| 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 | 32.5 | Very low | 56.7 | Low | 237 Ų | 237 | 118.9 Ų | 118.9 | 100% | 1.167 | 68% | 0.682 | S | S | * | * | 0 | 127.8 | 0 | -76.9 | 172.2 | 179 | 0 | 0 | 107.6 | T3 | M1-T3 PolarHBondContact O-N 3.4Š| |||
| 2 | K | 27.7 | Very low | 60.1 | Low | 214 Ų | 214 | 118.4 Ų | 118.4 | 93% | 0.93 | 67% | 0.669 | S | S | * | * | trans | -68.1 | 100.5 | 167.8 | -74.2 | -178.9 | 175.6 | -179.2 | 0 | 106.3 | G4 | K2-G4 PolarHBondContact O-N 3.45Š| ||
| 3 | T | 32.8 | Very low | 63 | Low | 129 Ų | 129 | 110 Ų | 110 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 124.5 | 167.1 | 40.6 | 0 | 0 | 0 | 0 | 106.4 | M1 | M1-T3 PolarHBondContact O-N 3.4Š|
| 4 | G | 28.9 | Very low | 65.4 | Low | 53 Ų | 53 | 108.2 Ų | 108.2 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 167.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | K2 L6 | K2-G4 PolarHBondContact O-N 3.45Å; G4-L6 PolarHBondContact O-N 2.88Å |
| 5 | P | 38.4 | Very low | 67.6 | Low | 132 Ų | 132 | 102 Ų | 102 | 86% | 0.857 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 124.3 | 174.1 | 23.2 | -32.8 | 0 | 0 | 0 | 108.3 | A7 | P5-A7 PolarHBondContact O-N 3.3Å; P5-A7 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 50.3 | Low | 69.4 | Low | 115 Ų | 115 | 103.6 Ų | 103.6 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 123.3 | 170.3 | -90.7 | 141.5 | 0 | 0 | 0 | 106.4 | G4 A8 | G4-L6 PolarHBondContact O-N 2.88Å; L6-A8 PolarHBondContact O-N 3.15Å; L6-A8 VanDerWaalsContact O-N 3.13Å |
| 7 | A | 59 | Low | 71 | Confident | 87 Ų | 87 | 103.4 Ų | 103.4 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | P5 M9 | P5-A7 PolarHBondContact O-N 3.3Å; P5-A7 VanDerWaalsContact O-N 3.1Å; A7-M9 PolarHBondContact O-N 3.47Å |
| 8 | A | 74.6 | Confident | 72.5 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 137.1 | -173 | 0 | 0 | 0 | 0 | 0 | 110.9 | L6 Q10 | L6-A8 PolarHBondContact O-N 3.15Å; L6-A8 VanDerWaalsContact O-N 3.13Å; A8-Q10 PolarHBondContact O-N 2.91Å |
| 9 | M | 90.3 | Very high | 73.8 | Confident | 17 Ų | 17 | 94.2 Ų | 94.2 | 8% | 0.084 | 51% | 0.51 | C | S | . | . | trans | -44.7 | 127.6 | 177.4 | -173.8 | 179.5 | 175.4 | 0 | 0 | 110.8 | A7 W682 V685 Y686 L780 E783 | A7-M9 PolarHBondContact O-N 3.47Å; M9-W682 HydrophobicContact CE-CD2 3.43Å; M9-W682 VanDerWaalsContact CE-CD2 3.43Å; M9-W682 HydrophobicContact CE-CE3 3.83Å; M9-W682 HydrophobicContact CE-CG 3.87Å; M9-W682 HydrophobicContact CE-CH2 3.98Å; M9-W682 HydrophobicContact CE-CZ2 3.61Å; M9-W682 HydrophobicContact CE-CZ3 4.08Å; M9-W682 HydrophobicContact CG-CH2 4.36Å; M9-W682 HydrophobicContact CG-CZ2 3.87Å; M9-V685 HydrophobicContact CE-CB 4.42Å; M9-V685 HydrophobicContact CE-CG1 4.31Å; M9-V685 HydrophobicContact SD-CG1 4.24Å; M9-Y686 HydrophobicContact CB-CD2 4.36Å; M9-Y686 HydrophobicContact CG-CD2 4.24Å; M9-Y686 WeakPolarHBondContact O-CE2 3.39Å; M9-Y686 HydrophobicContact SD-CD2 4.39Å; M9-L780 HydrophobicContact CE-CD2 3.43Å; M9-L780 VanDerWaalsContact CE-CD2 3.43Å; M9-E783 HydrophobicContact CB-CG 4Å; M9-E783 HydrophobicContact CG-CG 4.09Å; M9-E783 HydrophobicContact SD-CB 4.09Å; M9-E783 HydrophobicContact SD-CG 3.92Å | ||
| 10 | Q | 93.9 | Very high | 75 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | trans | -70.5 | 144.1 | 175 | -69.1 | -64.7 | -49.5 | 0 | 0 | 110.5 | A8 Q12 W682 | A8-Q10 PolarHBondContact O-N 2.91Å; Q10-Q12 VanDerWaalsContact C-N 3.29Å; Q10-Q12 PolarHBondContact O-N 3.2Å; Q10-W682 WeakPolarHBondContact O-CZ2 3.41Å; Q10-W682 PolarHBondContact O-NE1 2.88Å | ||
| 11 | E | 95.6 | Very high | 76.1 | Confident | 130 Ų | 130 | 96 Ų | 96 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -63.3 | -35.9 | 179.3 | -178 | 175.4 | 178.1 | 0 | 0 | 112.3 | W682 Y686 | E11-W682 PolarHBondContact O-NE1 2.99Å; E11-Y686 HydrophobicContact CB-CD1 4.33Å; E11-Y686 HydrophobicContact CB-CE1 3.85Å; E11-Y686 HydrophobicContact CB-CE2 4.13Å; E11-Y686 HydrophobicContact CG-CD1 4.03Å; E11-Y686 HydrophobicContact CG-CE1 3.66Å |
| 12 | Q | 96.7 | Very high | 79.3 | Confident | 113 Ų | 113 | 85 Ų | 85 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -95.6 | 131.1 | -177.7 | -169.3 | -178.1 | 5.5 | 0 | 0 | 111.6 | Q10 R14 | Q10-Q12 VanDerWaalsContact C-N 3.29Å; Q10-Q12 PolarHBondContact O-N 3.2Å; Q12-R14 HydrophobicContact CG-CG 4.49Å; Q12-R14 PolarHBondContact O-N 3.29Å |
| 13 | Y | 97.7 | Very high | 82.7 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 4% | 0.035 | 43% | 0.426 | C | S | . | . | trans | -68.7 | 120.7 | 169.3 | 176.1 | -133 | 0 | 0 | 0 | 111 | P15 I18 L678 K679 W682 I776 | Y13-P15 HydrophobicContact CD1-CG 4.48Å; Y13-P15 HydrophobicContact CE1-CG 3.82Å; Y13-P15 HydrophobicContact CE2-CG 4.23Å; Y13-I18 HydrophobicContact CD2-CD1 4.04Å; Y13-I18 HydrophobicContact CE2-CD1 4.06Å; Y13-L678 HydrophobicContact CD1-CB 4.34Å; Y13-L678 HydrophobicContact CE1-CB 3.97Å; Y13-L678 HydrophobicContact CE1-CD1 4.29Å; Y13-K679 HydrophobicContact CD1-CG 4.15Å; Y13-W682 HydrophobicContact CD2-CD2 4.07Å; Y13-W682 AromaticContact CD2-CE3 3.67Å; Y13-W682 HydrophobicContact CD2-CE3 3.67Å; Y13-W682 HydrophobicContact CD2-CZ3 4.05Å; Y13-W682 HydrophobicContact CE2-CE3 4.48Å; Y13-W682 HydrophobicContact CG-CB 4.5Å; Y13-W682 HydrophobicContact CG-CD2 4.29Å; Y13-W682 HydrophobicContact CG-CE3 4.29Å; Y13-W682 HydrophobicContact CG-CG 4.41Å; Y13-I776 HydrophobicContact CD2-CD1 4.03Å; Y13-I776 HydrophobicContact CD2-CG1 4.27Å; Y13-I776 HydrophobicContact CE1-CD1 4.31Å; Y13-I776 HydrophobicContact CE2-CB 4.16Å; Y13-I776 HydrophobicContact CE2-CD1 3.82Å; Y13-I776 HydrophobicContact CE2-CG1 3.89Å; Y13-I776 HydrophobicContact CG-CD1 4.38Å | ||
| 14 | R | 97.6 | Very high | 85.8 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | trans | -129.8 | 95.8 | 178.6 | -70.2 | -175.5 | -174.5 | 174.2 | 3 | 110.2 | Q12 E16 E17 | Q12-R14 HydrophobicContact CG-CG 4.49Å; Q12-R14 PolarHBondContact O-N 3.29Å; R14-E16 VanDerWaalsContact C-OE2 3.31Å; R14-E16 PolarHBondContact O-N 3.47Å; R14-E17 HydrophobicContact CB-CB 4.26Å; R14-E17 HydrophobicContact CB-CG 4.11Å; R14-E17 VanDerWaalsContact CD-CD 3.49Å; R14-E17 WeakPolarHBondContact CD-OE1 3.48Å; R14-E17 IonicContact CZ-OE1 3.33Å; R14-E17 IonicContact NE-OE1 3.59Å; R14-E17 IonicContact NH1-OE1 3.15Å; R14-E17 PolarHBondContact NH1-OE1 3.21Å; R14-E17 PolarHBondContact O-N 2.84Å | ||
| 15 | P | 97.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -54.2 | -39 | -178.6 | -19.7 | 26.3 | 0 | 0 | 0 | 113.1 | Y13 E17 I18 E19 | Y13-P15 HydrophobicContact CD1-CG 4.48Å; Y13-P15 HydrophobicContact CE1-CG 3.82Å; Y13-P15 HydrophobicContact CE2-CG 4.23Å; P15-E17 PolarHBondContact O-N 3.32Å; P15-I18 PolarHBondContact O-N 3.32Å; P15-E19 HydrophobicContact CB-CG 4.17Å; P15-E19 WeakPolarHBondContact O-CG 3.28Å; P15-E19 PolarHBondContact O-N 3.17Å |
| 16 | E | 96 | Very high | 92 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -62.7 | -25.9 | -177.6 | 70.7 | -78.5 | -170.1 | 0 | 0 | 113.9 | R14 | R14-E16 VanDerWaalsContact C-OE2 3.31Å; R14-E16 PolarHBondContact O-N 3.47Å |
