | F256-G259 VanDerWaalsContact CE2-C 3.49Å; F256-K260 WeakPolarHBondContact CA-O 3.4Å |
| 257 | I | 53.9 | Low | 59 | Low | 40 Ų | 40 | 84.2 Ų | 84.2 | 21% | 0.205 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 130.9 | -177.1 | -54.5 | -176.2 | 0 | 0 | 0 | 108.5 | L255 G259 K260 V262 Y297 | L255-I257 HydrophobicContact CB-CD1 3.89Å; L255-I257 HydrophobicContact CB-CG1 3.93Å; L255-I257 HydrophobicContact CD1-CD1 4.12Å; L255-I257 PolarHBondContact O-N 3.34Å; I257-G259 PolarHBondContact O-N 2.95Å; I257-K260 PolarHBondContact N-O 2.86Å; I257-K260 PolarHBondContact O-N 3.16Å; I257-K260 VanDerWaalsContact O-O 3.09Å; I257-V262 HydrophobicContact CB-CG2 3.97Å; I257-V262 HydrophobicContact CD1-CG2 3.9Å; I257-V262 HydrophobicContact CG1-CG2 3.98Å; I257-Y297 HydrophobicContact CD1-CD1 3.33Å; I257-Y297 HydrophobicContact CD1-CE1 3.94Å; I257-Y297 HydrophobicContact CD1-CG 4.3Å |
| 258 | H | 52 | Low | 60.9 | Low | 190 Ų | 190 | 86 Ų | 86 | 88% | 0.88 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.8 | -179.8 | -56.8 | 173.9 | 0 | 0 | 0 | 114 | K260 | H258-K260 PolarHBondContact O-N 2.85Š|
| 259 | G | 47.4 | Very low | 63 | Low | 53 Ų | 53 | 82.7 Ų | 82.7 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 5.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | F256 I257 | F256-G259 VanDerWaalsContact CE2-C 3.49Å; I257-G259 PolarHBondContact O-N 2.95Å |
| 260 | K | 52.1 | Low | 64.5 | Low | 154 Ų | 154 | 84.2 Ų | 84.2 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.7 | -179.8 | -65.5 | -177.2 | -179.1 | 179.1 | 0 | 111.6 | F256 I257 H258 V262 | F256-K260 WeakPolarHBondContact CA-O 3.4Å; I257-K260 PolarHBondContact N-O 2.86Å; I257-K260 PolarHBondContact O-N 3.16Å; I257-K260 VanDerWaalsContact O-O 3.09Å; H258-K260 PolarHBondContact O-N 2.85Å; K260-V262 HydrophobicContact CB-CG1 4.4Å; K260-V262 PolarHBondContact O-N 2.82Å |
| 261 | C | 61.4 | Low | 66.2 | Low | 55 Ų | 55 | 83.7 Ų | 83.7 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116.4 | 165 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | S249 C250 M254 L255 | S249-C261 PolarHBondContact O-SG 3.5Å; C250-C261 WeakPolarHBondContact CA-SG 3.21Å; C250-C261 HydrophobicContact CB-CB 3.94Å; C250-C261 WeakPolarHBondContact CB-SG 3.21Å; C250-C261 WeakPolarHBondContact SG-CA 3.38Å; C250-C261 WeakPolarHBondContact SG-CB 3.38Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 2.78Å; M254-C261 HydrophobicContact CB-CB 4.24Å; M254-C261 HydrophobicContact SD-CB 3.98Å; L255-C261 WeakPolarHBondContact O-CA 3.43Å |
| 262 | V | 70.4 | Confident | 67.1 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 29% | 0.285 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.5 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | L255 I257 K260 P264 | L255-V262 HydrophobicContact CB-CG2 4.49Å; L255-V262 PolarHBondContact N-O 3.32Å; L255-V262 WeakPolarHBondContact O-CG2 3.03Å; L255-V262 PolarHBondContact O-N 3.36Å; I257-V262 HydrophobicContact CB-CG2 3.97Å; I257-V262 HydrophobicContact CD1-CG2 3.9Å; I257-V262 HydrophobicContact CG1-CG2 3.98Å; K260-V262 HydrophobicContact CB-CG1 4.4Å; K260-V262 PolarHBondContact O-N 2.82Å; V262-P264 WeakPolarHBondContact O-CD 3.32Å |
