| 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 | D | 87.8 | Confident | 93.1 | Very high | 166 Ų | 166 | 101.9 Ų | 101.9 | 89% | 0.888 | 50% | 0.502 | S | S | * | . | 0 | -73.5 | 0 | -58.2 | 12.5 | 0 | 0 | 0 | 113.6 | D4 K5 | D1-D4 PolarHBondContact N-OD2 3.23Å; D1-K5 VanDerWaalsContact O-CB 3.24Å; D1-K5 WeakPolarHBondContact O-CB 3.45Å; D1-K5 PolarHBondContact O-N 3.24Å | |||
| 2 | Y | 92.9 | Very high | 93 | Very high | 70 Ų | 70 | 101.2 Ų | 101.2 | 28% | 0.275 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -50.2 | -175.5 | 176.6 | -106 | 0 | 0 | 0 | 113.6 | D4 K5 Y6 I8 Y52 D53 H54 | Y2-D4 VanDerWaalsContact C-N 3.3Å; Y2-D4 PolarHBondContact O-N 3.33Å; Y2-K5 PolarHBondContact O-N 3.15Å; Y2-Y6 AromaticContact CD2-CD2 3.6Å; Y2-Y6 HydrophobicContact CD2-CD2 3.6Å; Y2-Y6 AromaticContact CD2-CE2 3.56Å; Y2-Y6 HydrophobicContact CD2-CE2 3.56Å; Y2-Y6 AromaticContact CE2-CD2 3.35Å; Y2-Y6 HydrophobicContact CE2-CD2 3.35Å; Y2-Y6 AromaticContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CG 4.46Å; Y2-Y6 HydrophobicContact CG-CD2 4.42Å; Y2-Y6 AromaticContact CZ-CD2 4Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.31Å; Y2-Y6 PolarHBondContact O-N 3.43Å; Y2-I8 HydrophobicContact CD1-CD1 4.15Å; Y2-I8 HydrophobicContact CE1-CD1 3.53Å; Y2-Y52 WeakPolarHBondContact CD2-O 3.34Å; Y2-Y52 WeakPolarHBondContact CE2-O 3.28Å; Y2-D53 HydrophobicContact CD2-CB 4.02Å; Y2-D53 HydrophobicContact CE2-CB 4.38Å; Y2-H54 AromaticContact CE2-ND1 3.91Å; Y2-H54 PolarHBondContact OH-ND1 3.22Å |
| 3 | I | 93.1 | Very high | 93.1 | Very high | 63 Ų | 63 | 107.5 Ų | 107.5 | 32% | 0.323 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 179.6 | -66.2 | -179.7 | 0 | 0 | 0 | 110.2 | Y6 N7 I8 L10 | I3-Y6 PolarHBondContact O-N 2.85Å; I3-N7 WeakPolarHBondContact O-CA 3.48Å; I3-N7 PolarHBondContact O-N 3.45Å; I3-I8 HydrophobicContact CG2-CB 4.15Å; I3-I8 WeakPolarHBondContact CG2-O 3.48Å; I3-I8 PolarHBondContact O-N 3.15Å; I3-L10 HydrophobicContact CD1-CD1 4.1Å; I3-L10 HydrophobicContact CD1-CD2 4.03Å; I3-L10 HydrophobicContact CD1-CG 4.45Å |
| 4 | D | 93.4 | Very high | 92.9 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 178.6 | -45.6 | -52.1 | 0 | 0 | 0 | 111.9 | D1 Y2 Y6 N7 | D1-D4 PolarHBondContact N-OD2 3.23Å; Y2-D4 VanDerWaalsContact C-N 3.3Å; Y2-D4 PolarHBondContact O-N 3.33Å; D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.25Å; D4-N7 PolarHBondContact O-N 3.37Å |
| 5 | K | 95 | Very high | 92.4 | Very high | 120 Ų | 120 | 105.5 Ų | 105.5 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.3 | -37.6 | -179.1 | 176.1 | 176.1 | 173.3 | -178.5 | 0 | 112.7 | D1 Y2 D53 | D1-K5 VanDerWaalsContact O-CB 3.24Å; D1-K5 WeakPolarHBondContact O-CB 3.45Å; D1-K5 PolarHBondContact O-N 3.24Å; Y2-K5 PolarHBondContact O-N 3.15Å; K5-D53 IonicContact NZ-OD2 2.99Å; K5-D53 PolarHBondContact NZ-OD2 3.22Å |
| 6 | Y | 95.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 108.4 Ų | 108.4 | 26% | 0.255 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 8.1 | -177.4 | -66.4 | -78.3 | 0 | 0 | 0 | 113 | Y2 I3 D4 I8 D53 H54 Q55 | Y2-Y6 AromaticContact CD2-CD2 3.6Å; Y2-Y6 HydrophobicContact CD2-CD2 3.6Å; Y2-Y6 AromaticContact CD2-CE2 3.56Å; Y2-Y6 HydrophobicContact CD2-CE2 3.56Å; Y2-Y6 AromaticContact CE2-CD2 3.35Å; Y2-Y6 HydrophobicContact CE2-CD2 3.35Å; Y2-Y6 AromaticContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CG 4.46Å; Y2-Y6 HydrophobicContact CG-CD2 4.42Å; Y2-Y6 AromaticContact CZ-CD2 4Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.31Å; Y2-Y6 PolarHBondContact O-N 3.43Å; I3-Y6 PolarHBondContact O-N 2.85Å; D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.25Å; Y6-I8 PolarHBondContact O-N 3Å; Y6-D53 WeakPolarHBondContact CE2-OD1 3.47Å; Y6-D53 PolarHBondContact OH-OD1 3.49Å; Y6-H54 AromaticContact CE1-CE1 3.56Å; Y6-H54 AromaticContact CZ-CE1 3.45Å; Y6-H54 VanDerWaalsContact CZ-CE1 3.45Å; Y6-Q55 VanDerWaalsContact OH-CD 3.28Å; Y6-Q55 WeakPolarHBondContact OH-CG 3.32Å; Y6-Q55 PolarHBondContact OH-NE2 3.48Å |
| 7 | N | 93.4 | Very high | 92.2 | Very high | 140 Ų | 140 | 108.9 Ų | 108.9 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 47.1 | -176.6 | -162.4 | 71.8 | 0 | 0 | 0 | 112.6 | I3 D4 | I3-N7 WeakPolarHBondContact O-CA 3.48Å; I3-N7 PolarHBondContact O-N 3.45Å; D4-N7 PolarHBondContact O-N 3.37Å |
| 8 | I | 94.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 107.9 Ų | 107.9 | 35% | 0.349 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 126.2 | -177.8 | -63.3 | 168.6 | 0 | 0 | 0 | 108.7 | Y2 I3 Y6 L10 | Y2-I8 HydrophobicContact CD1-CD1 4.15Å; Y2-I8 HydrophobicContact CE1-CD1 3.53Å; I3-I8 HydrophobicContact CG2-CB 4.15Å; I3-I8 WeakPolarHBondContact CG2-O 3.48Å; I3-I8 PolarHBondContact O-N 3.15Å; Y6-I8 PolarHBondContact O-N 3Å; I8-L10 PolarHBondContact O-N 3.4Å |
| 9 | E | 93.1 | Very high | 91.9 | Very high | 183 Ų | 183 | 105.2 Ų | 105.2 | 86% | 0.855 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -77 | 116.2 | 169.5 | -67 | -173.1 | 176.1 | 0 | 0 | 109.8 | ||
| 10 | L | 91.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 112.5 Ų | 112.5 | 36% | 0.356 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 129.2 | 178.4 | -169 | 68.4 | 0 | 0 | 0 | 110 | I3 I8 F14 L18 | I3-L10 HydrophobicContact CD1-CD1 4.1Å; I3-L10 HydrophobicContact CD1-CD2 4.03Å; I3-L10 HydrophobicContact CD1-CG 4.45Å; I8-L10 PolarHBondContact O-N 3.4Å; L10-F14 HydrophobicContact CD1-CB 4.11Å; L10-F14 HydrophobicContact CD1-CD2 3.78Å; L10-F14 HydrophobicContact CD1-CG 4.1Å; L10-F14 HydrophobicContact CD2-CB 3.79Å; L10-F14 HydrophobicContact CG-CB 3.84Å; L10-F14 HydrophobicContact CG-CD2 4.1Å; L10-F14 HydrophobicContact CG-CG 4.31Å; L10-L18 HydrophobicContact CD2-CD1 3.82Å |
| 11 | D | 93.8 | Very high | 91.9 | Very high | 59 Ų | 59 | 114.9 Ų | 114.9 | 32% | 0.316 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 130.6 | 175.8 | 179.2 | -34.7 | 0 | 0 | 0 | 110.2 | R13 F14 | D11-R13 PolarHBondContact O-N 2.87Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 PolarHBondContact OD1-N 3.2Å; D11-R13 IonicContact OD1-NE 3.67Å; D11-R13 PolarHBondContact OD1-NE 3.43Å; D11-R13 IonicContact OD2-CZ 3.28Å; D11-R13 VanDerWaalsContact OD2-CZ 3.28Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.35Å; D11-R13 IonicContact OD2-NH2 2.69Å; D11-R13 PolarHBondContact OD2-NH2 3.31Å; D11-F14 HydrophobicContact CB-CD2 3.81Å; D11-F14 HydrophobicContact CB-CE2 3.95Å; D11-F14 WeakPolarHBondContact O-CB 3.43Å; D11-F14 WeakPolarHBondContact O-CD2 3.25Å; D11-F14 PolarHBondContact O-N 2.91Å |