| 17 | E | 96.8 | Very high | 94.3 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -88.7 | -7.3 | 177.4 | -63.4 | -178.5 | -170 | 0 | 0 | 112.6 | R14 P15 | R14-E17 HydrophobicContact CB-CB 4.26Å; R14-E17 HydrophobicContact CB-CG 4.11Å; R14-E17 VanDerWaalsContact CD-CD 3.49Å; R14-E17 WeakPolarHBondContact CD-OE1 3.48Å; R14-E17 IonicContact CZ-OE1 3.33Å; R14-E17 IonicContact NE-OE1 3.59Å; R14-E17 IonicContact NH1-OE1 3.15Å; R14-E17 PolarHBondContact NH1-OE1 3.21Å; R14-E17 PolarHBondContact O-N 2.84Å; P15-E17 PolarHBondContact O-N 3.32Å |
| 18 | I | 98.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -54.4 | -170.3 | -63 | 168.9 | 0 | 0 | 0 | 111.9 | Y13 P15 S20 K21 V22 W682 H775 T779 | Y13-I18 HydrophobicContact CD2-CD1 4.04Å; Y13-I18 HydrophobicContact CE2-CD1 4.06Å; P15-I18 PolarHBondContact O-N 3.32Å; I18-S20 PolarHBondContact O-N 3.35Å; I18-K21 WeakPolarHBondContact O-CB 3.48Å; I18-K21 PolarHBondContact O-N 2.97Å; I18-K21 VanDerWaalsContact O-N 3.07Å; I18-V22 HydrophobicContact CG2-CG2 4.01Å; I18-V22 WeakPolarHBondContact O-CG2 3.39Å; I18-V22 PolarHBondContact O-N 3.49Å; I18-W682 HydrophobicContact CD1-CH2 3.45Å; I18-W682 VanDerWaalsContact CD1-CH2 3.45Å; I18-W682 HydrophobicContact CD1-CZ2 4.44Å; I18-W682 HydrophobicContact CD1-CZ3 3.49Å; I18-W682 VanDerWaalsContact CD1-CZ3 3.49Å; I18-H775 HydrophobicContact CG2-CB 4.39Å; I18-T779 WeakPolarHBondContact CG2-OG1 3.27Å |
| 19 | E | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | -164.1 | -68.2 | -175.6 | 162.2 | 0 | 0 | 111.9 | P15 K21 V22 Q23 G646 A647 D648 H775 | P15-E19 HydrophobicContact CB-CG 4.17Å; P15-E19 WeakPolarHBondContact O-CG 3.28Å; P15-E19 PolarHBondContact O-N 3.17Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 2.84Å; E19-V22 PolarHBondContact O-N 3.03Å; E19-Q23 WeakPolarHBondContact O-CB 3.35Å; E19-Q23 VanDerWaalsContact O-CD 3.26Å; E19-Q23 WeakPolarHBondContact O-CG 3.18Å; E19-Q23 PolarHBondContact O-N 2.9Å; E19-G646 VanDerWaalsContact OE1-C 3.31Å; E19-G646 WeakPolarHBondContact OE1-CA 3.14Å; E19-G646 WeakPolarHBondContact OE2-CA 3.4Å; E19-A647 PolarHBondContact OE1-N 3.01Å; E19-A647 PolarHBondContact OE2-N 2.83Å; E19-D648 PolarHBondContact OE1-N 2.97Å; E19-H775 HydrophobicContact CB-CB 4.38Å; E19-H775 HydrophobicContact CG-CB 3.8Å |
| 20 | S | 97.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 77.9 Ų | 77.9 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | I18 L24 | I18-S20 PolarHBondContact O-N 3.35Å; S20-L24 WeakPolarHBondContact O-CB 3.32Å; S20-L24 PolarHBondContact O-N 3.18Å |
| 21 | K | 98.2 | Very high | 97.9 | Very high | 153 Ų | 153 | 73.2 Ų | 73.2 | 67% | 0.665 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -71.1 | -42.1 | 179.3 | -166.9 | -175.5 | -178.2 | -174.4 | 0 | 111.4 | I18 E19 H25 | I18-K21 WeakPolarHBondContact O-CB 3.48Å; I18-K21 PolarHBondContact O-N 2.97Å; I18-K21 VanDerWaalsContact O-N 3.07Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 2.84Å; K21-H25 PolarHBondContact O-N 3.43Å |
| 22 | V | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -41 | 176 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | I18 E19 L24 H25 W26 F778 | I18-V22 HydrophobicContact CG2-CG2 4.01Å; I18-V22 WeakPolarHBondContact O-CG2 3.39Å; I18-V22 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.03Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 2.88Å; V22-H25 WeakPolarHBondContact O-CB 3.48Å; V22-H25 PolarHBondContact O-N 3.46Å; V22-H25 VanDerWaalsContact O-N 3.15Å; V22-W26 HydrophobicContact CG1-CD2 4.02Å; V22-W26 HydrophobicContact CG1-CE3 4.3Å; V22-W26 HydrophobicContact CG1-CH2 3.58Å; V22-W26 HydrophobicContact CG1-CZ2 3.3Å; V22-W26 HydrophobicContact CG1-CZ3 4.09Å; V22-W26 PolarHBondContact O-N 3.28Å; V22-F778 HydrophobicContact CG1-CB 3.9Å; V22-F778 HydrophobicContact CG1-CD1 4.01Å; V22-F778 HydrophobicContact CG1-CD2 4.11Å; V22-F778 HydrophobicContact CG1-CG 3.74Å; V22-F778 HydrophobicContact CG2-CB 4.29Å; V22-F778 HydrophobicContact CG2-CD1 3.75Å; V22-F778 HydrophobicContact CG2-CE1 4.42Å; V22-F778 HydrophobicContact CG2-CG 4.2Å |
| 23 | Q | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 174.9 | -71.1 | 158.7 | 13.7 | 0 | 0 | 111.7 | E19 H25 W26 D27 K121 M122 H775 | E19-Q23 WeakPolarHBondContact O-CB 3.35Å; E19-Q23 VanDerWaalsContact O-CD 3.26Å; E19-Q23 WeakPolarHBondContact O-CG 3.18Å; E19-Q23 PolarHBondContact O-N 2.9Å; Q23-H25 VanDerWaalsContact C-N 3.33Å; Q23-H25 PolarHBondContact O-N 2.95Å; Q23-W26 HydrophobicContact CG-CE3 4.26Å; Q23-W26 HydrophobicContact CG-CZ3 4.1Å; Q23-W26 PolarHBondContact O-N 3.47Å; Q23-D27 PolarHBondContact O-N 3.26Å; Q23-K121 PolarHBondContact NE2-O 3.06Å; Q23-K121 PolarHBondContact OE1-O 3.47Å; Q23-M122 PolarHBondContact NE2-O 3Å; Q23-H775 PolarHBondContact NE2-NE2 2.96Å |
| 24 | L | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 48% | 0.482 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.8 | -177.3 | 64.1 | 0 | 0 | 0 | 111.7 | S20 V22 W26 D27 E28 | S20-L24 WeakPolarHBondContact O-CB 3.32Å; S20-L24 PolarHBondContact O-N 3.18Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 2.88Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.33Å; L24-D27 PolarHBondContact O-N 3.43Å; L24-E28 HydrophobicContact CD1-CG 4.11Å; L24-E28 HydrophobicContact CG-CG 4.24Å; L24-E28 WeakPolarHBondContact O-CB 3.4Å; L24-E28 WeakPolarHBondContact O-CG 3.31Å; L24-E28 PolarHBondContact O-N 3.44Å |
| 25 | H | 98.7 | Very high | 98.3 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.1 | 175 | 91.6 | 0 | 0 | 0 | 111.4 | K21 V22 Q23 D27 E28 K29 F778 D789 | K21-H25 PolarHBondContact O-N 3.43Å; V22-H25 WeakPolarHBondContact O-CB 3.48Å; V22-H25 PolarHBondContact O-N 3.46Å; V22-H25 VanDerWaalsContact O-N 3.15Å; Q23-H25 VanDerWaalsContact C-N 3.33Å; Q23-H25 PolarHBondContact O-N 2.95Å; H25-D27 PolarHBondContact O-N 3.48Å; H25-E28 PolarHBondContact O-N 3.21Å; H25-K29 VanDerWaalsContact O-CB 3.23Å; H25-K29 WeakPolarHBondContact O-CB 3.41Å; H25-K29 VanDerWaalsContact O-CG 3.26Å; H25-K29 WeakPolarHBondContact O-CG 3.47Å; H25-K29 PolarHBondContact O-N 2.77Å; H25-F778 AromaticContact CD2-CE2 3.72Å; H25-F778 AromaticContact CD2-CZ 3.5Å; H25-F778 AromaticContact NE2-CE2 3.79Å; H25-F778 AromaticContact NE2-CZ 3.51Å; H25-D789 IonicContact CD2-OD2 3.55Å; H25-D789 IonicContact CE1-OD2 3.64Å; H25-D789 PolarHBondContact CE1-OD2 3.34Å; H25-D789 IonicContact NE2-OD2 2.8Å; H25-D789 PolarHBondContact NE2-OD2 3.41Å |
| 26 | W | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 178.2 | -65.8 | -37.2 | 0 | 0 | 0 | 112.9 | V22 Q23 L24 R30 T31 F32 P774 H775 D791 | V22-W26 HydrophobicContact CG1-CD2 4.02Å; V22-W26 HydrophobicContact CG1-CE3 4.3Å; V22-W26 HydrophobicContact CG1-CH2 3.58Å; V22-W26 HydrophobicContact CG1-CZ2 3.3Å; V22-W26 HydrophobicContact CG1-CZ3 4.09Å; V22-W26 PolarHBondContact O-N 3.28Å; Q23-W26 HydrophobicContact CG-CE3 4.26Å; Q23-W26 HydrophobicContact CG-CZ3 4.1Å; Q23-W26 PolarHBondContact O-N 3.47Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.33Å; W26-R30 WeakPolarHBondContact O-CA 3.39Å; W26-R30 PolarHBondContact O-N 3.23Å; W26-T31 WeakPolarHBondContact CA-OG1 3.33Å; W26-T31 PolarHBondContact O-N 2.86Å; W26-T31 PolarHBondContact O-OG1 3.38Å; W26-F32 HydrophobicContact CB-CD2 4.39Å; W26-F32 HydrophobicContact CB-CE2 4.02Å; W26-F32 AromaticContact CD1-CE2 3.93Å; W26-F32 AromaticContact CD2-CE2 3.83Å; W26-F32 HydrophobicContact CD2-CE2 3.83Å; W26-F32 HydrophobicContact CD2-CZ 4.44Å; W26-F32 HydrophobicContact CE3-CE2 4.32Å; W26-F32 AromaticContact CG-CE2 3.68Å; W26-F32 HydrophobicContact CG-CE2 3.68Å; W26-F32 HydrophobicContact CG-CZ 4.45Å; W26-P774 HydrophobicContact CH2-CB 3.7Å; W26-P774 HydrophobicContact CH2-CG 3.88Å; W26-P774 HydrophobicContact CZ2-CB 3.93Å; W26-H775 AromaticContact CH2-CD2 3.68Å; W26-H775 AromaticContact CH2-NE2 3.91Å; W26-H775 AromaticContact CZ3-CD2 3.68Å; W26-H775 AromaticContact CZ3-NE2 3.6Å; W26-D791 VanDerWaalsContact NE1-CG 3.32Å; W26-D791 PolarHBondContact NE1-OD1 3.31Å; W26-D791 PolarHBondContact NE1-OD2 3.43Å |