| 263 | E | 75.1 | Confident | 67.9 | Low | 134 Ų | 134 | 76.4 Ų | 76.4 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | trans | -80.2 | 113.4 | 167.2 | -175.2 | 174.4 | -173.5 | 0 | 0 | 107.7 | L265 | E263-L265 PolarHBondContact O-N 3.15Š| ||
| 264 | P | 72.1 | Confident | 68.1 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.019 | 42% | 0.417 | C | S | . | . | trans | -73.8 | 127.9 | -176.2 | 30.6 | -34.9 | 0 | 0 | 0 | 110.9 | L255 V262 P271 F279 Y297 I299 | L255-P264 HydrophobicContact CD1-CB 3.79Å; L255-P264 HydrophobicContact CD1-CG 3.67Å; L255-P264 HydrophobicContact CG-CG 3.98Å; V262-P264 WeakPolarHBondContact O-CD 3.32Å; P264-P271 VanDerWaalsContact O-CG 3.3Å; P264-P271 WeakPolarHBondContact O-CG 3.35Å; P264-F279 HydrophobicContact CG-CD1 4.06Å; P264-F279 HydrophobicContact CG-CE1 3.33Å; P264-F279 HydrophobicContact CG-CE2 4.01Å; P264-F279 HydrophobicContact CG-CZ 3.29Å; P264-Y297 HydrophobicContact CB-CD1 4.41Å; P264-Y297 HydrophobicContact CB-CD2 3.69Å; P264-Y297 HydrophobicContact CB-CE2 4.02Å; P264-Y297 HydrophobicContact CB-CG 3.9Å; P264-I299 HydrophobicContact CB-CD1 3.56Å; P264-I299 HydrophobicContact CG-CD1 3.8Å | ||
| 265 | L | 74.5 | Confident | 68.2 | Low | 128 Ų | 128 | 85.4 Ų | 85.4 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | trans | -105.5 | 127.8 | 174.4 | -65.1 | 170.8 | 0 | 0 | 0 | 109.7 | E263 Y297 | E263-L265 PolarHBondContact O-N 3.15Å; L265-Y297 WeakPolarHBondContact O-CE2 3.42Å | ||
| 266 | C | 77.1 | Confident | 68.1 | Low | 18 Ų | 18 | 87.2 Ų | 87.2 | 12% | 0.122 | 47% | 0.467 | C | S | . | . | trans | -74.3 | 143.2 | 173.7 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | R268 T270 P271 F292 C301 | C266-R268 VanDerWaalsContact CB-O 3.25Å; C266-R268 WeakPolarHBondContact CB-O 3.37Å; C266-R268 PolarHBondContact O-N 3.26Å; C266-T270 VanDerWaalsContact SG-C 3.52Å; C266-P271 VanDerWaalsContact SG-CA 3.6Å; C266-F292 HydrophobicContact CB-CZ 4.37Å; C266-C301 HydrophobicContact CB-CB 3.53Å; C266-C301 WeakPolarHBondContact CB-SG 3.4Å; C266-C301 WeakPolarHBondContact SG-CB 3.39Å; C266-C301 CovalentContact SG-SG 2.01Å; C266-C301 PolarHBondContact SG-SG 2.79Å | ||
| 267 | S | 76.1 | Confident | 68.4 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 60% | 0.601 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -59 | -27.4 | 172.8 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | F292 E294 | S267-F292 VanDerWaalsContact OG-CE2 3.32Å; S267-F292 WeakPolarHBondContact OG-CE2 3.38Å; S267-E294 WeakPolarHBondContact CB-OE2 3.07Å; S267-E294 PolarHBondContact N-OE2 3Å; S267-E294 PolarHBondContact OG-OE2 2.86Å |
| 268 | R | 75.4 | Confident | 68.8 | Low | 188 Ų | 188 | 92.4 Ų | 92.4 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -141.8 | 137.5 | 169.4 | -62.2 | -176.5 | -180 | 167.2 | -0 | 109.5 | C266 F292 | C266-R268 VanDerWaalsContact CB-O 3.25Å; C266-R268 WeakPolarHBondContact CB-O 3.37Å; C266-R268 PolarHBondContact O-N 3.26Å; R268-F292 HydrophobicContact CB-CE1 4.01Å; R268-F292 HydrophobicContact CB-CZ 4.07Å; R268-F292 WeakPolarHBondContact O-CE1 3.47Å; R268-F292 VanDerWaalsContact O-CZ 3.28Å; R268-F292 WeakPolarHBondContact O-CZ 3.28Å |