| 12 | P | 92.1 | Very high | 92.1 | Very high | 93 Ų | 93 | 110.9 Ų | 110.9 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -52.9 | -25.6 | -177.3 | -28.8 | 35.2 | 0 | 0 | 0 | 115.2 | F14 N15 | P12-F14 PolarHBondContact O-N 3.15Å; P12-F14 VanDerWaalsContact O-N 3.13Å; P12-N15 WeakPolarHBondContact O-CB 3.35Å; P12-N15 PolarHBondContact O-N 3.04Å; P12-N15 VanDerWaalsContact O-N 3.09Å; P12-N15 PolarHBondContact O-ND2 2.73Å |
| 13 | R | 93.5 | Very high | 92.2 | Very high | 183 Ų | 183 | 115.3 Ų | 115.3 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -59.3 | -22.4 | 175.8 | -66.1 | -179.3 | -65.5 | 164.5 | 1.4 | 113.3 | D11 | D11-R13 PolarHBondContact O-N 2.87Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 PolarHBondContact OD1-N 3.2Å; D11-R13 IonicContact OD1-NE 3.67Å; D11-R13 PolarHBondContact OD1-NE 3.43Å; D11-R13 IonicContact OD2-CZ 3.28Å; D11-R13 VanDerWaalsContact OD2-CZ 3.28Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.35Å; D11-R13 IonicContact OD2-NH2 2.69Å; D11-R13 PolarHBondContact OD2-NH2 3.31Å |
| 14 | F | 90.9 | Very high | 92.3 | Very high | 79 Ų | 79 | 116.8 Ų | 116.8 | 35% | 0.346 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -81.3 | -17.4 | 178.6 | -69.3 | -68.2 | 0 | 0 | 0 | 114 | L10 D11 P12 D16 I17 L18 | L10-F14 HydrophobicContact CD1-CB 4.11Å; L10-F14 HydrophobicContact CD1-CD2 3.78Å; L10-F14 HydrophobicContact CD1-CG 4.1Å; L10-F14 HydrophobicContact CD2-CB 3.79Å; L10-F14 HydrophobicContact CG-CB 3.84Å; L10-F14 HydrophobicContact CG-CD2 4.1Å; L10-F14 HydrophobicContact CG-CG 4.31Å; D11-F14 HydrophobicContact CB-CD2 3.81Å; D11-F14 HydrophobicContact CB-CE2 3.95Å; D11-F14 WeakPolarHBondContact O-CB 3.43Å; D11-F14 WeakPolarHBondContact O-CD2 3.25Å; D11-F14 PolarHBondContact O-N 2.91Å; P12-F14 PolarHBondContact O-N 3.15Å; P12-F14 VanDerWaalsContact O-N 3.13Å; F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 3.27Å; F14-I17 HydrophobicContact CD1-CD1 3.74Å; F14-I17 HydrophobicContact CD1-CG1 4.19Å; F14-I17 HydrophobicContact CE1-CD1 4.18Å; F14-I17 PolarHBondContact O-N 2.97Å; F14-L18 HydrophobicContact CB-CD1 3.81Å; F14-L18 HydrophobicContact CB-CG 4.09Å; F14-L18 HydrophobicContact CD1-CG 4.39Å; F14-L18 HydrophobicContact CG-CD1 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 WeakPolarHBondContact O-CG 3.29Å; F14-L18 PolarHBondContact O-N 2.82Å; F14-L18 VanDerWaalsContact O-N 3.14Å |
| 15 | N | 85.1 | Confident | 92.4 | Very high | 106 Ų | 106 | 119.5 Ų | 119.5 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -39.2 | -173.2 | -68.1 | -15.3 | 0 | 0 | 0 | 112.4 | P12 | P12-N15 WeakPolarHBondContact O-CB 3.35Å; P12-N15 PolarHBondContact O-N 3.04Å; P12-N15 VanDerWaalsContact O-N 3.09Å; P12-N15 PolarHBondContact O-ND2 2.73Å |
| 16 | D | 88.6 | Confident | 92.5 | Very high | 152 Ų | 152 | 116.9 Ų | 116.9 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -18.6 | -175.3 | -60.3 | -33.7 | 0 | 0 | 0 | 113.5 | F14 | F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 3.27Å |
| 17 | I | 93.3 | Very high | 92.3 | Very high | 118 Ų | 118 | 118.2 Ų | 118.2 | 61% | 0.605 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -24.4 | -173 | 64.6 | 172.9 | 0 | 0 | 0 | 114.1 | F14 | F14-I17 HydrophobicContact CD1-CD1 3.74Å; F14-I17 HydrophobicContact CD1-CG1 4.19Å; F14-I17 HydrophobicContact CE1-CD1 4.18Å; F14-I17 PolarHBondContact O-N 2.97Å |
| 18 | L | 89.4 | Confident | 92.3 | Very high | 91 Ų | 91 | 120 Ų | 120 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -76.9 | -27.1 | -178.4 | -72.1 | 179.3 | 0 | 0 | 0 | 112.8 | L10 F14 H21 | L10-L18 HydrophobicContact CD2-CD1 3.82Å; F14-L18 HydrophobicContact CB-CD1 3.81Å; F14-L18 HydrophobicContact CB-CG 4.09Å; F14-L18 HydrophobicContact CD1-CG 4.39Å; F14-L18 HydrophobicContact CG-CD1 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 WeakPolarHBondContact O-CG 3.29Å; F14-L18 PolarHBondContact O-N 2.82Å; F14-L18 VanDerWaalsContact O-N 3.14Å; L18-H21 PolarHBondContact O-CD2 3.36Å; L18-H21 PolarHBondContact O-NE2 2.83Å |
| 19 | G | 88.3 | Confident | 92.4 | Very high | 56 Ų | 56 | 121.8 Ų | 121.8 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | trans | 49.7 | -151.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 20 | R | 91.1 | Very high | 92.4 | Very high | 251 Ų | 251 | 115.8 Ų | 115.8 | 95% | 0.947 | 55% | 0.546 | S | S | * | . | trans | -123.4 | 116.8 | 171.9 | -76.9 | -177 | 169.1 | -174.4 | -2.9 | 109.8 | ||||
| 21 | H | 92.9 | Very high | 92.7 | Very high | 162 Ų | 162 | 117.5 Ų | 117.5 | 75% | 0.75 | 55% | 0.552 | S | S | * | * | trans | -125.5 | 129.3 | 179.3 | -62.2 | -65.9 | 0 | 0 | 0 | 111.2 | L18 | L18-H21 PolarHBondContact O-CD2 3.36Å; L18-H21 PolarHBondContact O-NE2 2.83Å | ||
| 22 | S | 93.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 118.3 Ų | 118.3 | 57% | 0.573 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 143.2 | 171.3 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | K24 | S22-K24 PolarHBondContact O-N 3.19Å; S22-K24 PolarHBondContact OG-NZ 3.01Å |
| 23 | R | 94.1 | Very high | 93 | Very high | 164 Ų | 164 | 120.6 Ų | 120.6 | 62% | 0.619 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.1 | 170.2 | -176.8 | 177.4 | -179.5 | 141.2 | -7 | 109.3 | D47 | R23-D47 IonicContact CZ-OD1 3.6Å; R23-D47 IonicContact NH2-OD1 2.66Å; R23-D47 PolarHBondContact NH2-OD1 3.23Å; R23-D47 IonicContact NH2-OD2 3.27Å; R23-D47 PolarHBondContact NH2-OD2 3.34Å |
| 24 | K | 95.9 | Very high | 93.1 | Very high | 94 Ų | 94 | 113.5 Ų | 113.5 | 41% | 0.409 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 142.4 | 176.1 | -57.2 | -53.3 | -177.9 | -166.1 | 0 | 109.7 | S22 F29 | S22-K24 PolarHBondContact O-N 3.19Å; S22-K24 PolarHBondContact OG-NZ 3.01Å; K24-F29 HydrophobicContact CB-CE2 4.26Å; K24-F29 HydrophobicContact CB-CZ 4.41Å |
| 25 | R | 95.6 | Very high | 93.3 | Very high | 176 Ų | 176 | 115.6 Ų | 115.6 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.9 | 166.7 | -80.9 | -169.8 | 68 | -160.2 | 6.8 | 109.8 | E27 R28 | R25-E27 VanDerWaalsContact CB-OE2 3.31Å; R25-E27 WeakPolarHBondContact CB-OE2 3.29Å; R25-E27 IonicContact CZ-OE1 2.58Å; R25-E27 IonicContact CZ-OE2 2.92Å; R25-E27 IonicContact NE-OE1 3.54Å; R25-E27 IonicContact NE-OE2 3.53Å; R25-E27 PolarHBondContact NE-OE2 3.38Å; R25-E27 IonicContact NH2-OE1 3.62Å; R25-E27 PolarHBondContact NH2-OE1 3.31Å; R25-E27 IonicContact NH2-OE2 3.76Å; R25-E27 PolarHBondContact O-N 3.35Å; R25-R28 VanDerWaalsContact O-CB 3.25Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.39Å; R25-R28 VanDerWaalsContact O-N 3.15Å |