| 27 | D | 98.2 | Very high | 98.5 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 176.5 | -83.1 | -20.9 | 0 | 0 | 0 | 111.3 | Q23 L24 H25 K29 R30 K121 | Q23-D27 PolarHBondContact O-N 3.26Å; L24-D27 PolarHBondContact O-N 3.43Å; H25-D27 PolarHBondContact O-N 3.48Å; D27-K29 VanDerWaalsContact C-N 3.31Å; D27-K29 PolarHBondContact O-N 3.22Å; D27-R30 PolarHBondContact O-N 3.24Å; D27-K121 IonicContact OD1-NZ 2.68Å; D27-K121 PolarHBondContact OD1-NZ 2.85Å; D27-K121 IonicContact OD2-NZ 2.92Å; D27-K121 PolarHBondContact OD2-NZ 3.18Å |
| 28 | E | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 67.5 Ų | 67.5 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | -179.7 | -73.9 | -175.4 | 167.8 | 0 | 0 | 112.5 | L24 H25 | L24-E28 HydrophobicContact CD1-CG 4.11Å; L24-E28 HydrophobicContact CG-CG 4.24Å; L24-E28 WeakPolarHBondContact O-CB 3.4Å; L24-E28 WeakPolarHBondContact O-CG 3.31Å; L24-E28 PolarHBondContact O-N 3.44Å; H25-E28 PolarHBondContact O-N 3.21Å |
| 29 | K | 98.7 | Very high | 98.6 | Very high | 139 Ų | 139 | 71.6 Ų | 71.6 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -86 | -6.8 | 178.3 | -65.8 | -60.1 | -175.6 | -176.4 | 0 | 114.1 | H25 D27 T31 | H25-K29 VanDerWaalsContact O-CB 3.23Å; H25-K29 WeakPolarHBondContact O-CB 3.41Å; H25-K29 VanDerWaalsContact O-CG 3.26Å; H25-K29 WeakPolarHBondContact O-CG 3.47Å; H25-K29 PolarHBondContact O-N 2.77Å; D27-K29 VanDerWaalsContact C-N 3.31Å; D27-K29 PolarHBondContact O-N 3.22Å; K29-T31 PolarHBondContact O-N 2.91Å |
| 30 | R | 98.7 | Very high | 98.6 | Very high | 155 Ų | 155 | 75.9 Ų | 75.9 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.7 | -174.2 | -62.7 | 174.9 | 170.5 | -101 | -4.2 | 111.4 | W26 D27 F32 E33 | W26-R30 WeakPolarHBondContact O-CA 3.39Å; W26-R30 PolarHBondContact O-N 3.23Å; D27-R30 PolarHBondContact O-N 3.24Å; R30-F32 PolarHBondContact O-N 3.42Å; R30-F32 VanDerWaalsContact O-N 3.12Å; R30-E33 HydrophobicContact CB-CB 4.15Å; R30-E33 HydrophobicContact CB-CG 3.86Å; R30-E33 VanDerWaalsContact CD-OE2 3.3Å; R30-E33 WeakPolarHBondContact CD-OE2 3.4Å; R30-E33 HydrophobicContact CG-CG 4.38Å; R30-E33 WeakPolarHBondContact CG-OE1 3.37Å; R30-E33 IonicContact CZ-OE1 2.7Å; R30-E33 IonicContact CZ-OE2 3.66Å; R30-E33 IonicContact NE-OE1 3.32Å; R30-E33 IonicContact NE-OE2 2.7Å; R30-E33 IonicContact NH1-OE1 3.5Å; R30-E33 PolarHBondContact NH1-OE1 3.49Å; R30-E33 IonicContact NH1-OE2 3.94Å; R30-E33 PolarHBondContact NH1-OE2 3.44Å; R30-E33 PolarHBondContact O-N 3.25Å; R30-E33 VanDerWaalsContact O-N 3.1Å |
| 31 | T | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 78.3 Ų | 78.3 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.3 | -165.1 | -61.4 | 0 | 0 | 0 | 0 | 113 | W26 K29 R75 D791 | W26-T31 WeakPolarHBondContact CA-OG1 3.33Å; W26-T31 PolarHBondContact O-N 2.86Å; W26-T31 PolarHBondContact O-OG1 3.38Å; K29-T31 PolarHBondContact O-N 2.91Å; T31-R75 PolarHBondContact O-NH1 2.85Å; T31-R75 PolarHBondContact O-NH2 2.82Å; T31-D791 HydrophobicContact CG2-CB 3.98Å |
| 32 | F | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 2.1 | -176.7 | -57.2 | -70.8 | 0 | 0 | 0 | 113.9 | W26 R30 G126 D128 | W26-F32 HydrophobicContact CB-CD2 4.39Å; W26-F32 HydrophobicContact CB-CE2 4.02Å; W26-F32 AromaticContact CD1-CE2 3.93Å; W26-F32 AromaticContact CD2-CE2 3.83Å; W26-F32 HydrophobicContact CD2-CE2 3.83Å; W26-F32 HydrophobicContact CD2-CZ 4.44Å; W26-F32 HydrophobicContact CE3-CE2 4.32Å; W26-F32 AromaticContact CG-CE2 3.68Å; W26-F32 HydrophobicContact CG-CE2 3.68Å; W26-F32 HydrophobicContact CG-CZ 4.45Å; R30-F32 PolarHBondContact O-N 3.42Å; R30-F32 VanDerWaalsContact O-N 3.12Å; F32-G126 VanDerWaalsContact CG-CA 3.49Å; F32-D128 WeakPolarHBondContact O-CB 3.38Å |
| 33 | E | 98.9 | Very high | 98.7 | Very high | 68 Ų | 68 | 73.3 Ų | 73.3 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | trans | -69.5 | 133.9 | 169.7 | -63.2 | -172.7 | -170.6 | 0 | 0 | 109.5 | R30 | R30-E33 HydrophobicContact CB-CB 4.15Å; R30-E33 HydrophobicContact CB-CG 3.86Å; R30-E33 VanDerWaalsContact CD-OE2 3.3Å; R30-E33 WeakPolarHBondContact CD-OE2 3.4Å; R30-E33 HydrophobicContact CG-CG 4.38Å; R30-E33 WeakPolarHBondContact CG-OE1 3.37Å; R30-E33 IonicContact CZ-OE1 2.7Å; R30-E33 IonicContact CZ-OE2 3.66Å; R30-E33 IonicContact NE-OE1 3.32Å; R30-E33 IonicContact NE-OE2 2.7Å; R30-E33 IonicContact NH1-OE1 3.5Å; R30-E33 PolarHBondContact NH1-OE1 3.49Å; R30-E33 IonicContact NH1-OE2 3.94Å; R30-E33 PolarHBondContact NH1-OE2 3.44Å; R30-E33 PolarHBondContact O-N 3.25Å; R30-E33 VanDerWaalsContact O-N 3.1Å | ||
| 34 | V | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -133.2 | 151.1 | -177 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | N80 V81 L82 D128 R131 W529 | V34-N80 WeakPolarHBondContact CB-OD1 3.29Å; V34-N80 WeakPolarHBondContact CG1-OD1 3.08Å; V34-V81 VanDerWaalsContact CG1-O 3.31Å; V34-V81 WeakPolarHBondContact CG1-O 3.38Å; V34-L82 HydrophobicContact CG2-CB 4.03Å; V34-L82 HydrophobicContact CG2-CD1 3.93Å; V34-D128 PolarHBondContact N-OD2 3.42Å; V34-R131 PolarHBondContact O-NE 3.45Å; V34-R131 PolarHBondContact O-NH2 3.5Å; V34-W529 HydrophobicContact CB-CH2 4.22Å; V34-W529 HydrophobicContact CB-CZ2 4.18Å; V34-W529 HydrophobicContact CG2-CH2 3.82Å; V34-W529 HydrophobicContact CG2-CZ2 3.67Å | ||
| 35 | T | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | trans | -121.9 | 168.5 | 176.1 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | D37 N80 | T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.19Å; T35-N80 PolarHBondContact O-ND2 3.35Å | ||
| 36 | E | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | trans | -73.7 | 83.2 | 174.8 | -61.2 | 65.5 | -139.8 | 0 | 0 | 109.3 | R131 A525 Y528 W529 | E36-R131 IonicContact OE1-CZ 2.9Å; E36-R131 IonicContact OE1-NH1 3.18Å; E36-R131 IonicContact OE1-NH2 2.73Å; E36-R131 PolarHBondContact OE1-NH2 3.31Å; E36-R131 IonicContact OE2-NH2 3.98Å; E36-A525 HydrophobicContact CG-CB 4.1Å; E36-Y528 HydrophobicContact CB-CD1 3.9Å; E36-Y528 HydrophobicContact CB-CD2 4.1Å; E36-Y528 HydrophobicContact CB-CE1 4.3Å; E36-Y528 HydrophobicContact CB-CE2 4.45Å; E36-Y528 HydrophobicContact CB-CG 3.82Å; E36-Y528 HydrophobicContact CG-CD1 3.77Å; E36-Y528 HydrophobicContact CG-CE1 4.46Å; E36-Y528 HydrophobicContact CG-CG 3.92Å; E36-W529 PolarHBondContact OE1-NE1 3.4Å | ||
| 37 | D | 98.6 | Very high | 98.7 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | trans | -99.9 | 95.2 | -175.4 | -178.1 | -3.4 | 0 | 0 | 0 | 110.8 | T35 S39 K40 Y528 | T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.19Å; D37-S39 PolarHBondContact O-N 3.35Å; D37-S39 WeakPolarHBondContact OD1-CB 3.11Å; D37-S39 PolarHBondContact OD1-N 3.24Å; D37-S39 PolarHBondContact OD1-OG 2.81Å; D37-S39 PolarHBondContact OD2-OG 3.2Å; D37-K40 PolarHBondContact O-N 3.16Å; D37-K40 VanDerWaalsContact OD2-CD 3.31Å; D37-K40 WeakPolarHBondContact OD2-CD 3.48Å; D37-K40 WeakPolarHBondContact OD2-CE 3.35Å; D37-K40 IonicContact OD2-NZ 3.62Å; D37-K40 PolarHBondContact OD2-NZ 2.9Å; D37-Y528 PolarHBondContact N-OH 3.49Å; D37-Y528 PolarHBondContact O-OH 2.94Å; D37-Y528 VanDerWaalsContact O-OH 3.12Å | ||