| 269 | G | 81 | Confident | 69.7 | Low | 40 Ų | 40 | 84.3 Ų | 84.3 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 66.9 | -149.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S302 | G269-S302 VanDerWaalsContact CA-O 3.31Å; G269-S302 WeakPolarHBondContact CA-O 3.37Å |
| 270 | T | 84.3 | Confident | 71.1 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | trans | -122.2 | 149.3 | -172 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | C266 S302 | C266-T270 VanDerWaalsContact SG-C 3.52Å; T270-S302 PolarHBondContact N-OG 3.28Å; T270-S302 PolarHBondContact O-N 2.94Å; T270-S302 PolarHBondContact O-OG 3.18Å; T270-S302 PolarHBondContact OG1-OG 3.16Å | ||
| 271 | P | 83.2 | Confident | 72.3 | Confident | 23 Ų | 23 | 84.2 Ų | 84.2 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 141.9 | 174.9 | -20.5 | 30.9 | 0 | 0 | 0 | 111.8 | P264 C266 F273 F279 I299 | P264-P271 VanDerWaalsContact O-CG 3.3Å; P264-P271 WeakPolarHBondContact O-CG 3.35Å; C266-P271 VanDerWaalsContact SG-CA 3.6Å; P271-F273 HydrophobicContact CB-CE2 4.25Å; P271-F273 HydrophobicContact CB-CZ 4.28Å; P271-F273 WeakPolarHBondContact O-CD2 3.42Å; P271-F273 WeakPolarHBondContact O-CE2 3.36Å; P271-F279 HydrophobicContact CB-CD1 3.83Å; P271-F279 HydrophobicContact CB-CE1 3.76Å; P271-F279 HydrophobicContact CG-CE1 4.28Å; P271-I299 HydrophobicContact CB-CD1 4.08Å; P271-I299 HydrophobicContact CG-CD1 4.35Å |
| 272 | L | 77.8 | Confident | 72.8 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 17% | 0.173 | 43% | 0.427 | C | S | . | . | trans | -88.1 | 139.7 | 174.1 | -66.1 | 172.5 | 0 | 0 | 0 | 111 | F279 V280 T291 C300 | L272-F279 WeakPolarHBondContact O-CA 3.42Å; L272-V280 HydrophobicContact CB-CB 4.12Å; L272-V280 HydrophobicContact CB-CG2 3.87Å; L272-V280 PolarHBondContact O-N 2.52Å; L272-T291 HydrophobicContact CD1-CG2 3.55Å; L272-C300 HydrophobicContact CD1-CB 3.98Å; L272-C300 PolarHBondContact N-O 2.93Å | ||
| 273 | F | 76.5 | Confident | 73 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 139.9 | 177.8 | -59.1 | -89.2 | 0 | 0 | 0 | 110.1 | P271 N278 F279 | P271-F273 HydrophobicContact CB-CE2 4.25Å; P271-F273 HydrophobicContact CB-CZ 4.28Å; P271-F273 WeakPolarHBondContact O-CD2 3.42Å; P271-F273 WeakPolarHBondContact O-CE2 3.36Å; F273-N278 CarbonylContact C-O 3.57Å; F273-N278 WeakPolarHBondContact CA-O 3.43Å; F273-F279 HydrophobicContact CD1-CD1 4.08Å; F273-F279 HydrophobicContact CD1-CE1 4.14Å; F273-F279 AromaticContact CE1-CD1 3.6Å; F273-F279 HydrophobicContact CE1-CD1 3.6Å; F273-F279 AromaticContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE2 4.26Å; F273-F279 HydrophobicContact CE1-CG 4.28Å; F273-F279 AromaticContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CZ-CD1 4.07Å; F273-F279 AromaticContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CE1 3.44Å; F273-F279 VanDerWaalsContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CZ 4.04Å |