| 26 | W | 95.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 117.3 Ų | 117.3 | 25% | 0.246 | 56% | 0.556 | C | S | . | * | G | 310 helix | trans | -62.8 | -29.9 | -177.4 | -71.2 | 116.4 | 0 | 0 | 0 | 112.9 | R28 F29 L43 L46 D47 L50 | W26-R28 PolarHBondContact O-N 3.19Å; W26-F29 HydrophobicContact CE3-CD2 4.01Å; W26-F29 HydrophobicContact CE3-CE2 4.27Å; W26-F29 HydrophobicContact CZ3-CD2 4.49Å; W26-F29 HydrophobicContact CZ3-CE2 4.47Å; W26-F29 PolarHBondContact O-N 2.97Å; W26-L43 HydrophobicContact CB-CB 4.42Å; W26-L43 HydrophobicContact CB-CD1 3.93Å; W26-L43 HydrophobicContact CB-CD2 3.82Å; W26-L43 HydrophobicContact CB-CG 4.27Å; W26-L43 HydrophobicContact CG-CD2 4.34Å; W26-L46 HydrophobicContact CD2-CD2 4.4Å; W26-L46 HydrophobicContact CE3-CD2 4.08Å; W26-L46 HydrophobicContact CH2-CD2 4.11Å; W26-L46 HydrophobicContact CH2-CG 4.37Å; W26-L46 HydrophobicContact CZ2-CD2 4.38Å; W26-L46 HydrophobicContact CZ2-CG 4.35Å; W26-L46 HydrophobicContact CZ3-CD2 3.94Å; W26-D47 PolarHBondContact NE1-OD1 2.9Å; W26-L50 HydrophobicContact CH2-CD1 3.54Å; W26-L50 HydrophobicContact CZ2-CB 4.41Å; W26-L50 HydrophobicContact CZ2-CD1 4.11Å; W26-L50 HydrophobicContact CZ3-CD1 4.41Å |
| 27 | E | 92.4 | Very high | 94 | Very high | 93 Ų | 93 | 115.9 Ų | 115.9 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -59 | -22.1 | 177.5 | -59.5 | 90.4 | 151.7 | 0 | 0 | 112.6 | R25 F29 V30 | R25-E27 VanDerWaalsContact CB-OE2 3.31Å; R25-E27 WeakPolarHBondContact CB-OE2 3.29Å; R25-E27 IonicContact CZ-OE1 2.58Å; R25-E27 IonicContact CZ-OE2 2.92Å; R25-E27 IonicContact NE-OE1 3.54Å; R25-E27 IonicContact NE-OE2 3.53Å; R25-E27 PolarHBondContact NE-OE2 3.38Å; R25-E27 IonicContact NH2-OE1 3.62Å; R25-E27 PolarHBondContact NH2-OE1 3.31Å; R25-E27 IonicContact NH2-OE2 3.76Å; R25-E27 PolarHBondContact O-N 3.35Å; E27-F29 PolarHBondContact O-N 2.89Å; E27-V30 PolarHBondContact O-N 3.48Å |
| 28 | R | 93.9 | Very high | 94.1 | Very high | 177 Ų | 177 | 112.5 Ų | 112.5 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.1 | 174.1 | -167.7 | -174.9 | -175.7 | -124.7 | -0.5 | 112.7 | R25 W26 | R25-R28 VanDerWaalsContact O-CB 3.25Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.39Å; R25-R28 VanDerWaalsContact O-N 3.15Å; W26-R28 PolarHBondContact O-N 3.19Å |
| 29 | F | 94.7 | Very high | 94.4 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -97.2 | 1.2 | -178 | -55.8 | -75.1 | 0 | 0 | 0 | 112.8 | K24 W26 E27 H31 N34 | K24-F29 HydrophobicContact CB-CE2 4.26Å; K24-F29 HydrophobicContact CB-CZ 4.41Å; W26-F29 HydrophobicContact CE3-CD2 4.01Å; W26-F29 HydrophobicContact CE3-CE2 4.27Å; W26-F29 HydrophobicContact CZ3-CD2 4.49Å; W26-F29 HydrophobicContact CZ3-CE2 4.47Å; W26-F29 PolarHBondContact O-N 2.97Å; E27-F29 PolarHBondContact O-N 2.89Å; F29-H31 PolarHBondContact O-CD2 3.38Å; F29-N34 PolarHBondContact O-ND2 3.07Å |
| 30 | V | 95.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 112 Ų | 112 | 35% | 0.345 | 53% | 0.526 | S | S | . | . | trans | -84.8 | 130.6 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | E27 N34 Q35 V38 | E27-V30 PolarHBondContact O-N 3.48Å; V30-N34 WeakPolarHBondContact CA-OD1 3.18Å; V30-Q35 HydrophobicContact CG1-CB 4.07Å; V30-V38 HydrophobicContact CG2-CB 4.37Å; V30-V38 HydrophobicContact CG2-CG1 3.84Å; V30-V38 HydrophobicContact CG2-CG2 4.2Å | ||
| 31 | H | 95.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 104.2 Ų | 104.2 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | trans | -144.3 | 169.4 | 179.2 | 54.5 | 73.2 | 0 | 0 | 0 | 110.8 | F29 E33 N34 Q35 | F29-H31 PolarHBondContact O-CD2 3.38Å; H31-E33 PolarHBondContact O-N 3.14Å; H31-E33 VanDerWaalsContact O-N 3.09Å; H31-N34 PolarHBondContact CD2-ND2 3.18Å; H31-N34 PolarHBondContact CE1-ND2 3.07Å; H31-N34 VanDerWaalsContact CE1-ND2 3.34Å; H31-N34 PolarHBondContact N-OD1 3.42Å; H31-N34 PolarHBondContact ND1-N 3.14Å; H31-N34 PolarHBondContact NE2-ND2 3.18Å; H31-N34 PolarHBondContact O-N 3.21Å; H31-N34 PolarHBondContact O-OD1 3.34Å; H31-Q35 PolarHBondContact O-N 3.35Å | ||
| 32 | S | 96.1 | Very high | 95.1 | Very high | 76 Ų | 76 | 97.3 Ų | 97.3 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -41.2 | -174.3 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | N34 Q35 | S32-N34 PolarHBondContact O-N 2.95Å; S32-Q35 WeakPolarHBondContact O-CG 3.31Å |
| 33 | E | 96.6 | Very high | 95.2 | Very high | 141 Ų | 141 | 94.9 Ų | 94.9 | 66% | 0.659 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.8 | -177.6 | -51.2 | -51.9 | 109.7 | 0 | 0 | 113.7 | H31 H36 | H31-E33 PolarHBondContact O-N 3.14Å; H31-E33 VanDerWaalsContact O-N 3.09Å; E33-H36 PolarHBondContact O-CE1 3.41Å; E33-H36 PolarHBondContact O-ND1 2.62Å |
| 34 | N | 95.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 90.5 Ų | 90.5 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -10.9 | -174.1 | 75.1 | 14.5 | 0 | 0 | 0 | 114 | F29 V30 H31 S32 H36 L37 V38 | F29-N34 PolarHBondContact O-ND2 3.07Å; V30-N34 WeakPolarHBondContact CA-OD1 3.18Å; H31-N34 PolarHBondContact CD2-ND2 3.18Å; H31-N34 PolarHBondContact CE1-ND2 3.07Å; H31-N34 VanDerWaalsContact CE1-ND2 3.34Å; H31-N34 PolarHBondContact N-OD1 3.42Å; H31-N34 PolarHBondContact ND1-N 3.14Å; H31-N34 PolarHBondContact NE2-ND2 3.18Å; H31-N34 PolarHBondContact O-N 3.21Å; H31-N34 PolarHBondContact O-OD1 3.34Å; S32-N34 PolarHBondContact O-N 2.95Å; N34-H36 PolarHBondContact O-N 3.48Å; N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 3.07Å; N34-V38 WeakPolarHBondContact O-CG2 3.49Å; N34-V38 PolarHBondContact O-N 3.18Å |
| 35 | Q | 94.9 | Very high | 95.3 | Very high | 123 Ų | 123 | 87.5 Ų | 87.5 | 58% | 0.575 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -54.8 | -32 | -173.6 | 70.1 | -176.4 | -6.3 | 0 | 0 | 113.4 | V30 H31 S32 L37 V38 | V30-Q35 HydrophobicContact CG1-CB 4.07Å; H31-Q35 PolarHBondContact O-N 3.35Å; S32-Q35 WeakPolarHBondContact O-CG 3.31Å; Q35-L37 PolarHBondContact O-N 3.27Å; Q35-V38 PolarHBondContact O-N 3.31Å |
| 36 | H | 95.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 82 Ų | 82 | 66% | 0.662 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.2 | -179.2 | 68.9 | -84.8 | 0 | 0 | 0 | 113.3 | E33 N34 | E33-H36 PolarHBondContact O-CE1 3.41Å; E33-H36 PolarHBondContact O-ND1 2.62Å; N34-H36 PolarHBondContact O-N 3.48Å |
| 37 | L | 93.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 80.2 Ų | 80.2 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -95 | -11.7 | 175 | -56.5 | 176.2 | 0 | 0 | 0 | 112.2 | N34 Q35 | N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 3.07Å; Q35-L37 PolarHBondContact O-N 3.27Å |