| 38 | E | 98.3 | Very high | 98.7 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.7 | 179.1 | -62.4 | -62.5 | 160.2 | 0 | 0 | 114.6 | K40 Y528 | E38-K40 VanDerWaalsContact C-N 3.29Å; E38-Y528 WeakPolarHBondContact OE1-CD2 3.26Å |
| 39 | S | 98.5 | Very high | 98.7 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7.8 | 175.6 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | D37 | D37-S39 PolarHBondContact O-N 3.35Å; D37-S39 WeakPolarHBondContact OD1-CB 3.11Å; D37-S39 PolarHBondContact OD1-N 3.24Å; D37-S39 PolarHBondContact OD1-OG 2.81Å; D37-S39 PolarHBondContact OD2-OG 3.2Å |
| 40 | K | 98.2 | Very high | 98.5 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 45% | 0.452 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -121.9 | 147.8 | -176.3 | -65.9 | 179.5 | -174.5 | 161.1 | 0 | 111.8 | D37 E38 K42 N80 | D37-K40 PolarHBondContact O-N 3.16Å; D37-K40 VanDerWaalsContact OD2-CD 3.31Å; D37-K40 WeakPolarHBondContact OD2-CD 3.48Å; D37-K40 WeakPolarHBondContact OD2-CE 3.35Å; D37-K40 IonicContact OD2-NZ 3.62Å; D37-K40 PolarHBondContact OD2-NZ 2.9Å; E38-K40 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 2.75Å; K40-N80 HydrophobicContact CB-CB 3.74Å; K40-N80 HydrophobicContact CD-CB 3.95Å |
| 41 | E | 98.8 | Very high | 98.1 | Very high | 124 Ų | 124 | 45.6 Ų | 45.6 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | trans | -70.4 | 121.7 | 167.7 | -170.8 | -168.6 | 161.4 | 0 | 0 | 109.4 | K79 N80 | E41-K79 HydrophobicContact CB-CG 4.5Å; E41-K79 HydrophobicContact CG-CD 4.41Å; E41-K79 CarbonylContact O-C 3.57Å; E41-K79 VanDerWaalsContact O-CA 3.24Å; E41-K79 WeakPolarHBondContact O-CA 3.4Å; E41-K79 WeakPolarHBondContact O-CB 3.4Å; E41-K79 WeakPolarHBondContact OE1-CE 3.39Å; E41-K79 IonicContact OE1-NZ 3.29Å; E41-K79 PolarHBondContact OE1-NZ 2.63Å; E41-K79 IonicContact OE2-NZ 2.57Å; E41-N80 PolarHBondContact O-N 3.3Å | ||
| 42 | K | 98.8 | Very high | 97.9 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 153 | 178.2 | 73.3 | 92.3 | 176.5 | 175.9 | 0 | 112.5 | K40 N80 Y528 W529 P531 D533 | K40-K42 PolarHBondContact O-N 2.75Å; K42-N80 CarbonylContact C-O 3.5Å; K42-N80 WeakPolarHBondContact CA-O 3.37Å; K42-Y528 HydrophobicContact CB-CE1 3.75Å; K42-Y528 WeakPolarHBondContact CG-O 3.35Å; K42-W529 HydrophobicContact CB-CE3 4.06Å; K42-W529 HydrophobicContact CB-CZ3 3.87Å; K42-W529 HydrophobicContact CD-CE3 4.3Å; K42-W529 WeakPolarHBondContact CE-O 3.36Å; K42-W529 PolarHBondContact NZ-O 2.86Å; K42-P531 PolarHBondContact NZ-O 3.18Å; K42-D533 IonicContact NZ-OD1 3.54Å; K42-D533 IonicContact NZ-OD2 2.86Å; K42-D533 PolarHBondContact NZ-OD2 3.29Å |
| 43 | Y | 98.9 | Very high | 97 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 120.9 | 164.2 | -165.6 | -84.7 | 0 | 0 | 0 | 110.3 | C45 I70 Q74 K79 N80 V81 L82 D533 I534 | Y43-C45 HydrophobicContact CD1-CB 4.13Å; Y43-C45 HydrophobicContact CE1-CB 3.98Å; Y43-I70 HydrophobicContact CE1-CG2 4Å; Y43-Q74 HydrophobicContact CD1-CB 4.06Å; Y43-Q74 HydrophobicContact CD1-CG 3.76Å; Y43-Q74 HydrophobicContact CD2-CB 4.42Å; Y43-Q74 HydrophobicContact CD2-CG 3.93Å; Y43-Q74 HydrophobicContact CE1-CB 4.48Å; Y43-Q74 HydrophobicContact CE1-CG 3.71Å; Y43-Q74 VanDerWaalsContact CE2-CD 3.48Å; Y43-Q74 HydrophobicContact CE2-CG 3.85Å; Y43-Q74 HydrophobicContact CG-CB 4.02Å; Y43-Q74 HydrophobicContact CG-CG 3.87Å; Y43-K79 HydrophobicContact CD2-CD 4.06Å; Y43-K79 HydrophobicContact CG-CD 4.41Å; Y43-N80 PolarHBondContact N-O 2.71Å; Y43-V81 CarbonylContact O-C 3.5Å; Y43-V81 VanDerWaalsContact O-CA 3.27Å; Y43-V81 WeakPolarHBondContact O-CA 3.33Å; Y43-L82 PolarHBondContact O-N 3.5Å; Y43-D533 WeakPolarHBondContact CA-OD2 3.43Å; Y43-D533 HydrophobicContact CD1-CB 4.31Å; Y43-D533 HydrophobicContact CD2-CB 3.89Å; Y43-D533 HydrophobicContact CE1-CB 4.1Å; Y43-D533 HydrophobicContact CE2-CB 3.68Å; Y43-D533 HydrophobicContact CG-CB 4.22Å; Y43-I534 HydrophobicContact CE1-CG2 3.82Å; Y43-I534 WeakPolarHBondContact OH-CG2 3.41Å |
| 44 | Y | 99 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 104.5 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | L46 L82 P84 Y508 Y511 T512 W529 L530 V532 D533 I534 | Y44-L46 HydrophobicContact CD1-CB 4.48Å; Y44-L46 HydrophobicContact CE1-CB 4.02Å; Y44-L46 HydrophobicContact CE1-CD1 4.16Å; Y44-L82 HydrophobicContact CD1-CB 4.05Å; Y44-L82 HydrophobicContact CD1-CD2 3.89Å; Y44-L82 HydrophobicContact CD1-CG 3.78Å; Y44-L82 WeakPolarHBondContact CD1-O 3.39Å; Y44-L82 HydrophobicContact CD2-CD2 4.17Å; Y44-L82 HydrophobicContact CE1-CD2 3.81Å; Y44-L82 HydrophobicContact CE1-CG 3.83Å; Y44-L82 HydrophobicContact CE2-CD2 4.04Å; Y44-L82 HydrophobicContact CG-CB 4.42Å; Y44-L82 HydrophobicContact CG-CD2 4.1Å; Y44-L82 HydrophobicContact CG-CG 4.37Å; Y44-P84 VanDerWaalsContact CE1-CD 3.49Å; Y44-P84 HydrophobicContact CE1-CG 3.55Å; Y44-Y508 WeakPolarHBondContact CE2-O 3.42Å; Y44-Y508 PolarHBondContact OH-O 3.44Å; Y44-Y511 WeakPolarHBondContact OH-CB 3.22Å; Y44-Y511 WeakPolarHBondContact OH-CD2 3.45Å; Y44-T512 HydrophobicContact CE2-CG2 4.25Å; Y44-W529 HydrophobicContact CD2-CB 4.05Å; Y44-L530 HydrophobicContact CD2-CD2 4.17Å; Y44-L530 HydrophobicContact CE2-CD2 4Å; Y44-V532 HydrophobicContact CD2-CB 4.45Å; Y44-V532 HydrophobicContact CD2-CG2 3.82Å; Y44-V532 HydrophobicContact CE2-CG2 3.78Å; Y44-V532 HydrophobicContact CG-CG2 4.34Å; Y44-D533 PolarHBondContact N-OD2 2.75Å; Y44-D533 PolarHBondContact O-N 3.44Å; Y44-I534 PolarHBondContact O-N 3.13Å |
| 45 | C | 99 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.8 | 175.4 | -169 | 0 | 0 | 0 | 0 | 110.2 | Y43 G67 A71 L82 Q83 I534 | Y43-C45 HydrophobicContact CD1-CB 4.13Å; Y43-C45 HydrophobicContact CE1-CB 3.98Å; C45-G67 PolarHBondContact SG-O 2.88Å; C45-A71 HydrophobicContact CB-CB 4.19Å; C45-L82 PolarHBondContact N-O 3Å; C45-Q83 WeakPolarHBondContact O-CA 3.44Å; C45-I534 HydrophobicContact CB-CG2 4.25Å |
| 46 | L | 98.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.8 | -176.4 | -175.6 | 64.8 | 0 | 0 | 0 | 111.2 | Y44 P84 Y507 Y508 Y511 V532 I534 Y535 I536 | Y44-L46 HydrophobicContact CD1-CB 4.48Å; Y44-L46 HydrophobicContact CE1-CB 4.02Å; Y44-L46 HydrophobicContact CE1-CD1 4.16Å; L46-P84 HydrophobicContact CD1-CG 3.79Å; L46-Y507 HydrophobicContact CD1-CE2 4.07Å; L46-Y507 HydrophobicContact CD2-CE2 4.35Å; L46-Y508 VanDerWaalsContact CD2-CB 3.43Å; L46-Y511 HydrophobicContact CD1-CD2 4.07Å; L46-Y511 HydrophobicContact CD1-CE2 3.9Å; L46-V532 HydrophobicContact CB-CG1 3.71Å; L46-V532 HydrophobicContact CB-CG2 4.48Å; L46-V532 HydrophobicContact CD2-CG1 4.48Å; L46-V532 HydrophobicContact CD2-CG2 4Å; L46-I534 PolarHBondContact N-O 2.8Å; L46-Y535 HydrophobicContact CB-CD2 3.89Å; L46-Y535 HydrophobicContact CB-CE2 4.37Å; L46-Y535 HydrophobicContact CD2-CD2 3.7Å; L46-Y535 HydrophobicContact CD2-CE2 3.56Å; L46-Y535 HydrophobicContact CG-CD2 3.7Å; L46-Y535 HydrophobicContact CG-CE2 3.67Å; L46-Y535 CarbonylContact O-C 3.39Å; L46-Y535 WeakPolarHBondContact O-CA 2.99Å; L46-Y535 WeakPolarHBondContact O-CD2 3.46Å; L46-I536 WeakPolarHBondContact O-CD1 3.29Å; L46-I536 PolarHBondContact O-N 3.06Å |