| 274 | T | 64.2 | Low | 72.9 | Confident | 67 Ų | 67 | 85.1 Ų | 85.1 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | trans | -68.9 | 165.3 | 163.9 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | G276 F277 N278 V280 | T274-G276 PolarHBondContact O-N 2.85Å; T274-F277 PolarHBondContact O-N 3.35Å; T274-N278 PolarHBondContact N-O 3.34Å; T274-N278 WeakPolarHBondContact OG1-CB 3.26Å; T274-N278 PolarHBondContact OG1-N 3.11Å; T274-N278 PolarHBondContact OG1-O 2.87Å; T274-V280 HydrophobicContact CG2-CG2 3.96Å | ||
| 275 | K | 63.1 | Low | 73.1 | Confident | 222 Ų | 222 | 91.9 Ų | 91.9 | 97% | 0.965 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -19 | 175.4 | -66.9 | -175.8 | 179.2 | 179.8 | 0 | 114 | ||
| 276 | G | 59.6 | Low | 73.5 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 18.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T274 N278 | T274-G276 PolarHBondContact O-N 2.85Å; G276-N278 PolarHBondContact O-N 3.39Å; G276-N278 VanDerWaalsContact O-N 3.14Å; G276-N278 PolarHBondContact O-ND2 2.65Å |
| 277 | F | 59.5 | Low | 73.4 | Confident | 154 Ų | 154 | 93.4 Ų | 93.4 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 60.9 | 16.3 | -176.9 | -63.7 | -85.6 | 0 | 0 | 0 | 115.3 | T274 | T274-F277 PolarHBondContact O-N 3.35Š|
| 278 | N | 61.6 | Low | 73.4 | Confident | 107 Ų | 107 | 94.9 Ų | 94.9 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | trans | -90.5 | 140.3 | 172.5 | -61.3 | -59.7 | 0 | 0 | 0 | 110.4 | F273 T274 G276 | F273-N278 CarbonylContact C-O 3.57Å; F273-N278 WeakPolarHBondContact CA-O 3.43Å; T274-N278 PolarHBondContact N-O 3.34Å; T274-N278 WeakPolarHBondContact OG1-CB 3.26Å; T274-N278 PolarHBondContact OG1-N 3.11Å; T274-N278 PolarHBondContact OG1-O 2.87Å; G276-N278 PolarHBondContact O-N 3.39Å; G276-N278 VanDerWaalsContact O-N 3.14Å; G276-N278 PolarHBondContact O-ND2 2.65Å | ||
| 279 | F | 71.8 | Confident | 73.5 | Confident | 21 Ų | 21 | 92.1 Ų | 92.1 | 9% | 0.092 | 50% | 0.504 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 136.7 | 174.3 | -64 | -80.1 | 0 | 0 | 0 | 111.8 | G253 L255 P264 P271 L272 F273 R281 I299 | G253-F279 WeakPolarHBondContact O-CZ 3.27Å; L255-F279 HydrophobicContact CD1-CD2 4.25Å; L255-F279 HydrophobicContact CD1-CE2 4.45Å; L255-F279 HydrophobicContact CD2-CD2 3.42Å; L255-F279 VanDerWaalsContact CD2-CD2 3.42Å; L255-F279 HydrophobicContact CD2-CE2 3.88Å; L255-F279 HydrophobicContact CD2-CG 4.23Å; L255-F279 HydrophobicContact CG-CD2 3.62Å; L255-F279 HydrophobicContact CG-CE2 3.63Å; L255-F279 HydrophobicContact CG-CG 4.36Å; L255-F279 HydrophobicContact CG-CZ 4.36Å; P264-F279 HydrophobicContact CG-CD1 4.06Å; P264-F279 HydrophobicContact CG-CE1 3.33Å; P264-F279 HydrophobicContact CG-CE2 4.01Å; P264-F279 HydrophobicContact CG-CZ 3.29Å; P271-F279 HydrophobicContact CB-CD1 3.83Å; P271-F279 HydrophobicContact CB-CE1 3.76Å; P271-F279 HydrophobicContact CG-CE1 4.28Å; L272-F279 WeakPolarHBondContact O-CA 3.42Å; F273-F279 HydrophobicContact CD1-CD1 4.08Å; F273-F279 HydrophobicContact CD1-CE1 4.14Å; F273-F279 AromaticContact CE1-CD1 3.6Å; F273-F279 HydrophobicContact CE1-CD1 3.6Å; F273-F279 AromaticContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE2 4.26Å; F273-F279 HydrophobicContact CE1-CG 4.28Å; F273-F279 AromaticContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CZ-CD1 4.07Å; F273-F279 AromaticContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CE1 3.44Å; F273-F279 VanDerWaalsContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CZ 4.04Å; F279-R281 PolarHBondContact O-N 2.79Å; F279-I299 HydrophobicContact CB-CB 4.49Å; F279-I299 HydrophobicContact CB-CG2 3.81Å; F279-I299 HydrophobicContact CD1-CD1 4.26Å; F279-I299 HydrophobicContact CG-CG2 4.32Å |