| 38 | V | 95.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 78.8 Ų | 78.8 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | trans | -100.5 | 114.3 | -173.4 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | V30 N34 Q35 L43 | V30-V38 HydrophobicContact CG2-CB 4.37Å; V30-V38 HydrophobicContact CG2-CG1 3.84Å; V30-V38 HydrophobicContact CG2-CG2 4.2Å; N34-V38 WeakPolarHBondContact O-CG2 3.49Å; N34-V38 PolarHBondContact O-N 3.18Å; Q35-V38 PolarHBondContact O-N 3.31Å; V38-L43 HydrophobicContact CG1-CD1 3.72Å; V38-L43 HydrophobicContact CG1-CD2 3.77Å; V38-L43 HydrophobicContact CG1-CG 3.69Å | ||
| 39 | S | 95.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | trans | -117.2 | 159.9 | 167.6 | 86 | 0 | 0 | 0 | 0 | 110.5 | E41 A42 L43 | S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 2.59Å; S39-E41 PolarHBondContact OG-N 3.36Å; S39-E41 PolarHBondContact OG-OE2 2.68Å; S39-A42 WeakPolarHBondContact O-CB 3.35Å; S39-A42 PolarHBondContact O-N 3.31Å; S39-A42 PolarHBondContact OG-N 3.4Å; S39-L43 PolarHBondContact O-N 3.21Å; S39-L43 VanDerWaalsContact O-N 3.09Å | ||
| 40 | P | 95.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 73 Ų | 73 | 68% | 0.675 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -53.5 | -39 | 174.2 | -25.9 | 35.4 | 0 | 0 | 0 | 112.7 | L43 D44 | P40-L43 PolarHBondContact O-N 2.99Å; P40-D44 WeakPolarHBondContact O-CB 3.19Å; P40-D44 PolarHBondContact O-N 2.93Å |
| 41 | E | 96.3 | Very high | 95.7 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 178 | -53.4 | 76.7 | -168.1 | 0 | 0 | 111.8 | S39 F45 H66 Y68 | S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 2.59Å; S39-E41 PolarHBondContact OG-N 3.36Å; S39-E41 PolarHBondContact OG-OE2 2.68Å; E41-F45 VanDerWaalsContact O-CB 3.28Å; E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.15Å; E41-H66 PolarHBondContact O-CE1 3.42Å; E41-Y68 HydrophobicContact CB-CD2 4.24Å |
| 42 | A | 95.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 79.5 Ų | 79.5 | 13% | 0.132 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S39 F45 L46 Y68 | S39-A42 WeakPolarHBondContact O-CB 3.35Å; S39-A42 PolarHBondContact O-N 3.31Å; S39-A42 PolarHBondContact OG-N 3.4Å; A42-F45 PolarHBondContact O-N 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.47Å; A42-L46 PolarHBondContact O-N 3.24Å; A42-Y68 HydrophobicContact CB-CD2 3.81Å; A42-Y68 HydrophobicContact CB-CE2 3.45Å; A42-Y68 VanDerWaalsContact CB-CE2 3.45Å |
| 43 | L | 96.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 77.4 Ų | 77.4 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 178.5 | -63.8 | -175.1 | 0 | 0 | 0 | 111.7 | W26 V38 S39 P40 F45 L46 D47 | W26-L43 HydrophobicContact CB-CB 4.42Å; W26-L43 HydrophobicContact CB-CD1 3.93Å; W26-L43 HydrophobicContact CB-CD2 3.82Å; W26-L43 HydrophobicContact CB-CG 4.27Å; W26-L43 HydrophobicContact CG-CD2 4.34Å; V38-L43 HydrophobicContact CG1-CD1 3.72Å; V38-L43 HydrophobicContact CG1-CD2 3.77Å; V38-L43 HydrophobicContact CG1-CG 3.69Å; S39-L43 PolarHBondContact O-N 3.21Å; S39-L43 VanDerWaalsContact O-N 3.09Å; P40-L43 PolarHBondContact O-N 2.99Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-L46 PolarHBondContact O-N 3.24Å; L43-D47 WeakPolarHBondContact O-CB 3.48Å; L43-D47 PolarHBondContact O-N 3.37Å |
| 44 | D | 95.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 74.4 Ų | 74.4 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.6 | -179.4 | 53.1 | 0 | 0 | 0 | 111.8 | P40 D47 K48 H66 | P40-D44 WeakPolarHBondContact O-CB 3.19Å; P40-D44 PolarHBondContact O-N 2.93Å; D44-D47 PolarHBondContact O-N 3.39Å; D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.01Å; D44-K48 VanDerWaalsContact OD1-CE 3.24Å; D44-K48 WeakPolarHBondContact OD1-CE 3.24Å; D44-K48 IonicContact OD1-NZ 3.36Å; D44-K48 PolarHBondContact OD1-NZ 2.97Å; D44-K48 WeakPolarHBondContact OD2-CE 3.33Å; D44-K48 IonicContact OD2-NZ 2.59Å; D44-K48 PolarHBondContact OD2-NZ 3.45Å; D44-H66 IonicContact OD2-CE1 2.73Å; D44-H66 IonicContact OD2-NE2 3.18Å; D44-H66 PolarHBondContact OD2-NE2 2.98Å |
| 45 | F | 96.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 79.3 Ų | 79.3 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 173.7 | -178.8 | -123.3 | 0 | 0 | 0 | 111.8 | E41 A42 L43 D47 K48 L49 L58 A63 H66 Y68 F69 | E41-F45 VanDerWaalsContact O-CB 3.28Å; E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.15Å; A42-F45 PolarHBondContact O-N 3.29Å; L43-F45 VanDerWaalsContact C-N 3.34Å; F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.4Å; F45-K48 PolarHBondContact O-N 3.48Å; F45-L49 HydrophobicContact CD1-CD1 4.15Å; F45-L49 HydrophobicContact CE1-CD1 3.58Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CE2-CG 4.26Å; F45-L49 HydrophobicContact CZ-CD1 3.51Å; F45-L49 HydrophobicContact CZ-CG 4.23Å; F45-L49 PolarHBondContact O-N 3.09Å; F45-L58 HydrophobicContact CD2-CD1 4.16Å; F45-L58 HydrophobicContact CE2-CD1 4.18Å; F45-A63 HydrophobicContact CE2-CB 3.63Å; F45-A63 HydrophobicContact CZ-CB 3.93Å; F45-H66 HydrophobicContact CD2-CB 3.85Å; F45-H66 AromaticContact CD2-CD2 3.94Å; F45-H66 AromaticContact CD2-CG 3.59Å; F45-H66 AromaticContact CD2-ND1 3.85Å; F45-H66 HydrophobicContact CE2-CB 4.23Å; F45-H66 AromaticContact CG-ND1 4Å; F45-Y68 HydrophobicContact CD1-CD1 4.19Å; F45-F69 HydrophobicContact CD1-CE2 4.31Å; F45-F69 HydrophobicContact CD1-CZ 4.43Å; F45-F69 HydrophobicContact CD2-CE2 4.41Å; F45-F69 AromaticContact CE1-CE2 3.74Å; F45-F69 HydrophobicContact CE1-CE2 3.74Å; F45-F69 AromaticContact CE1-CZ 3.75Å; F45-F69 HydrophobicContact CE1-CZ 3.75Å; F45-F69 AromaticContact CE2-CE2 3.88Å; F45-F69 HydrophobicContact CE2-CE2 3.88Å; F45-F69 AromaticContact CZ-CE2 3.5Å; F45-F69 HydrophobicContact CZ-CE2 3.5Å; F45-F69 VanDerWaalsContact CZ-CE2 3.5Å; F45-F69 AromaticContact CZ-CZ 3.88Å; F45-F69 HydrophobicContact CZ-CZ 3.88Å |
| 46 | L | 96.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 179.6 | -174.2 | 64.5 | 0 | 0 | 0 | 111.8 | W26 A42 L43 K48 L49 L50 | W26-L46 HydrophobicContact CD2-CD2 4.4Å; W26-L46 HydrophobicContact CE3-CD2 4.08Å; W26-L46 HydrophobicContact CH2-CD2 4.11Å; W26-L46 HydrophobicContact CH2-CG 4.37Å; W26-L46 HydrophobicContact CZ2-CD2 4.38Å; W26-L46 HydrophobicContact CZ2-CG 4.35Å; W26-L46 HydrophobicContact CZ3-CD2 3.94Å; A42-L46 WeakPolarHBondContact O-CB 3.47Å; A42-L46 PolarHBondContact O-N 3.24Å; L43-L46 PolarHBondContact O-N 3.24Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 3.56Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 PolarHBondContact O-N 3.42Å |