| 47 | S | 98.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.6 | 162.5 | -73.5 | 0 | 0 | 0 | 0 | 110 | L49 N63 I536 | S47-L49 PolarHBondContact O-N 3.04Å; S47-N63 WeakPolarHBondContact CB-OD1 3.24Å; S47-N63 PolarHBondContact OG-O 2.81Å; S47-N63 PolarHBondContact OG-OD1 2.95Å; S47-N63 VanDerWaalsContact OG-OD1 3.06Å; S47-I536 CarbonylContact C-O 3.43Å; S47-I536 WeakPolarHBondContact CA-O 3.3Å |
| 48 | M | 98 | Very high | 94.5 | Very high | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 123.8 | 169.5 | -72.8 | -175.5 | -178.3 | 0 | 0 | 110 | Y64 Y535 I536 G537 H541 L546 | M48-Y64 WeakPolarHBondContact O-CE1 3.47Å; M48-Y64 PolarHBondContact O-OH 2.82Å; M48-Y535 HydrophobicContact CE-CD1 4.48Å; M48-Y535 HydrophobicContact CE-CE1 3.84Å; M48-Y535 HydrophobicContact CG-CE1 4.35Å; M48-Y535 HydrophobicContact CG-CE2 3.79Å; M48-Y535 WeakPolarHBondContact CG-OH 3.22Å; M48-I536 PolarHBondContact N-O 2.93Å; M48-G537 WeakPolarHBondContact SD-CA 3.14Å; M48-H541 HydrophobicContact CE-CB 3.78Å; M48-H541 HydrophobicContact SD-CB 3.92Å; M48-H541 PolarHBondContact SD-CD2 3.28Å; M48-L546 HydrophobicContact CE-CD1 4.24Å; M48-L546 HydrophobicContact CE-CD2 4.01Å; M48-L546 HydrophobicContact CE-CG 4.05Å |
| 49 | L | 97.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 146.9 | -176.8 | 78.9 | 176.9 | 0 | 0 | 0 | 111.6 | S47 D88 T135 Y507 | S47-L49 PolarHBondContact O-N 3.04Å; L49-D88 HydrophobicContact CD1-CB 4.05Å; L49-D88 HydrophobicContact CD2-CB 4.07Å; L49-D88 HydrophobicContact CG-CB 3.84Å; L49-T135 HydrophobicContact CD1-CG2 4.37Å; L49-Y507 HydrophobicContact CB-CD2 4.32Å; L49-Y507 HydrophobicContact CB-CE2 3.91Å; L49-Y507 HydrophobicContact CD1-CD2 3.68Å; L49-Y507 HydrophobicContact CD1-CE2 4.08Å; L49-Y507 HydrophobicContact CD1-CG 4.07Å; L49-Y507 HydrophobicContact CD2-CD1 4.23Å; L49-Y507 HydrophobicContact CD2-CD2 4Å; L49-Y507 HydrophobicContact CD2-CE1 3.94Å; L49-Y507 HydrophobicContact CD2-CE2 3.69Å; L49-Y507 HydrophobicContact CD2-CG 4.25Å; L49-Y507 HydrophobicContact CG-CD2 4.2Å; L49-Y507 HydrophobicContact CG-CE2 4.09Å |
| 50 | P | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 148.1 | -179.9 | 26.8 | -33.3 | 0 | 0 | 0 | 113.3 | Y64 G86 W87 D88 M116 | P50-Y64 WeakPolarHBondContact CA-OH 3.43Å; P50-Y64 VanDerWaalsContact CB-OH 3.28Å; P50-Y64 WeakPolarHBondContact CB-OH 3.29Å; P50-Y64 WeakPolarHBondContact CD-OH 3.27Å; P50-G86 VanDerWaalsContact CD-O 3.23Å; P50-G86 WeakPolarHBondContact CD-O 3.38Å; P50-G86 WeakPolarHBondContact CG-O 3.2Å; P50-W87 HydrophobicContact CG-CE3 3.88Å; P50-W87 HydrophobicContact CG-CZ3 3.93Å; P50-D88 PolarHBondContact O-N 2.93Å; P50-M116 HydrophobicContact CB-CE 3.97Å |
| 51 | Y | 91.3 | Very high | 93.7 | Very high | 56 Ų | 56 | 26.6 Ų | 26.6 | 22% | 0.22 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 130.3 | 151.4 | -67.6 | -71.1 | 0 | 0 | 0 | 109.5 | S53 D88 M116 | Y51-S53 PolarHBondContact O-N 2.87Å; Y51-D88 WeakPolarHBondContact CA-O 3.39Å; Y51-D88 HydrophobicContact CD1-CB 3.98Å; Y51-D88 WeakPolarHBondContact CD1-O 3.35Å; Y51-D88 HydrophobicContact CE1-CB 3.89Å; Y51-D88 WeakPolarHBondContact CE1-OD2 3.47Å; Y51-D88 PolarHBondContact OH-OD2 3.37Å; Y51-M116 WeakPolarHBondContact O-CE 3.48Å |
| 52 | P | 93.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 5% | 0.045 | 10% | 0.101 | C | C | . | . | trans | -76.1 | 66 | 178.5 | 32.6 | -34.6 | 0 | 0 | 0 | 110.9 | G54 W87 D88 A89 W108 T109 N112 I113 | P52-G54 VanDerWaalsContact C-N 3.28Å; P52-G54 PolarHBondContact O-N 3.35Å; P52-W87 HydrophobicContact CB-CE3 4.22Å; P52-D88 WeakPolarHBondContact CD-O 3.43Å; P52-A89 HydrophobicContact CG-CB 4.03Å; P52-W108 WeakPolarHBondContact O-CZ3 3.4Å; P52-T109 HydrophobicContact CG-CG2 3.78Å; P52-N112 HydrophobicContact CB-CB 4.22Å; P52-N112 VanDerWaalsContact O-CB 3.26Å; P52-N112 WeakPolarHBondContact O-CB 3.46Å; P52-N112 PolarHBondContact O-ND2 2.96Å; P52-I113 HydrophobicContact CB-CD1 4.5Å; P52-I113 HydrophobicContact CB-CG1 3.62Å; P52-I113 HydrophobicContact CG-CG1 4.17Å | ||
| 53 | S | 81.6 | Confident | 93.5 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | trans | -87.7 | 8.6 | -166.4 | 81.2 | 0 | 0 | 0 | 0 | 114.4 | Y51 K630 | Y51-S53 PolarHBondContact O-N 2.87Å; S53-K630 VanDerWaalsContact CB-NZ 3.3Å; S53-K630 PolarHBondContact O-NZ 2.97Å; S53-K630 PolarHBondContact OG-NZ 3.47Å; S53-K630 VanDerWaalsContact OG-NZ 3.14Å | ||
| 54 | G | 83.7 | Confident | 93.5 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 12% | 0.124 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 122.6 | -64.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P52 N112 Y115 M116 | P52-G54 VanDerWaalsContact C-N 3.28Å; P52-G54 PolarHBondContact O-N 3.35Å; G54-N112 VanDerWaalsContact CA-CG 3.43Å; G54-N112 WeakPolarHBondContact CA-OD1 3.16Å; G54-N112 PolarHBondContact N-ND2 2.78Å; G54-Y115 VanDerWaalsContact O-CD1 3.3Å; G54-Y115 WeakPolarHBondContact O-CD1 3.24Å; G54-M116 WeakPolarHBondContact O-CG 3.43Å |
| 55 | R | 87.4 | Confident | 93.4 | Very high | 124 Ų | 124 | 18.8 Ų | 18.8 | 47% | 0.468 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -141.2 | 153.5 | -172.4 | -41.6 | -177.7 | 94.8 | -170.2 | 6.7 | 110.1 | Y115 D637 | R55-Y115 HydrophobicContact CB-CE1 4.27Å; R55-Y115 HydrophobicContact CG-CD1 4.3Å; R55-Y115 HydrophobicContact CG-CE1 3.93Å; R55-Y115 PolarHBondContact NE-OH 3.45Å; R55-Y115 PolarHBondContact NH2-OH 3.24Å; R55-D637 IonicContact CZ-OD2 3.34Å; R55-D637 IonicContact NE-OD2 3.33Å; R55-D637 PolarHBondContact NE-OD2 3.2Å; R55-D637 IonicContact NH1-OD2 2.88Å; R55-D637 PolarHBondContact NH1-OD2 2.93Å; R55-D637 IonicContact NH2-OD2 3.6Å; R55-D637 PolarHBondContact NH2-OD2 3.34Å |
| 56 | L | 91.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | trans | -64.9 | 159.2 | 167.7 | -62.9 | 179.2 | 0 | 0 | 0 | 110.6 | H60 Y64 M116 Q119 L120 L123 P638 | L56-H60 HydrophobicContact CB-CB 4.33Å; L56-H60 HydrophobicContact CD2-CB 3.77Å; L56-Y64 HydrophobicContact CD2-CE2 4.21Å; L56-M116 HydrophobicContact CD2-CE 3.63Å; L56-M116 HydrophobicContact CG-CE 4.45Å; L56-Q119 HydrophobicContact CD1-CB 3.57Å; L56-Q119 HydrophobicContact CG-CB 4.02Å; L56-L120 HydrophobicContact CD1-CD2 3.67Å; L56-L120 HydrophobicContact CD1-CG 3.98Å; L56-L120 HydrophobicContact CD2-CD2 4.01Å; L56-L120 HydrophobicContact CD2-CG 4.37Å; L56-L120 HydrophobicContact CG-CD2 4.5Å; L56-L123 HydrophobicContact CD1-CD1 3.92Å; L56-P638 HydrophobicContact CB-CG 3.81Å; L56-P638 VanDerWaalsContact O-CD 3.32Å; L56-P638 WeakPolarHBondContact O-CD 3.32Å | ||