| 280 | V | 76.6 | Confident | 73.4 | Confident | 42 Ų | 42 | 92.5 Ų | 92.5 | 26% | 0.255 | 51% | 0.508 | S | S | . | . | trans | -71.1 | 115.7 | 171.4 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | L272 T274 I299 C300 | L272-V280 HydrophobicContact CB-CB 4.12Å; L272-V280 HydrophobicContact CB-CG2 3.87Å; L272-V280 PolarHBondContact O-N 2.52Å; T274-V280 HydrophobicContact CG2-CG2 3.96Å; V280-I299 CarbonylContact O-C 3.51Å; V280-I299 VanDerWaalsContact O-CA 3.28Å; V280-I299 WeakPolarHBondContact O-CA 3.47Å; V280-C300 HydrophobicContact CB-CB 4.12Å; V280-C300 HydrophobicContact CG1-CB 3.96Å; V280-C300 PolarHBondContact O-N 2.86Å | ||
| 281 | R | 76.6 | Confident | 73.6 | Confident | 163 Ų | 163 | 89.7 Ų | 89.7 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | B | Isolated β-bridge | trans | -84.6 | 150.1 | -178 | -66.4 | -70.5 | -168.9 | 151.6 | 8.9 | 111.9 | F279 Y297 G298 | F279-R281 PolarHBondContact O-N 2.79Å; R281-Y297 PolarHBondContact NH1-O 2.92Å; R281-G298 VanDerWaalsContact CA-O 3.3Å; R281-G298 WeakPolarHBondContact CA-O 3.32Å; R281-G298 WeakPolarHBondContact CD-O 3.48Å |
| 282 | C | 73.2 | Confident | 73.7 | Confident | 18 Ų | 18 | 91 Ų | 91 | 12% | 0.122 | 49% | 0.494 | C | S | . | . | trans | -140.4 | 148.4 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | N285 C293 G298 I299 C300 | C282-N285 WeakPolarHBondContact CB-O 2.96Å; C282-C293 HydrophobicContact CB-CB 3.73Å; C282-C293 WeakPolarHBondContact CB-SG 3.04Å; C282-C293 WeakPolarHBondContact SG-CA 3.47Å; C282-C293 WeakPolarHBondContact SG-CB 3.21Å; C282-C293 CovalentContact SG-SG 2.02Å; C282-C293 PolarHBondContact SG-SG 2.02Å; C282-G298 PolarHBondContact N-O 2.95Å; C282-G298 VanDerWaalsContact SG-C 3.58Å; C282-I299 PolarHBondContact SG-O 2.73Å; C282-C300 VanDerWaalsContact CB-SG 3.56Å | ||
| 283 | H | 73.5 | Confident | 73.9 | Confident | 197 Ų | 197 | 90.2 Ų | 90.2 | 91% | 0.912 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -123.8 | 55.3 | 175.7 | -163.4 | -81.7 | 0 | 0 | 0 | 109.9 | ||
| 284 | G | 72.9 | Confident | 74.1 | Confident | 39 Ų | 39 | 86.3 Ų | 86.3 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 121.3 | -50.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C293 | G284-C293 WeakPolarHBondContact O-CB 2.98Š|
| 285 | N | 76.6 | Confident | 74.7 | Confident | 146 Ų | 146 | 91.7 Ų | 91.7 | 78% | 0.781 | 49% | 0.492 | S | S | * | . | trans | -129.7 | 158.3 | -177.6 | -67.7 | -5.5 | 0 | 0 | 0 | 111.6 | C282 | C282-N285 WeakPolarHBondContact CB-O 2.96Š| ||
| 286 | C | 82 | Confident | 75 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 18% | 0.182 | 48% | 0.478 | C | S | . | . | trans | -115 | 148.5 | 176 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | T291 C300 | C286-T291 WeakPolarHBondContact CB-OG1 3.45Å; C286-C300 HydrophobicContact CB-CB 3.95Å; C286-C300 WeakPolarHBondContact CB-SG 3.4Å; C286-C300 WeakPolarHBondContact SG-CA 3.37Å; C286-C300 WeakPolarHBondContact SG-CB 3.37Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 3.22Å | ||