| 47 | D | 96 | Very high | 95.4 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 179 | -161.2 | 83.1 | 0 | 0 | 0 | 112.9 | R23 W26 L43 D44 F45 L49 R51 | R23-D47 IonicContact CZ-OD1 3.6Å; R23-D47 IonicContact NH2-OD1 2.66Å; R23-D47 PolarHBondContact NH2-OD1 3.23Å; R23-D47 IonicContact NH2-OD2 3.27Å; R23-D47 PolarHBondContact NH2-OD2 3.34Å; W26-D47 PolarHBondContact NE1-OD1 2.9Å; L43-D47 WeakPolarHBondContact O-CB 3.48Å; L43-D47 PolarHBondContact O-N 3.37Å; D44-D47 PolarHBondContact O-N 3.39Å; F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.4Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-R51 WeakPolarHBondContact O-CD 3.26Å; D47-R51 PolarHBondContact O-NE 3.26Å; D47-R51 IonicContact OD2-CZ 3.6Å; D47-R51 IonicContact OD2-NE 3.42Å; D47-R51 IonicContact OD2-NH2 2.68Å; D47-R51 PolarHBondContact OD2-NH2 2.68Å |
| 48 | K | 95.9 | Very high | 95.5 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 27% | 0.274 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.6 | -17.3 | 178.1 | -64.5 | 170.9 | -170.4 | 154.6 | 0 | 113 | D44 F45 L46 R57 L58 H66 | D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.01Å; D44-K48 VanDerWaalsContact OD1-CE 3.24Å; D44-K48 WeakPolarHBondContact OD1-CE 3.24Å; D44-K48 IonicContact OD1-NZ 3.36Å; D44-K48 PolarHBondContact OD1-NZ 2.97Å; D44-K48 WeakPolarHBondContact OD2-CE 3.33Å; D44-K48 IonicContact OD2-NZ 2.59Å; D44-K48 PolarHBondContact OD2-NZ 3.45Å; F45-K48 PolarHBondContact O-N 3.48Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.93Å; K48-R57 WeakPolarHBondContact O-CA 3.43Å; K48-L58 HydrophobicContact CB-CD1 3.53Å; K48-L58 HydrophobicContact CB-CG 3.73Å; K48-L58 HydrophobicContact CD-CD1 3.89Å; K48-L58 HydrophobicContact CD-CG 4.44Å; K48-L58 HydrophobicContact CG-CD1 4.37Å; K48-L58 PolarHBondContact O-N 2.66Å; K48-H66 PolarHBondContact NZ-NE2 2.69Å |
| 49 | L | 95.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.288 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -88.4 | -43.6 | 173.9 | -69.9 | 176.8 | 0 | 0 | 0 | 112.6 | F45 L46 D47 R51 R57 L58 | F45-L49 HydrophobicContact CD1-CD1 4.15Å; F45-L49 HydrophobicContact CE1-CD1 3.58Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CE2-CG 4.26Å; F45-L49 HydrophobicContact CZ-CD1 3.51Å; F45-L49 HydrophobicContact CZ-CG 4.23Å; F45-L49 PolarHBondContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-L49 VanDerWaalsContact O-N 3.15Å; D47-L49 VanDerWaalsContact C-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.06Å; L49-R57 VanDerWaalsContact O-CD 3.26Å; L49-R57 WeakPolarHBondContact O-CD 3.21Å; L49-R57 WeakPolarHBondContact O-CG 3.38Å; L49-L58 HydrophobicContact CD2-CB 4.15Å |
| 50 | L | 96.2 | Very high | 95.6 | Very high | 107 Ų | 107 | 75.2 Ų | 75.2 | 56% | 0.56 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -86.6 | 64.3 | -173.9 | -63.6 | -176.6 | 0 | 0 | 0 | 112 | W26 L46 | W26-L50 HydrophobicContact CH2-CD1 3.54Å; W26-L50 HydrophobicContact CZ2-CB 4.41Å; W26-L50 HydrophobicContact CZ2-CD1 4.11Å; W26-L50 HydrophobicContact CZ3-CD1 4.41Å; L46-L50 HydrophobicContact CD1-CD1 3.56Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 PolarHBondContact O-N 3.42Å |
| 51 | R | 95.8 | Very high | 95.5 | Very high | 93 Ų | 93 | 78.8 Ų | 78.8 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | trans | -110 | 136.9 | 175.8 | -59.9 | -64.2 | -178.8 | 130.8 | -2 | 111.3 | D47 L49 D53 S56 R57 | D47-R51 WeakPolarHBondContact O-CD 3.26Å; D47-R51 PolarHBondContact O-NE 3.26Å; D47-R51 IonicContact OD2-CZ 3.6Å; D47-R51 IonicContact OD2-NE 3.42Å; D47-R51 IonicContact OD2-NH2 2.68Å; D47-R51 PolarHBondContact OD2-NH2 2.68Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.06Å; R51-D53 VanDerWaalsContact C-N 3.31Å; R51-S56 WeakPolarHBondContact CB-OG 3.36Å; R51-R57 HydrophobicContact CB-CG 4.08Å | ||
| 52 | Y | 94.2 | Very high | 95.5 | Very high | 204 Ų | 204 | 78.6 Ų | 78.6 | 80% | 0.8 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -59.8 | -44.8 | 171.7 | -71.3 | -67 | 0 | 0 | 0 | 111.1 | Y2 H54 | Y2-Y52 WeakPolarHBondContact CD2-O 3.34Å; Y2-Y52 WeakPolarHBondContact CE2-O 3.28Å; Y52-H54 PolarHBondContact O-N 3.46Å |
| 53 | D | 94.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 78.4 Ų | 78.4 | 17% | 0.171 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -72.8 | 111 | 175.7 | -170.2 | -4.2 | 0 | 0 | 0 | 110.9 | Y2 K5 Y6 R51 Q55 S56 | Y2-D53 HydrophobicContact CD2-CB 4.02Å; Y2-D53 HydrophobicContact CE2-CB 4.38Å; K5-D53 IonicContact NZ-OD2 2.99Å; K5-D53 PolarHBondContact NZ-OD2 3.22Å; Y6-D53 WeakPolarHBondContact CE2-OD1 3.47Å; Y6-D53 PolarHBondContact OH-OD1 3.49Å; R51-D53 VanDerWaalsContact C-N 3.31Å; D53-Q55 VanDerWaalsContact C-N 3.26Å; D53-Q55 PolarHBondContact O-N 3.04Å; D53-Q55 PolarHBondContact OD1-N 3.24Å; D53-S56 PolarHBondContact O-N 3.29Å; D53-S56 PolarHBondContact O-OG 2.68Å |
| 54 | H | 93.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 83.5 Ų | 83.5 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -62.8 | -30.7 | -177.1 | 61.2 | -89.9 | 0 | 0 | 0 | 113.5 | Y2 Y6 Y52 S56 R57 | Y2-H54 AromaticContact CE2-ND1 3.91Å; Y2-H54 PolarHBondContact OH-ND1 3.22Å; Y6-H54 AromaticContact CE1-CE1 3.56Å; Y6-H54 AromaticContact CZ-CE1 3.45Å; Y6-H54 VanDerWaalsContact CZ-CE1 3.45Å; Y52-H54 PolarHBondContact O-N 3.46Å; H54-S56 PolarHBondContact O-N 3.25Å; H54-R57 PolarHBondContact O-N 2.88Å |
| 55 | Q | 93.6 | Very high | 95.3 | Very high | 136 Ų | 136 | 85.9 Ų | 85.9 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -72.8 | -20.3 | 177.4 | -61.5 | -177.2 | 3.4 | 0 | 0 | 112.6 | Y6 D53 | Y6-Q55 VanDerWaalsContact OH-CD 3.28Å; Y6-Q55 WeakPolarHBondContact OH-CG 3.32Å; Y6-Q55 PolarHBondContact OH-NE2 3.48Å; D53-Q55 VanDerWaalsContact C-N 3.26Å; D53-Q55 PolarHBondContact O-N 3.04Å; D53-Q55 PolarHBondContact OD1-N 3.24Å |
| 56 | S | 93.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 84.8 Ų | 84.8 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -88.5 | -5.2 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | R51 D53 H54 | R51-S56 WeakPolarHBondContact CB-OG 3.36Å; D53-S56 PolarHBondContact O-N 3.29Å; D53-S56 PolarHBondContact O-OG 2.68Å; H54-S56 PolarHBondContact O-N 3.25Å |
| 57 | R | 96.6 | Very high | 95.4 | Very high | 128 Ų | 128 | 84.7 Ų | 84.7 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -75 | 142.2 | 176.9 | -65.6 | -169.6 | -111.7 | 152.9 | 0.8 | 109.7 | K48 L49 R51 H54 T59 | K48-R57 WeakPolarHBondContact O-CA 3.43Å; L49-R57 VanDerWaalsContact O-CD 3.26Å; L49-R57 WeakPolarHBondContact O-CD 3.21Å; L49-R57 WeakPolarHBondContact O-CG 3.38Å; R51-R57 HydrophobicContact CB-CG 4.08Å; H54-R57 PolarHBondContact O-N 2.88Å; R57-T59 PolarHBondContact O-N 2.83Å |