| 57 | H | 87.2 | Confident | 93.4 | Very high | 72 Ų | 72 | 18.8 Ų | 18.8 | 33% | 0.333 | 9% | 0.093 | S | C | . | . | trans | -133.3 | 166.9 | 170.7 | 56.4 | 57.9 | 0 | 0 | 0 | 107.9 | G59 H60 V61 | H57-G59 WeakPolarHBondContact ND1-CA 3.38Å; H57-G59 PolarHBondContact ND1-N 2.93Å; H57-G59 VanDerWaalsContact ND1-N 3.18Å; H57-G59 PolarHBondContact O-N 2.86Å; H57-G59 VanDerWaalsContact O-N 3.07Å; H57-H60 AromaticContact CD2-CE1 3.37Å; H57-H60 PolarHBondContact CD2-CE1 3.2Å; H57-H60 AromaticContact CD2-ND1 3.38Å; H57-H60 PolarHBondContact CD2-ND1 2.85Å; H57-H60 AromaticContact CE1-CD2 3.91Å; H57-H60 AromaticContact CE1-CE1 3.49Å; H57-H60 PolarHBondContact CE1-CE1 3.03Å; H57-H60 VanDerWaalsContact CE1-CE1 3.49Å; H57-H60 AromaticContact CE1-CG 3.63Å; H57-H60 PolarHBondContact CE1-N 3.23Å; H57-H60 AromaticContact CE1-ND1 3.36Å; H57-H60 PolarHBondContact CE1-ND1 3.06Å; H57-H60 AromaticContact CE1-NE2 3.83Å; H57-H60 AromaticContact CG-CE1 3.93Å; H57-H60 AromaticContact CG-ND1 3.45Å; H57-H60 PolarHBondContact N-ND1 2.89Å; H57-H60 AromaticContact ND1-CE1 4Å; H57-H60 AromaticContact ND1-CG 3.79Å; H57-H60 PolarHBondContact ND1-N 3.13Å; H57-H60 VanDerWaalsContact ND1-N 3.19Å; H57-H60 AromaticContact ND1-ND1 3.44Å; H57-H60 PolarHBondContact ND1-ND1 3.29Å; H57-H60 AromaticContact NE2-CE1 3.08Å; H57-H60 PolarHBondContact NE2-CE1 2.78Å; H57-H60 AromaticContact NE2-ND1 3.34Å; H57-H60 PolarHBondContact NE2-ND1 2.91Å; H57-H60 AromaticContact NE2-NE2 3.63Å; H57-H60 WeakPolarHBondContact O-CA 3.26Å; H57-H60 VanDerWaalsContact O-CB 3.29Å; H57-H60 WeakPolarHBondContact O-CB 3.43Å; H57-H60 PolarHBondContact O-N 3.41Å; H57-V61 PolarHBondContact O-N 3.44Å | ||
| 58 | M | 90.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -27.1 | -175.5 | -64.3 | -52.7 | -48.2 | 0 | 0 | 114.6 | V61 R62 V577 M628 I636 P638 V650 M654 W666 | M58-V61 HydrophobicContact CE-CB 3.97Å; M58-V61 HydrophobicContact CE-CG1 4.05Å; M58-V61 HydrophobicContact CE-CG2 4.36Å; M58-V61 PolarHBondContact O-N 2.84Å; M58-V61 HydrophobicContact SD-CG2 4.41Å; M58-R62 PolarHBondContact O-N 3.15Å; M58-V577 HydrophobicContact CB-CG1 3.86Å; M58-M628 HydrophobicContact CB-CE 3.96Å; M58-M628 HydrophobicContact CB-SD 3.73Å; M58-M628 HydrophobicContact CG-CE 3.95Å; M58-M628 HydrophobicContact CG-SD 4.08Å; M58-I636 HydrophobicContact CG-CB 3.99Å; M58-I636 HydrophobicContact CG-CG2 4.28Å; M58-P638 HydrophobicContact SD-CB 3.82Å; M58-V650 HydrophobicContact CE-CG1 3.95Å; M58-M654 HydrophobicContact CE-CE 4.34Å; M58-M654 HydrophobicContact CE-CG 3.69Å; M58-M654 HydrophobicContact CE-SD 3.32Å; M58-M654 WeakPolarHBondContact CE-SD 2.84Å; M58-W666 HydrophobicContact CB-CE3 4.35Å; M58-W666 HydrophobicContact CE-CE3 3.81Å; M58-W666 HydrophobicContact CE-CH2 3.71Å; M58-W666 HydrophobicContact CE-CZ3 3.11Å; M58-W666 HydrophobicContact CG-CD2 4.22Å; M58-W666 HydrophobicContact CG-CE3 3.8Å; M58-W666 HydrophobicContact CG-CH2 4.35Å; M58-W666 HydrophobicContact CG-CZ3 3.91Å; M58-W666 HydrophobicContact SD-CE3 4.23Å; M58-W666 HydrophobicContact SD-CH2 3.83Å; M58-W666 HydrophobicContact SD-CZ3 3.7Å |
| 59 | G | 90.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 17.9 Ų | 17.9 | 20% | 0.196 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | H57 R62 N63 | H57-G59 WeakPolarHBondContact ND1-CA 3.38Å; H57-G59 PolarHBondContact ND1-N 2.93Å; H57-G59 VanDerWaalsContact ND1-N 3.18Å; H57-G59 PolarHBondContact O-N 2.86Å; H57-G59 VanDerWaalsContact O-N 3.07Å; G59-R62 PolarHBondContact O-N 2.87Å; G59-N63 PolarHBondContact O-N 3.28Å; G59-N63 VanDerWaalsContact O-N 3.16Å |
| 60 | H | 92.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 17.2 Ų | 17.2 | 11% | 0.111 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.4 | -48.6 | 173.8 | -67.8 | 128.1 | 0 | 0 | 0 | 110.5 | L56 H57 R62 N63 Y64 | L56-H60 HydrophobicContact CB-CB 4.33Å; L56-H60 HydrophobicContact CD2-CB 3.77Å; H57-H60 AromaticContact CD2-CE1 3.37Å; H57-H60 PolarHBondContact CD2-CE1 3.2Å; H57-H60 AromaticContact CD2-ND1 3.38Å; H57-H60 PolarHBondContact CD2-ND1 2.85Å; H57-H60 AromaticContact CE1-CD2 3.91Å; H57-H60 AromaticContact CE1-CE1 3.49Å; H57-H60 PolarHBondContact CE1-CE1 3.03Å; H57-H60 VanDerWaalsContact CE1-CE1 3.49Å; H57-H60 AromaticContact CE1-CG 3.63Å; H57-H60 PolarHBondContact CE1-N 3.23Å; H57-H60 AromaticContact CE1-ND1 3.36Å; H57-H60 PolarHBondContact CE1-ND1 3.06Å; H57-H60 AromaticContact CE1-NE2 3.83Å; H57-H60 AromaticContact CG-CE1 3.93Å; H57-H60 AromaticContact CG-ND1 3.45Å; H57-H60 PolarHBondContact N-ND1 2.89Å; H57-H60 AromaticContact ND1-CE1 4Å; H57-H60 AromaticContact ND1-CG 3.79Å; H57-H60 PolarHBondContact ND1-N 3.13Å; H57-H60 VanDerWaalsContact ND1-N 3.19Å; H57-H60 AromaticContact ND1-ND1 3.44Å; H57-H60 PolarHBondContact ND1-ND1 3.29Å; H57-H60 AromaticContact NE2-CE1 3.08Å; H57-H60 PolarHBondContact NE2-CE1 2.78Å; H57-H60 AromaticContact NE2-ND1 3.34Å; H57-H60 PolarHBondContact NE2-ND1 2.91Å; H57-H60 AromaticContact NE2-NE2 3.63Å; H57-H60 WeakPolarHBondContact O-CA 3.26Å; H57-H60 VanDerWaalsContact O-CB 3.29Å; H57-H60 WeakPolarHBondContact O-CB 3.43Å; H57-H60 PolarHBondContact O-N 3.41Å; H60-R62 PolarHBondContact O-N 2.93Å; H60-N63 PolarHBondContact O-N 2.95Å; H60-Y64 HydrophobicContact CB-CD2 4.05Å; H60-Y64 HydrophobicContact CB-CE2 3.63Å; H60-Y64 PolarHBondContact CD2-OH 2.84Å; H60-Y64 WeakPolarHBondContact O-CB 3.43Å; H60-Y64 WeakPolarHBondContact O-CD2 3.23Å; H60-Y64 VanDerWaalsContact O-CG 3.25Å; H60-Y64 PolarHBondContact O-N 3.31Å |
| 61 | V | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 111 | H57 M58 T65 L123 P638 V650 M654 | H57-V61 PolarHBondContact O-N 3.44Å; M58-V61 HydrophobicContact CE-CB 3.97Å; M58-V61 HydrophobicContact CE-CG1 4.05Å; M58-V61 HydrophobicContact CE-CG2 4.36Å; M58-V61 PolarHBondContact O-N 2.84Å; M58-V61 HydrophobicContact SD-CG2 4.41Å; V61-T65 WeakPolarHBondContact O-CB 3.27Å; V61-T65 PolarHBondContact O-N 3.27Å; V61-T65 PolarHBondContact O-OG1 3.4Å; V61-L123 HydrophobicContact CG1-CD1 4.35Å; V61-L123 HydrophobicContact CG1-CD2 4.17Å; V61-L123 HydrophobicContact CG2-CD1 3.77Å; V61-P638 HydrophobicContact CG2-CB 3.55Å; V61-P638 HydrophobicContact CG2-CG 3.73Å; V61-V650 HydrophobicContact CG1-CG1 4.14Å; V61-M654 HydrophobicContact CG1-CG 4.25Å |
| 62 | R | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.3 | -55 | 175.7 | -160.9 | 172 | -170.7 | -164.7 | 1.5 | 111.8 | M58 G59 H60 Y64 T65 I66 G575 V577 M654 M655 P659 M662 L664 | M58-R62 PolarHBondContact O-N 3.15Å; G59-R62 PolarHBondContact O-N 2.87Å; H60-R62 PolarHBondContact O-N 2.93Å; R62-Y64 PolarHBondContact O-N 3.03Å; R62-T65 PolarHBondContact O-N 3.09Å; R62-I66 HydrophobicContact CG-CD1 4.09Å; R62-I66 WeakPolarHBondContact O-CD1 3.33Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 2.93Å; R62-I66 VanDerWaalsContact O-N 3.08Å; R62-G575 VanDerWaalsContact NH1-C 3.34Å; R62-G575 PolarHBondContact NH1-O 3.4Å; R62-V577 HydrophobicContact CB-CG2 4Å; R62-V577 HydrophobicContact CG-CG2 4.43Å; R62-M654 HydrophobicContact CB-CE 3.38Å; R62-M654 HydrophobicContact CG-CE 3.5Å; R62-M655 HydrophobicContact CG-CE 4.32Å; R62-P659 PolarHBondContact NH2-O 3.08Å; R62-M662 VanDerWaalsContact CZ-O 3.22Å; R62-M662 PolarHBondContact NH1-O 2.87Å; R62-M662 PolarHBondContact NH2-O 2.88Å; R62-L664 VanDerWaalsContact CZ-CB 3.46Å |
| 63 | N | 96.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 15.1 Ų | 15.1 | 5% | 0.053 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.7 | -51 | -177.6 | -173.4 | -11.5 | 0 | 0 | 0 | 110.8 | S47 G59 H60 T65 I66 G67 I536 | S47-N63 WeakPolarHBondContact CB-OD1 3.24Å; S47-N63 PolarHBondContact OG-O 2.81Å; S47-N63 PolarHBondContact OG-OD1 2.95Å; S47-N63 VanDerWaalsContact OG-OD1 3.06Å; G59-N63 PolarHBondContact O-N 3.28Å; G59-N63 VanDerWaalsContact O-N 3.16Å; H60-N63 PolarHBondContact O-N 2.95Å; N63-T65 PolarHBondContact O-N 3.1Å; N63-I66 WeakPolarHBondContact O-CB 3.2Å; N63-I66 PolarHBondContact O-N 2.77Å; N63-G67 PolarHBondContact O-N 3.3Å; N63-I536 VanDerWaalsContact OD1-CG2 3.26Å; N63-I536 WeakPolarHBondContact OD1-CG2 3.49Å; N63-I536 PolarHBondContact OD1-O 2.96Å |