| 287 | T | 76.3 | Confident | 75.7 | Confident | 150 Ų | 150 | 87.9 Ų | 87.9 | 92% | 0.92 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -78.6 | -23.5 | -172.8 | -34.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 288 | E | 76.7 | Confident | 76.5 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -88.7 | 134.7 | -176.6 | -73.3 | -175.7 | -175.4 | 0 | 0 | 112.1 | G290 T291 | E288-G290 PolarHBondContact O-N 3.14Å; E288-T291 HydrophobicContact CB-CG2 3.58Å; E288-T291 WeakPolarHBondContact O-CB 3.02Å; E288-T291 PolarHBondContact O-N 3.39Å; E288-T291 PolarHBondContact O-OG1 2.83Å |
| 289 | S | 76.8 | Confident | 77.4 | Confident | 130 Ų | 130 | 76.3 Ų | 76.3 | 91% | 0.909 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 132.5 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 290 | G | 79.3 | Confident | 77.8 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 25 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E288 T303 | E288-G290 PolarHBondContact O-N 3.14Å; G290-T303 PolarHBondContact O-N 3.37Å; G290-T303 PolarHBondContact O-OG1 2.54Å |
| 291 | T | 87.4 | Confident | 78.2 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152 | 175 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | L272 C286 E288 C301 | L272-T291 HydrophobicContact CD1-CG2 3.55Å; C286-T291 WeakPolarHBondContact CB-OG1 3.45Å; E288-T291 HydrophobicContact CB-CG2 3.58Å; E288-T291 WeakPolarHBondContact O-CB 3.02Å; E288-T291 PolarHBondContact O-N 3.39Å; E288-T291 PolarHBondContact O-OG1 2.83Å; T291-C301 CarbonylContact C-O 3.53Å; T291-C301 WeakPolarHBondContact CA-O 3.49Å; T291-C301 WeakPolarHBondContact CB-O 3.24Å |
| 292 | F | 85 | Confident | 78.6 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.6 | 176.4 | 72.3 | -79.2 | 0 | 0 | 0 | 110.3 | C266 S267 R268 E294 C301 T303 | C266-F292 HydrophobicContact CB-CZ 4.37Å; S267-F292 VanDerWaalsContact OG-CE2 3.32Å; S267-F292 WeakPolarHBondContact OG-CE2 3.38Å; R268-F292 HydrophobicContact CB-CE1 4.01Å; R268-F292 HydrophobicContact CB-CZ 4.07Å; R268-F292 WeakPolarHBondContact O-CE1 3.47Å; R268-F292 VanDerWaalsContact O-CZ 3.28Å; R268-F292 WeakPolarHBondContact O-CZ 3.28Å; F292-E294 HydrophobicContact CE2-CB 4.46Å; F292-C301 HydrophobicContact CD1-CB 3.99Å; F292-C301 HydrophobicContact CE1-CB 3.49Å; F292-C301 VanDerWaalsContact CE1-CB 3.49Å; F292-C301 HydrophobicContact CE2-CB 4.08Å; F292-C301 HydrophobicContact CZ-CB 3.53Å; F292-C301 PolarHBondContact N-O 3.08Å; F292-C301 PolarHBondContact O-N 2.94Å; F292-T303 HydrophobicContact CD1-CG2 3.43Å; F292-T303 VanDerWaalsContact CD1-CG2 3.43Å; F292-T303 HydrophobicContact CE1-CG2 3.9Å; F292-T303 HydrophobicContact CG-CG2 4.44Å |
| 293 | C | 82.5 | Confident | 78.6 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | C282 G284 K295 | C282-C293 HydrophobicContact CB-CB 3.73Å; C282-C293 WeakPolarHBondContact CB-SG 3.04Å; C282-C293 WeakPolarHBondContact SG-CA 3.47Å; C282-C293 WeakPolarHBondContact SG-CB 3.21Å; C282-C293 CovalentContact SG-SG 2.02Å; C282-C293 PolarHBondContact SG-SG 2.02Å; G284-C293 WeakPolarHBondContact O-CB 2.98Å; C293-K295 PolarHBondContact O-N 3.28Å |