| 58 | L | 95.8 | Very high | 95.4 | Very high | 43 Ų | 43 | 88.1 Ų | 88.1 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 135.4 | 170.2 | -67.2 | 171.7 | 0 | 0 | 0 | 110.5 | F45 K48 L49 E62 A63 | F45-L58 HydrophobicContact CD2-CD1 4.16Å; F45-L58 HydrophobicContact CE2-CD1 4.18Å; K48-L58 HydrophobicContact CB-CD1 3.53Å; K48-L58 HydrophobicContact CB-CG 3.73Å; K48-L58 HydrophobicContact CD-CD1 3.89Å; K48-L58 HydrophobicContact CD-CG 4.44Å; K48-L58 HydrophobicContact CG-CD1 4.37Å; K48-L58 PolarHBondContact O-N 2.66Å; L49-L58 HydrophobicContact CD2-CB 4.15Å; L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 3.87Å; L58-A63 HydrophobicContact CB-CB 4.4Å |
| 59 | T | 96.9 | Very high | 95.4 | Very high | 72 Ų | 72 | 88 Ų | 88 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 162.5 | 165.6 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | R57 R61 E62 A63 | R57-T59 PolarHBondContact O-N 2.83Å; T59-R61 VanDerWaalsContact C-N 3.25Å; T59-R61 PolarHBondContact O-N 3.36Å; T59-E62 WeakPolarHBondContact CB-OE2 3.47Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.15Å; T59-E62 PolarHBondContact N-OE2 3.21Å; T59-E62 PolarHBondContact O-N 2.92Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.24Å; T59-E62 PolarHBondContact OG1-N 2.79Å; T59-E62 PolarHBondContact OG1-OE2 2.87Å; T59-A63 VanDerWaalsContact O-CB 3.29Å; T59-A63 WeakPolarHBondContact O-CB 3.43Å; T59-A63 PolarHBondContact O-N 2.58Å |
| 60 | A | 96 | Very high | 95.3 | Very high | 80 Ų | 80 | 92.2 Ų | 92.2 | 66% | 0.661 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.2 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A63 M64 | A60-A63 PolarHBondContact O-N 3.34Å; A60-M64 VanDerWaalsContact O-CG 3.29Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 2.93Å |
| 61 | R | 94.1 | Very high | 95 | Very high | 179 Ų | 179 | 91.6 Ų | 91.6 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.7 | -49.4 | 177.3 | -177.9 | 177.5 | 62 | 174.1 | 0.4 | 111.5 | T59 A63 M64 E65 | T59-R61 VanDerWaalsContact C-N 3.25Å; T59-R61 PolarHBondContact O-N 3.36Å; R61-A63 PolarHBondContact O-N 3.03Å; R61-M64 PolarHBondContact O-N 3.48Å; R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.01Å |
| 62 | E | 95 | Very high | 94.8 | Very high | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 178.2 | -65 | 161.4 | 149.8 | 0 | 0 | 111.7 | L58 T59 E65 H66 | L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 3.87Å; T59-E62 WeakPolarHBondContact CB-OE2 3.47Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.15Å; T59-E62 PolarHBondContact N-OE2 3.21Å; T59-E62 PolarHBondContact O-N 2.92Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.24Å; T59-E62 PolarHBondContact OG1-N 2.79Å; T59-E62 PolarHBondContact OG1-OE2 2.87Å; E62-E65 PolarHBondContact O-N 2.83Å; E62-H66 PolarHBondContact O-N 2.99Å |
| 63 | A | 95.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 85 Ų | 85 | 10% | 0.099 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F45 L58 T59 A60 R61 E65 H66 F69 | F45-A63 HydrophobicContact CE2-CB 3.63Å; F45-A63 HydrophobicContact CZ-CB 3.93Å; L58-A63 HydrophobicContact CB-CB 4.4Å; T59-A63 VanDerWaalsContact O-CB 3.29Å; T59-A63 WeakPolarHBondContact O-CB 3.43Å; T59-A63 PolarHBondContact O-N 2.58Å; A60-A63 PolarHBondContact O-N 3.34Å; R61-A63 PolarHBondContact O-N 3.03Å; A63-E65 PolarHBondContact O-N 3.5Å; A63-H66 WeakPolarHBondContact O-CB 3.47Å; A63-H66 PolarHBondContact O-N 2.99Å; A63-H66 VanDerWaalsContact O-N 3.14Å; A63-F69 WeakPolarHBondContact O-CD2 3.31Å; A63-F69 VanDerWaalsContact O-CE2 3.31Å; A63-F69 WeakPolarHBondContact O-CE2 3.49Å |
| 64 | M | 94.7 | Very high | 94.3 | Very high | 138 Ų | 138 | 89.1 Ų | 89.1 | 68% | 0.68 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -28.4 | 175.4 | -70.2 | 173.6 | 68.4 | 0 | 0 | 112.7 | A60 R61 H66 | A60-M64 VanDerWaalsContact O-CG 3.29Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 2.93Å; R61-M64 PolarHBondContact O-N 3.48Å; M64-H66 VanDerWaalsContact C-N 3.26Å; M64-H66 PolarHBondContact O-N 3.17Å |
| 65 | E | 94.4 | Very high | 94 | Very high | 121 Ų | 121 | 89 Ų | 89 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.4 | 176.5 | -68 | 169.7 | -169.9 | 0 | 0 | 113 | R61 E62 A63 Y70 | R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.01Å; E62-E65 PolarHBondContact O-N 2.83Å; A63-E65 PolarHBondContact O-N 3.5Å; E65-Y70 WeakPolarHBondContact O-CE1 3.48Å |
| 66 | H | 97.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 88.9 Ų | 88.9 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -68.8 | 141.1 | -178 | -163.5 | -94 | 0 | 0 | 0 | 112.1 | E41 D44 F45 K48 E62 A63 M64 Y68 F69 | E41-H66 PolarHBondContact O-CE1 3.42Å; D44-H66 IonicContact OD2-CE1 2.73Å; D44-H66 IonicContact OD2-NE2 3.18Å; D44-H66 PolarHBondContact OD2-NE2 2.98Å; F45-H66 HydrophobicContact CD2-CB 3.85Å; F45-H66 AromaticContact CD2-CD2 3.94Å; F45-H66 AromaticContact CD2-CG 3.59Å; F45-H66 AromaticContact CD2-ND1 3.85Å; F45-H66 HydrophobicContact CE2-CB 4.23Å; F45-H66 AromaticContact CG-ND1 4Å; K48-H66 PolarHBondContact NZ-NE2 2.69Å; E62-H66 PolarHBondContact O-N 2.99Å; A63-H66 WeakPolarHBondContact O-CB 3.47Å; A63-H66 PolarHBondContact O-N 2.99Å; A63-H66 VanDerWaalsContact O-N 3.14Å; M64-H66 VanDerWaalsContact C-N 3.26Å; M64-H66 PolarHBondContact O-N 3.17Å; H66-Y68 WeakPolarHBondContact ND1-CB 3.18Å; H66-Y68 PolarHBondContact ND1-N 2.93Å; H66-Y68 PolarHBondContact O-N 3.02Å; H66-F69 HydrophobicContact CB-CD2 4.24Å; H66-F69 PolarHBondContact O-N 3.28Å |
| 67 | P | 96.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 89.5 Ų | 89.5 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -51.7 | -28.7 | 178.1 | -30.9 | 36.4 | 0 | 0 | 0 | 115.3 | F69 Y70 | P67-F69 PolarHBondContact O-N 3.2Å; P67-Y70 HydrophobicContact CB-CD2 4.22Å; P67-Y70 HydrophobicContact CB-CE2 4.04Å; P67-Y70 HydrophobicContact CG-CE2 4.21Å; P67-Y70 WeakPolarHBondContact O-CB 3.37Å; P67-Y70 PolarHBondContact O-N 3.29Å; P67-Y70 VanDerWaalsContact O-N 3.14Å |
| 68 | Y | 96.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 90.9 Ų | 90.9 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -54.4 | -32.4 | 174.7 | -176.8 | -111.1 | 0 | 0 | 0 | 113 | E41 A42 F45 H66 | E41-Y68 HydrophobicContact CB-CD2 4.24Å; A42-Y68 HydrophobicContact CB-CD2 3.81Å; A42-Y68 HydrophobicContact CB-CE2 3.45Å; A42-Y68 VanDerWaalsContact CB-CE2 3.45Å; F45-Y68 HydrophobicContact CD1-CD1 4.19Å; H66-Y68 WeakPolarHBondContact ND1-CB 3.18Å; H66-Y68 PolarHBondContact ND1-N 2.93Å; H66-Y68 PolarHBondContact O-N 3.02Å |