| 64 | Y | 98.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -73.8 | -29 | -175.1 | -55 | -30.7 | 0 | 0 | 0 | 113.5 | M48 P50 L56 H60 R62 D68 L120 F125 Y127 | M48-Y64 WeakPolarHBondContact O-CE1 3.47Å; M48-Y64 PolarHBondContact O-OH 2.82Å; P50-Y64 WeakPolarHBondContact CA-OH 3.43Å; P50-Y64 VanDerWaalsContact CB-OH 3.28Å; P50-Y64 WeakPolarHBondContact CB-OH 3.29Å; P50-Y64 WeakPolarHBondContact CD-OH 3.27Å; L56-Y64 HydrophobicContact CD2-CE2 4.21Å; H60-Y64 HydrophobicContact CB-CD2 4.05Å; H60-Y64 HydrophobicContact CB-CE2 3.63Å; H60-Y64 PolarHBondContact CD2-OH 2.84Å; H60-Y64 WeakPolarHBondContact O-CB 3.43Å; H60-Y64 WeakPolarHBondContact O-CD2 3.23Å; H60-Y64 VanDerWaalsContact O-CG 3.25Å; H60-Y64 PolarHBondContact O-N 3.31Å; R62-Y64 PolarHBondContact O-N 3.03Å; Y64-D68 VanDerWaalsContact O-CB 3.29Å; Y64-D68 WeakPolarHBondContact O-CB 3.26Å; Y64-D68 PolarHBondContact O-N 3.25Å; Y64-L120 HydrophobicContact CD2-CD2 3.45Å; Y64-L120 VanDerWaalsContact CD2-CD2 3.45Å; Y64-L120 HydrophobicContact CE2-CD2 3.85Å; Y64-L120 HydrophobicContact CG-CD2 4.34Å; Y64-F125 HydrophobicContact CD2-CE2 4.31Å; Y64-F125 HydrophobicContact CG-CE2 4.39Å; Y64-Y127 WeakPolarHBondContact CB-OH 3.44Å; Y64-Y127 WeakPolarHBondContact CD1-OH 3.38Å |
| 65 | T | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 171.3 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | V61 R62 N63 D68 V69 R651 M655 | V61-T65 WeakPolarHBondContact O-CB 3.27Å; V61-T65 PolarHBondContact O-N 3.27Å; V61-T65 PolarHBondContact O-OG1 3.4Å; R62-T65 PolarHBondContact O-N 3.09Å; N63-T65 PolarHBondContact O-N 3.1Å; T65-D68 PolarHBondContact O-N 2.82Å; T65-V69 HydrophobicContact CG2-CG2 4.32Å; T65-V69 WeakPolarHBondContact O-CB 3.27Å; T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 3.39Å; T65-R651 HydrophobicContact CG2-CB 3.76Å; T65-R651 HydrophobicContact CG2-CG 3.94Å; T65-M655 HydrophobicContact CG2-CE 3.88Å; T65-M655 HydrophobicContact CG2-CG 3.63Å; T65-M655 HydrophobicContact CG2-SD 3.87Å |
| 66 | I | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 174.5 | -68.8 | 162.5 | 0 | 0 | 0 | 110.1 | R62 N63 D68 V69 I70 I536 L572 Q574 M655 A660 F730 | R62-I66 HydrophobicContact CG-CD1 4.09Å; R62-I66 WeakPolarHBondContact O-CD1 3.33Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 2.93Å; R62-I66 VanDerWaalsContact O-N 3.08Å; N63-I66 WeakPolarHBondContact O-CB 3.2Å; N63-I66 PolarHBondContact O-N 2.77Å; I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 3.48Å; I66-V69 PolarHBondContact O-N 3.36Å; I66-I70 HydrophobicContact CG2-CD1 3.98Å; I66-I70 WeakPolarHBondContact O-CG1 3.42Å; I66-I70 PolarHBondContact O-N 2.88Å; I66-I70 VanDerWaalsContact O-N 3.12Å; I66-I536 HydrophobicContact CB-CG2 4.24Å; I66-I536 HydrophobicContact CG2-CG1 4.12Å; I66-I536 HydrophobicContact CG2-CG2 3.87Å; I66-L572 HydrophobicContact CG2-CD2 3.51Å; I66-Q574 HydrophobicContact CD1-CB 3.88Å; I66-M655 HydrophobicContact CG1-CE 3.76Å; I66-M655 HydrophobicContact CG1-SD 3.69Å; I66-A660 HydrophobicContact CD1-CB 3.92Å; I66-F730 HydrophobicContact CB-CE2 4.42Å; I66-F730 HydrophobicContact CG1-CD2 4.49Å; I66-F730 HydrophobicContact CG1-CE2 4.1Å; I66-F730 HydrophobicContact CG2-CE2 3.78Å; I66-F730 HydrophobicContact CG2-CZ 4.06Å |
| 67 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55.7 | -46.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C45 N63 I70 A71 Q83 | C45-G67 PolarHBondContact SG-O 2.88Å; N63-G67 PolarHBondContact O-N 3.3Å; G67-I70 PolarHBondContact O-N 3.36Å; G67-A71 WeakPolarHBondContact O-CB 3.4Å; G67-A71 PolarHBondContact O-N 3.45Å; G67-Q83 PolarHBondContact O-OE1 2.93Å |
| 68 | D | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73 | -33.6 | -176.4 | -166.3 | 54.7 | 0 | 0 | 0 | 113.5 | Y64 T65 I66 I70 A71 R72 Q83 F125 G126 R651 | Y64-D68 VanDerWaalsContact O-CB 3.29Å; Y64-D68 WeakPolarHBondContact O-CB 3.26Å; Y64-D68 PolarHBondContact O-N 3.25Å; T65-D68 PolarHBondContact O-N 2.82Å; I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 3.48Å; D68-I70 VanDerWaalsContact C-N 3.33Å; D68-A71 PolarHBondContact O-N 3.35Å; D68-R72 WeakPolarHBondContact O-CB 3.4Å; D68-R72 VanDerWaalsContact O-CG 3.3Å; D68-R72 WeakPolarHBondContact O-CG 3.46Å; D68-R72 PolarHBondContact O-N 2.74Å; D68-R72 IonicContact OD1-NE 2.79Å; D68-R72 PolarHBondContact OD1-NE 2.57Å; D68-R72 WeakPolarHBondContact OD2-CD 3.48Å; D68-R72 IonicContact OD2-CZ 3.19Å; D68-R72 IonicContact OD2-NE 3.71Å; D68-R72 PolarHBondContact OD2-NE 2.97Å; D68-Q83 VanDerWaalsContact N-OE1 3.09Å; D68-Q83 PolarHBondContact OD1-NE2 3.09Å; D68-F125 HydrophobicContact CB-CD1 3.68Å; D68-F125 HydrophobicContact CB-CE1 4.45Å; D68-G126 PolarHBondContact OD1-N 2.91Å; D68-R651 IonicContact OD2-CZ 3.86Å; D68-R651 IonicContact OD2-NH1 3.5Å; D68-R651 PolarHBondContact OD2-NH1 3.01Å; D68-R651 IonicContact OD2-NH2 2.71Å; D68-R651 PolarHBondContact OD2-NH2 3.33Å |
| 69 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.1 | -49.3 | 169.6 | 164.9 | 0 | 0 | 0 | 0 | 109.7 | T65 I66 Y73 M655 F730 P771 F772 | T65-V69 HydrophobicContact CG2-CG2 4.32Å; T65-V69 WeakPolarHBondContact O-CB 3.27Å; T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 3.39Å; I66-V69 PolarHBondContact O-N 3.36Å; V69-Y73 VanDerWaalsContact O-CB 3.22Å; V69-Y73 WeakPolarHBondContact O-CB 3.45Å; V69-Y73 PolarHBondContact O-N 3.38Å; V69-M655 HydrophobicContact CG2-CG 4.15Å; V69-M655 HydrophobicContact CG2-SD 4.36Å; V69-F730 HydrophobicContact CG1-CD1 3.82Å; V69-F730 HydrophobicContact CG1-CE1 3.8Å; V69-P771 HydrophobicContact CB-CB 4.27Å; V69-P771 HydrophobicContact CG1-CB 3.96Å; V69-P771 HydrophobicContact CG2-CB 4.44Å; V69-P771 VanDerWaalsContact CG2-O 3.23Å; V69-P771 WeakPolarHBondContact CG2-O 3.48Å; V69-P771 WeakPolarHBondContact O-CB 3.45Å; V69-F772 HydrophobicContact CB-CD1 4.49Å; V69-F772 HydrophobicContact CB-CE1 4.44Å; V69-F772 HydrophobicContact CG1-CD1 4.06Å; V69-F772 HydrophobicContact CG1-CE1 3.59Å; V69-F772 HydrophobicContact CG1-CZ 4.17Å; V69-F772 HydrophobicContact CG2-CD1 3.51Å; V69-F772 HydrophobicContact CG2-CE1 3.89Å; V69-F772 HydrophobicContact CG2-CG 4.35Å |
| 70 | I | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | -178.6 | -62.8 | 165.4 | 0 | 0 | 0 | 110.5 | Y43 I66 G67 D68 Y73 Q74 I534 I536 L572 F730 | Y43-I70 HydrophobicContact CE1-CG2 4Å; I66-I70 HydrophobicContact CG2-CD1 3.98Å; I66-I70 WeakPolarHBondContact O-CG1 3.42Å; I66-I70 PolarHBondContact O-N 2.88Å; I66-I70 VanDerWaalsContact O-N 3.12Å; G67-I70 PolarHBondContact O-N 3.36Å; D68-I70 VanDerWaalsContact C-N 3.33Å; I70-Y73 PolarHBondContact O-N 2.82Å; I70-Q74 HydrophobicContact CG2-CG 4.1Å; I70-Q74 WeakPolarHBondContact O-CB 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.22Å; I70-Q74 PolarHBondContact O-N 2.73Å; I70-I534 HydrophobicContact CD1-CD1 3.56Å; I70-I534 HydrophobicContact CG2-CG2 4.08Å; I70-I536 HydrophobicContact CD1-CD1 4.49Å; I70-I536 HydrophobicContact CD1-CG1 4.5Å; I70-L572 HydrophobicContact CD1-CD2 4.39Å; I70-F730 HydrophobicContact CD1-CZ 4.1Å; I70-F730 HydrophobicContact CG1-CE1 4.28Å; I70-F730 HydrophobicContact CG1-CZ 4.05Å |