| 294 | E | 80.5 | Confident | 77.9 | Confident | 18 Ų | 18 | 72 Ų | 72 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 102.7 | 171.6 | -176.8 | 54.8 | -94.8 | 0 | 0 | 109.1 | S267 F292 I296 Y297 G298 I299 | S267-E294 WeakPolarHBondContact CB-OE2 3.07Å; S267-E294 PolarHBondContact N-OE2 3Å; S267-E294 PolarHBondContact OG-OE2 2.86Å; F292-E294 HydrophobicContact CE2-CB 4.46Å; E294-I296 HydrophobicContact CG-CB 4.45Å; E294-I296 PolarHBondContact O-N 3.46Å; E294-Y297 HydrophobicContact CG-CD2 3.94Å; E294-Y297 PolarHBondContact O-N 3.37Å; E294-G298 WeakPolarHBondContact O-CA 3.08Å; E294-G298 PolarHBondContact O-N 2.97Å; E294-I299 HydrophobicContact CB-CG1 4.27Å; E294-I299 PolarHBondContact N-O 2.05Å; E294-I299 PolarHBondContact O-N 3.03Å |
| 295 | K | 77.6 | Confident | 78.1 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 79% | 0.787 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.4 | -172.6 | -66.8 | -177.3 | 180 | 179.6 | 0 | 112.9 | C293 Y297 | C293-K295 PolarHBondContact O-N 3.28Å; K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 2.7Å |
| 296 | I | 70.1 | Confident | 78.2 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 66% | 0.662 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -36.8 | -179.4 | -60.1 | 175.2 | 0 | 0 | 0 | 110.9 | E294 | E294-I296 HydrophobicContact CG-CB 4.45Å; E294-I296 PolarHBondContact O-N 3.46Å |
| 297 | Y | 73.6 | Confident | 78 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -12.5 | -175.4 | -57.4 | -52 | 0 | 0 | 0 | 113.8 | I257 P264 L265 R281 E294 K295 I299 | I257-Y297 HydrophobicContact CD1-CD1 3.33Å; I257-Y297 HydrophobicContact CD1-CE1 3.94Å; I257-Y297 HydrophobicContact CD1-CG 4.3Å; P264-Y297 HydrophobicContact CB-CD1 4.41Å; P264-Y297 HydrophobicContact CB-CD2 3.69Å; P264-Y297 HydrophobicContact CB-CE2 4.02Å; P264-Y297 HydrophobicContact CB-CG 3.9Å; L265-Y297 WeakPolarHBondContact O-CE2 3.42Å; R281-Y297 PolarHBondContact NH1-O 2.92Å; E294-Y297 HydrophobicContact CG-CD2 3.94Å; E294-Y297 PolarHBondContact O-N 3.37Å; K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 2.7Å; Y297-I299 HydrophobicContact CD2-CD1 4.42Å |
| 298 | G | 75 | Confident | 78.1 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 37.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R281 C282 E294 | R281-G298 VanDerWaalsContact CA-O 3.3Å; R281-G298 WeakPolarHBondContact CA-O 3.32Å; R281-G298 WeakPolarHBondContact CD-O 3.48Å; C282-G298 PolarHBondContact N-O 2.95Å; C282-G298 VanDerWaalsContact SG-C 3.58Å; E294-G298 WeakPolarHBondContact O-CA 3.08Å; E294-G298 PolarHBondContact O-N 2.97Å |