| 69 | F | 95.8 | Very high | 91.3 | Very high | 62 Ų | 62 | 94.8 Ų | 94.8 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -96.8 | 1.4 | -178.9 | -62.3 | -70.6 | 0 | 0 | 0 | 114.5 | F45 A63 H66 P67 T71 V72 V73 | F45-F69 HydrophobicContact CD1-CE2 4.31Å; F45-F69 HydrophobicContact CD1-CZ 4.43Å; F45-F69 HydrophobicContact CD2-CE2 4.41Å; F45-F69 AromaticContact CE1-CE2 3.74Å; F45-F69 HydrophobicContact CE1-CE2 3.74Å; F45-F69 AromaticContact CE1-CZ 3.75Å; F45-F69 HydrophobicContact CE1-CZ 3.75Å; F45-F69 AromaticContact CE2-CE2 3.88Å; F45-F69 HydrophobicContact CE2-CE2 3.88Å; F45-F69 AromaticContact CZ-CE2 3.5Å; F45-F69 HydrophobicContact CZ-CE2 3.5Å; F45-F69 VanDerWaalsContact CZ-CE2 3.5Å; F45-F69 AromaticContact CZ-CZ 3.88Å; F45-F69 HydrophobicContact CZ-CZ 3.88Å; A63-F69 WeakPolarHBondContact O-CD2 3.31Å; A63-F69 VanDerWaalsContact O-CE2 3.31Å; A63-F69 WeakPolarHBondContact O-CE2 3.49Å; H66-F69 HydrophobicContact CB-CD2 4.24Å; H66-F69 PolarHBondContact O-N 3.28Å; P67-F69 PolarHBondContact O-N 3.2Å; F69-T71 VanDerWaalsContact C-N 3.27Å; F69-T71 PolarHBondContact O-N 3.19Å; F69-V72 WeakPolarHBondContact O-CB 3.25Å; F69-V72 PolarHBondContact O-N 3.39Å; F69-V72 VanDerWaalsContact O-N 3.07Å; F69-V73 WeakPolarHBondContact O-CG2 3.47Å; F69-V73 PolarHBondContact O-N 3.15Å |
| 70 | Y | 93.4 | Very high | 89.6 | Confident | 143 Ų | 143 | 94.4 Ų | 94.4 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.4 | -36.5 | -175.3 | -77.1 | 0.2 | 0 | 0 | 0 | 113.7 | E65 P67 K74 | E65-Y70 WeakPolarHBondContact O-CE1 3.48Å; P67-Y70 HydrophobicContact CB-CD2 4.22Å; P67-Y70 HydrophobicContact CB-CE2 4.04Å; P67-Y70 HydrophobicContact CG-CE2 4.21Å; P67-Y70 WeakPolarHBondContact O-CB 3.37Å; P67-Y70 PolarHBondContact O-N 3.29Å; P67-Y70 VanDerWaalsContact O-N 3.14Å; Y70-K74 VanDerWaalsContact O-CB 3.25Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 3.06Å |
| 71 | T | 90.8 | Very high | 87.8 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 58% | 0.577 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | F69 K74 D75 | F69-T71 VanDerWaalsContact C-N 3.27Å; F69-T71 PolarHBondContact O-N 3.19Å; T71-K74 PolarHBondContact O-N 3.46Å; T71-D75 PolarHBondContact O-N 2.73Å |
| 72 | V | 92 | Very high | 86.1 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | F69 K74 D75 Q76 | F69-V72 WeakPolarHBondContact O-CB 3.25Å; F69-V72 PolarHBondContact O-N 3.39Å; F69-V72 VanDerWaalsContact O-N 3.07Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.09Å; V72-D75 PolarHBondContact O-N 3.22Å; V72-Q76 VanDerWaalsContact O-CB 3.31Å; V72-Q76 WeakPolarHBondContact O-CB 3.39Å; V72-Q76 PolarHBondContact O-N 3.28Å |
| 73 | V | 89.9 | Confident | 83.7 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | F69 A77 | F69-V73 WeakPolarHBondContact O-CG2 3.47Å; F69-V73 PolarHBondContact O-N 3.15Å; V73-A77 WeakPolarHBondContact O-CB 3.49Å; V73-A77 PolarHBondContact O-N 2.93Å |
| 74 | K | 87.8 | Confident | 81.7 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.5 | -178.2 | 179.4 | 179.4 | -179.7 | 0 | 112.1 | Y70 T71 V72 A77 R78 | Y70-K74 VanDerWaalsContact O-CB 3.25Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 3.06Å; T71-K74 PolarHBondContact O-N 3.46Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.09Å; K74-A77 PolarHBondContact O-N 2.73Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.4Å; K74-R78 PolarHBondContact O-N 3.27Å; K74-R78 VanDerWaalsContact O-N 3.15Å |
| 75 | D | 88.8 | Confident | 79.9 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.4 | -35.7 | -179.4 | -71.1 | -19.8 | 0 | 0 | 0 | 112 | T71 V72 A77 R78 M79 | T71-D75 PolarHBondContact O-N 2.73Å; V72-D75 PolarHBondContact O-N 3.22Å; D75-A77 PolarHBondContact O-N 2.99Å; D75-R78 WeakPolarHBondContact O-CB 3.33Å; D75-R78 PolarHBondContact O-N 2.94Å; D75-R78 IonicContact OD1-NH1 3.83Å; D75-M79 HydrophobicContact CB-CE 4.45Å; D75-M79 PolarHBondContact O-N 3.05Å |
| 76 | Q | 87.6 | Confident | 77.5 | Confident | 135 Ų | 135 | 96.7 Ų | 96.7 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -42.7 | 171.5 | -173.9 | 178.8 | -10.6 | 0 | 0 | 111.6 | V72 R78 M79 G80 | V72-Q76 VanDerWaalsContact O-CB 3.31Å; V72-Q76 WeakPolarHBondContact O-CB 3.39Å; V72-Q76 PolarHBondContact O-N 3.28Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.97Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-G80 PolarHBondContact O-N 3.13Å |
| 77 | A | 82.5 | Confident | 74.9 | Confident | 72 Ų | 72 | 99.9 Ų | 99.9 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.2 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V73 K74 D75 | V73-A77 WeakPolarHBondContact O-CB 3.49Å; V73-A77 PolarHBondContact O-N 2.93Å; K74-A77 PolarHBondContact O-N 2.73Å; D75-A77 PolarHBondContact O-N 2.99Å |
| 78 | R | 80.1 | Confident | 72.5 | Confident | 156 Ų | 156 | 102.7 Ų | 102.7 | 59% | 0.589 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -44.4 | 175.7 | -72.4 | 167.8 | 166.8 | -165.1 | -11.3 | 112.2 | K74 D75 Q76 S81 | K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.4Å; K74-R78 PolarHBondContact O-N 3.27Å; K74-R78 VanDerWaalsContact O-N 3.15Å; D75-R78 WeakPolarHBondContact O-CB 3.33Å; D75-R78 PolarHBondContact O-N 2.94Å; D75-R78 IonicContact OD1-NH1 3.83Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.97Å; R78-S81 PolarHBondContact O-N 3.09Å |
| 79 | M | 72.3 | Confident | 70.2 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 62% | 0.621 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.8 | -29.2 | 178.6 | -71 | -171.8 | -76.6 | 0 | 0 | 113 | D75 Q76 S81 S82 | D75-M79 HydrophobicContact CB-CE 4.45Å; D75-M79 PolarHBondContact O-N 3.05Å; Q76-M79 PolarHBondContact O-N 2.93Å; M79-S81 PolarHBondContact O-N 3.3Å; M79-S81 VanDerWaalsContact O-N 3.15Å; M79-S82 PolarHBondContact O-N 3.36Å; M79-S82 PolarHBondContact O-OG 3.48Å |
| 80 | G | 60.3 | Low | 68 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -9.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q76 | Q76-G80 PolarHBondContact O-N 3.13Š|
| 81 | S | 58.5 | Low | 65.9 | Low | 111 Ų | 111 | 107 Ų | 107 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -4.6 | 175.8 | -173 | 0 | 0 | 0 | 0 | 114 | R78 M79 | R78-S81 PolarHBondContact O-N 3.09Å; M79-S81 PolarHBondContact O-N 3.3Å; M79-S81 VanDerWaalsContact O-N 3.15Å |