| 299 | I | 80.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.8 | -179.6 | 68.1 | -175.8 | 0 | 0 | 0 | 112.1 | L255 P264 P271 F279 V280 C282 E294 Y297 | L255-I299 HydrophobicContact CD1-CD1 4.45Å; L255-I299 HydrophobicContact CD1-CG2 3.83Å; P264-I299 HydrophobicContact CB-CD1 3.56Å; P264-I299 HydrophobicContact CG-CD1 3.8Å; P271-I299 HydrophobicContact CB-CD1 4.08Å; P271-I299 HydrophobicContact CG-CD1 4.35Å; F279-I299 HydrophobicContact CB-CB 4.49Å; F279-I299 HydrophobicContact CB-CG2 3.81Å; F279-I299 HydrophobicContact CD1-CD1 4.26Å; F279-I299 HydrophobicContact CG-CG2 4.32Å; V280-I299 CarbonylContact O-C 3.51Å; V280-I299 VanDerWaalsContact O-CA 3.28Å; V280-I299 WeakPolarHBondContact O-CA 3.47Å; C282-I299 PolarHBondContact SG-O 2.73Å; E294-I299 HydrophobicContact CB-CG1 4.27Å; E294-I299 PolarHBondContact N-O 2.05Å; E294-I299 PolarHBondContact O-N 3.03Å; Y297-I299 HydrophobicContact CD2-CD1 4.42Å |
| 300 | C | 80.4 | Confident | 78.3 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.4 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | L272 V280 C282 C286 | L272-C300 HydrophobicContact CD1-CB 3.98Å; L272-C300 PolarHBondContact N-O 2.93Å; V280-C300 HydrophobicContact CB-CB 4.12Å; V280-C300 HydrophobicContact CG1-CB 3.96Å; V280-C300 PolarHBondContact O-N 2.86Å; C282-C300 VanDerWaalsContact CB-SG 3.56Å; C286-C300 HydrophobicContact CB-CB 3.95Å; C286-C300 WeakPolarHBondContact CB-SG 3.4Å; C286-C300 WeakPolarHBondContact SG-CA 3.37Å; C286-C300 WeakPolarHBondContact SG-CB 3.37Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 3.22Å |
| 301 | C | 84.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.2 | -179.7 | -67.2 | 0 | 0 | 0 | 0 | 109.6 | C266 T291 F292 | C266-C301 HydrophobicContact CB-CB 3.53Å; C266-C301 WeakPolarHBondContact CB-SG 3.4Å; C266-C301 WeakPolarHBondContact SG-CB 3.39Å; C266-C301 CovalentContact SG-SG 2.01Å; C266-C301 PolarHBondContact SG-SG 2.79Å; T291-C301 CarbonylContact C-O 3.53Å; T291-C301 WeakPolarHBondContact CA-O 3.49Å; T291-C301 WeakPolarHBondContact CB-O 3.24Å; F292-C301 HydrophobicContact CD1-CB 3.99Å; F292-C301 HydrophobicContact CE1-CB 3.49Å; F292-C301 VanDerWaalsContact CE1-CB 3.49Å; F292-C301 HydrophobicContact CE2-CB 4.08Å; F292-C301 HydrophobicContact CZ-CB 3.53Å; F292-C301 PolarHBondContact N-O 3.08Å; F292-C301 PolarHBondContact O-N 2.94Å |
| 302 | S | 84.8 | Confident | 77.5 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138.5 | 173.3 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | G269 T270 K304 | G269-S302 VanDerWaalsContact CA-O 3.31Å; G269-S302 WeakPolarHBondContact CA-O 3.37Å; T270-S302 PolarHBondContact N-OG 3.28Å; T270-S302 PolarHBondContact O-N 2.94Å; T270-S302 PolarHBondContact O-OG 3.18Å; T270-S302 PolarHBondContact OG1-OG 3.16Å; S302-K304 PolarHBondContact O-N 2.69Å |
| 303 | T | 74.6 | Confident | 76.9 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | trans | -90.2 | 82.7 | 163 | 59.6 | 0 | 0 | 0 | 0 | 108.1 | G290 F292 | G290-T303 PolarHBondContact O-N 3.37Å; G290-T303 PolarHBondContact O-OG1 2.54Å; F292-T303 HydrophobicContact CD1-CG2 3.43Å; F292-T303 VanDerWaalsContact CD1-CG2 3.43Å; F292-T303 HydrophobicContact CE1-CG2 3.9Å; F292-T303 HydrophobicContact CG-CG2 4.44Å | ||
| 304 | K | 57.7 | Low | 76.4 | Confident | 253 Ų | 253 | 69 Ų | 69 | 100% | 1.1 | 34% | 0.335 | S | S | * | . | trans | -89.5 | 0 | 159.8 | -96.5 | -171.3 | 176.5 | 179.6 | 0 | 110 | S302 | S302-K304 PolarHBondContact O-N 2.69Š|
Retrieved 304 of 304 residues in 127.5 ms
(Link to these results)