| 82 | S | 58.5 | Low | 63.6 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -124.5 | 12.3 | -170.3 | 51.8 | 0 | 0 | 0 | 0 | 118 | M79 | M79-S82 PolarHBondContact O-N 3.36Å; M79-S82 PolarHBondContact O-OG 3.48Å |
| 83 | S | 45.5 | Very low | 61.3 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -178.1 | 127.5 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 84 | M | 51.8 | Low | 59 | Low | 164 Ų | 164 | 110.8 Ų | 110.8 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | cis | -160.5 | 156.5 | 11.6 | -92.9 | -80 | -90.7 | 0 | 0 | 109.1 | ||||
| 85 | P | 57.7 | Low | 56.8 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | trans | -85.4 | 135.6 | 154 | 33.3 | -25.5 | 0 | 0 | 0 | 110.8 | ||||
| 86 | G | 43.5 | Very low | 54.7 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | 115.7 | 131.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 87 | G | 42.6 | Very low | 52.6 | Low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | cis | -142.5 | 120.9 | 17.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 88 | S | 46.3 | Very low | 50.7 | Low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -81.5 | 108.5 | 139.9 | 31.7 | 0 | 0 | 0 | 0 | 106.5 | P90 | S88-P90 VanDerWaalsContact O-CD 3.28Å; S88-P90 WeakPolarHBondContact O-CD 3.32Å | ||
| 89 | T | 49.4 | Very low | 48.7 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -70.7 | 118.4 | 164 | 39.5 | 0 | 0 | 0 | 0 | 107.7 | V91 | T89-V91 PolarHBondContact O-N 3.14Š| ||
| 90 | P | 48.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 107.6 | 169.9 | 30.1 | -28.5 | 0 | 0 | 0 | 107.3 | S88 S92 | S88-P90 VanDerWaalsContact O-CD 3.28Å; S88-P90 WeakPolarHBondContact O-CD 3.32Å; P90-S92 PolarHBondContact O-N 3.44Å; P90-S92 VanDerWaalsContact O-N 3.15Å | ||
| 91 | V | 49.8 | Very low | 46.2 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 103 | 165.9 | 68.3 | 0 | 0 | 0 | 0 | 107.4 | T89 | T89-V91 PolarHBondContact O-N 3.14Š| ||
| 92 | S | 42.3 | Very low | 45 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -145.9 | 98.7 | 167.4 | -75.7 | 0 | 0 | 0 | 0 | 110.2 | P90 | P90-S92 PolarHBondContact O-N 3.44Å; P90-S92 VanDerWaalsContact O-N 3.15Å | ||
| 93 | S | 43.1 | Very low | 43.8 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 53.7 | 119.3 | 140.4 | -63.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 94 | A | 42.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | 135.8 | 141.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 95 | N | 40.9 | Very low | 42.8 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | cis | -172.6 | 168 | -6.1 | 177.8 | 45.8 | 0 | 0 | 0 | 105 | ||||
| 96 | M | 44.3 | Very low | 42.2 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | trans | 91.6 | 101.5 | 156 | 87.3 | -143.3 | 157.9 | 0 | 0 | 121.1 | ||||
| 97 | M | 43.8 | Very low | 42.1 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 168.5 | 86.2 | 132 | -92.6 | 150.3 | 158.4 | 0 | 0 | 108.9 | ||||
| 98 | S | 41.9 | Very low | 42.2 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | 88.2 | 85.6 | 98.9 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 99 | E | 39.4 | Very low | 41.8 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 128 | 173.1 | -168.5 | 178 | 133.2 | 0 | 0 | 109.4 | ||
| 100 | P | 41.6 | Very low | 41.3 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 122.2 | 169.5 | 29.7 | -27.4 | 0 | 0 | 0 | 110.2 | ||
| 101 | Q | 36.8 | Very low | 40.8 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.6 | 172.2 | -67.9 | 172.7 | -55 | 0 | 0 | 111 | ||
| 102 | F | 34 | Very low | 40.2 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 115.5 | 149.9 | -131.3 | -91.5 | 0 | 0 | 0 | 109.5 | ||||
| 103 | E | 33.8 | Very low | 40.1 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -83 | 138.2 | -174.6 | -167.5 | 154.7 | -174.3 | 0 | 0 | 110.2 | ||||
| 104 | G | 38.3 | Very low | 40.2 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -165.5 | 56.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 105 | Q | 38.1 | Very low | 40.2 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 67% | 0.673 | 79% | 0.79 | S | S | * | * | trans | -24.3 | 130.1 | 163 | -158.2 | 89.5 | 13.6 | 0 | 0 | 115.6 | ||||
| 106 | R | 44.4 | Very low | 40.2 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | 158.1 | 130.6 | 112.1 | -82.3 | 179.5 | -175.7 | 161.2 | 2.9 | 111.6 | |||||
| 107 | D | 40.7 | Very low | 40.1 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -39 | 143.4 | 166.7 | -50.8 | -86.1 | 0 | 0 | 0 | 113.5 | ||||
| 108 | I | 45 | Very low | 40 | Very low | 170 Ų | 170 | 153 Ų | 153 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | -156.9 | 121.9 | 126.4 | 34.4 | 175 | 0 | 0 | 0 | 110.5 | |||||
| 109 | H | 38.9 | Very low | 39.9 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -37.6 | 162.5 | 150.9 | -85 | -136.4 | 0 | 0 | 0 | 113.1 | ||||
| 110 | H | 37.9 | Very low | 39.9 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 109.6 | 93.4 | 146.5 | -150.4 | -93.4 | 0 | 0 | 0 | 115.3 | A112 | H110-A112 PolarHBondContact O-N 3.14Š| ||
| 111 | A | 38.8 | Very low | 39.8 | Very low | 98 Ų | 98 | 155.3 Ų | 155.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -48.1 | 123.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 112 | A | 37.1 | Very low | 40 | Very low | 69 Ų | 69 | 154.1 Ų | 154.1 | 57% | 0.57 | 81% | 0.806 | S | S | * | * | trans | 177.1 | 123.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H110 | H110-A112 PolarHBondContact O-N 3.14Š| ||
| 113 | V | 40.9 | Very low | 40.4 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | 58.8 | 106.3 | 125.4 | -173.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 114 | R | 44.4 | Very low | 40.8 | Very low | 213 Ų | 213 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 170.5 | 130.4 | 113.2 | -100.4 | -177.3 | 162.7 | 164.3 | -1.7 | 112.8 | |||||
| 115 | L | 42.6 | Very low | 41 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 58.4 | 123.6 | 130.9 | -60.2 | 164 | 0 | 0 | 0 | 116.6 | ||||
| 116 | G | 41.8 | Very low | 41.2 | Very low | 59 Ų | 59 | 155.3 Ų | 155.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | 83.3 | 117.9 | 56.8 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 117 | Q | 41.8 | Very low | 40.9 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 75.2 | 105.1 | 170.8 | -64.3 | 152.8 | -45.6 | 0 | 0 | 116.4 | ||||
| 118 | L | 41.1 | Very low | 40.9 | Very low | 251 Ų | 251 | 150.9 Ų | 150.9 | 100% | 1.314 | 82% | 0.815 | S | S | * | * | -151.5 | 0 | 87.8 | -88.5 | 163 | 0 | 0 | 0 | 109.4 |
Retrieved 118 of 118 residues in 28.7 ms
(Link to these results)