| 71 | A | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 3% | 0.033 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C45 G67 D68 Q74 R75 V81 Q83 | C45-A71 HydrophobicContact CB-CB 4.19Å; G67-A71 WeakPolarHBondContact O-CB 3.4Å; G67-A71 PolarHBondContact O-N 3.45Å; D68-A71 PolarHBondContact O-N 3.35Å; A71-Q74 PolarHBondContact O-N 3.47Å; A71-R75 WeakPolarHBondContact O-CB 3.32Å; A71-R75 PolarHBondContact O-N 2.92Å; A71-V81 HydrophobicContact CB-CG1 3.89Å; A71-Q83 HydrophobicContact CB-CB 3.97Å; A71-Q83 VanDerWaalsContact CB-CD 3.47Å; A71-Q83 HydrophobicContact CB-CG 4.1Å; A71-Q83 VanDerWaalsContact CB-NE2 3.31Å |
| 72 | R | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 177.7 | -71.2 | 173 | 175.1 | -82.5 | 1.6 | 111.8 | D68 R75 M76 G124 P771 P774 D791 | D68-R72 WeakPolarHBondContact O-CB 3.4Å; D68-R72 VanDerWaalsContact O-CG 3.3Å; D68-R72 WeakPolarHBondContact O-CG 3.46Å; D68-R72 PolarHBondContact O-N 2.74Å; D68-R72 IonicContact OD1-NE 2.79Å; D68-R72 PolarHBondContact OD1-NE 2.57Å; D68-R72 WeakPolarHBondContact OD2-CD 3.48Å; D68-R72 IonicContact OD2-CZ 3.19Å; D68-R72 IonicContact OD2-NE 3.71Å; D68-R72 PolarHBondContact OD2-NE 2.97Å; R72-R75 PolarHBondContact O-N 2.97Å; R72-M76 VanDerWaalsContact O-CG 3.31Å; R72-M76 WeakPolarHBondContact O-CG 3.46Å; R72-M76 PolarHBondContact O-N 3.21Å; R72-G124 PolarHBondContact NH2-O 2.98Å; R72-P771 HydrophobicContact CB-CB 4.22Å; R72-P771 HydrophobicContact CB-CG 4.46Å; R72-P774 VanDerWaalsContact NH1-CB 3.34Å; R72-D791 IonicContact CZ-OD1 2.77Å; R72-D791 IonicContact NH1-OD1 3.87Å; R72-D791 PolarHBondContact NH1-OD1 2.87Å |
| 73 | Y | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 13.9 Ų | 13.9 | 5% | 0.051 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 174.4 | 166.8 | -108.1 | 0 | 0 | 0 | 112 | V69 I70 R75 M76 L77 I724 W795 | V69-Y73 VanDerWaalsContact O-CB 3.22Å; V69-Y73 WeakPolarHBondContact O-CB 3.45Å; V69-Y73 PolarHBondContact O-N 3.38Å; I70-Y73 PolarHBondContact O-N 2.82Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.76Å; Y73-M76 PolarHBondContact O-N 3.04Å; Y73-M76 VanDerWaalsContact O-N 3.15Å; Y73-L77 HydrophobicContact CD1-CD1 4.35Å; Y73-L77 HydrophobicContact CE1-CD1 3.7Å; Y73-L77 HydrophobicContact CE1-CG 4.46Å; Y73-L77 HydrophobicContact CE2-CD1 4.28Å; Y73-L77 HydrophobicContact CE2-CD2 4.27Å; Y73-L77 HydrophobicContact CE2-CG 4.28Å; Y73-L77 PolarHBondContact O-N 3.35Å; Y73-L77 VanDerWaalsContact O-N 3.11Å; Y73-I724 HydrophobicContact CD1-CG2 3.64Å; Y73-I724 HydrophobicContact CD2-CG2 3.91Å; Y73-I724 HydrophobicContact CE1-CG2 4.08Å; Y73-I724 HydrophobicContact CE2-CG2 4.33Å; Y73-I724 HydrophobicContact CG-CG2 3.54Å; Y73-W795 AromaticContact CD2-CD2 3.75Å; Y73-W795 HydrophobicContact CD2-CD2 3.75Å; Y73-W795 AromaticContact CD2-CE2 3.86Å; Y73-W795 AromaticContact CD2-CE3 3.74Å; Y73-W795 HydrophobicContact CD2-CE3 3.74Å; Y73-W795 HydrophobicContact CD2-CG 4.48Å; Y73-W795 AromaticContact CD2-CH2 3.91Å; Y73-W795 HydrophobicContact CD2-CH2 3.91Å; Y73-W795 AromaticContact CD2-CZ2 3.94Å; Y73-W795 HydrophobicContact CD2-CZ2 3.94Å; Y73-W795 AromaticContact CD2-CZ3 3.83Å; Y73-W795 HydrophobicContact CD2-CZ3 3.83Å; Y73-W795 AromaticContact CE2-CD2 3.75Å; Y73-W795 HydrophobicContact CE2-CD2 3.75Å; Y73-W795 AromaticContact CE2-CE2 3.56Å; Y73-W795 HydrophobicContact CE2-CE3 4.23Å; Y73-W795 HydrophobicContact CE2-CG 4.18Å; Y73-W795 HydrophobicContact CE2-CH2 4.33Å; Y73-W795 AromaticContact CE2-CZ2 3.86Å; Y73-W795 HydrophobicContact CE2-CZ2 3.86Å; Y73-W795 AromaticContact CE2-NE1 3.83Å |
| 74 | Q | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 13.5 Ų | 13.5 | 7% | 0.07 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.2 | -34.9 | -179.9 | -66.4 | -70.3 | -11.7 | 0 | 0 | 112.1 | Y43 I70 A71 L77 K79 V81 | Y43-Q74 HydrophobicContact CD1-CB 4.06Å; Y43-Q74 HydrophobicContact CD1-CG 3.76Å; Y43-Q74 HydrophobicContact CD2-CB 4.42Å; Y43-Q74 HydrophobicContact CD2-CG 3.93Å; Y43-Q74 HydrophobicContact CE1-CB 4.48Å; Y43-Q74 HydrophobicContact CE1-CG 3.71Å; Y43-Q74 VanDerWaalsContact CE2-CD 3.48Å; Y43-Q74 HydrophobicContact CE2-CG 3.85Å; Y43-Q74 HydrophobicContact CG-CB 4.02Å; Y43-Q74 HydrophobicContact CG-CG 3.87Å; I70-Q74 HydrophobicContact CG2-CG 4.1Å; I70-Q74 WeakPolarHBondContact O-CB 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.22Å; I70-Q74 PolarHBondContact O-N 2.73Å; A71-Q74 PolarHBondContact O-N 3.47Å; Q74-L77 WeakPolarHBondContact O-CB 3.45Å; Q74-L77 PolarHBondContact O-N 2.83Å; Q74-K79 WeakPolarHBondContact O-CB 3.43Å; Q74-K79 PolarHBondContact O-N 3.29Å; Q74-K79 VanDerWaalsContact OE1-CE 3.3Å; Q74-V81 HydrophobicContact CB-CG2 3.87Å |
| 75 | R | 98.9 | Very high | 98.9 | Very high | 36 Ų | 36 | 13.3 Ų | 13.3 | 14% | 0.136 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 173.5 | 175.7 | 174.4 | -75.6 | -104.7 | 0.5 | 111.4 | T31 A71 R72 Y73 L77 G78 V81 D791 | T31-R75 PolarHBondContact O-NH1 2.85Å; T31-R75 PolarHBondContact O-NH2 2.82Å; A71-R75 WeakPolarHBondContact O-CB 3.32Å; A71-R75 PolarHBondContact O-N 2.92Å; R72-R75 PolarHBondContact O-N 2.97Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.76Å; R75-L77 PolarHBondContact O-N 3.18Å; R75-G78 WeakPolarHBondContact O-CA 3.26Å; R75-G78 PolarHBondContact O-N 2.94Å; R75-V81 HydrophobicContact CB-CG2 3.85Å; R75-D791 WeakPolarHBondContact CD-O 3.2Å; R75-D791 VanDerWaalsContact CG-O 3.31Å; R75-D791 WeakPolarHBondContact CG-O 3.22Å |
| 76 | M | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.8 | -20.5 | 176.7 | -66.4 | 176.1 | 74.5 | 0 | 0 | 112.9 | R72 Y73 G78 R767 N770 A793 P794 W795 | R72-M76 VanDerWaalsContact O-CG 3.31Å; R72-M76 WeakPolarHBondContact O-CG 3.46Å; R72-M76 PolarHBondContact O-N 3.21Å; Y73-M76 PolarHBondContact O-N 3.04Å; Y73-M76 VanDerWaalsContact O-N 3.15Å; M76-G78 PolarHBondContact O-N 3.4Å; M76-R767 HydrophobicContact CE-CB 3.67Å; M76-R767 HydrophobicContact CE-CG 3.82Å; M76-N770 HydrophobicContact CE-CB 4.49Å; M76-N770 HydrophobicContact SD-CB 4.05Å; M76-N770 PolarHBondContact SD-ND2 3.13Å; M76-N770 VanDerWaalsContact SD-ND2 3.4Å; M76-A793 WeakPolarHBondContact CB-O 3.43Å; M76-A793 WeakPolarHBondContact CG-O 3.46Å; M76-P794 CarbonylContact O-C 3.6Å; M76-P794 WeakPolarHBondContact O-CA 3.27Å; M76-W795 HydrophobicContact CB-CB 4.07Å; M76-W795 HydrophobicContact CB-CE3 4.22Å; M76-W795 HydrophobicContact CE-CE3 4.11Å; M76-W795 PolarHBondContact O-N 2.64Å; M76-W795 HydrophobicContact SD-CE3 4.08Å; M76-W795 HydrophobicContact SD-CZ3 4.38Å |
| 77 | L | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 13.3 Ų | 13.3 | 40% | 0.398 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4.4 | 167.7 | -64.4 | 178.6 | 0 | 0 | 0 | 113.3 | Y73 Q74 R75 W795 | Y73-L77 HydrophobicContact CD1-CD1 4.35Å; Y73-L77 HydrophobicContact CE1-CD1 3.7Å; Y73-L77 HydrophobicContact CE1-CG 4.46Å; Y73-L77 HydrophobicContact CE2-CD1 4.28Å; Y73-L77 HydrophobicContact CE2-CD2 4.27Å; Y73-L77 HydrophobicContact CE2-CG 4.28Å; Y73-L77 PolarHBondContact O-N 3.35Å; Y73-L77 VanDerWaalsContact O-N 3.11Å; Q74-L77 WeakPolarHBondContact O-CB 3.45Å; Q74-L77 PolarHBondContact O-N 2.83Å; R75-L77 PolarHBondContact O-N 3.18Å; L77-W795 HydrophobicContact CD2-CB 3.78Å; L77-W795 HydrophobicContact CD2-CG 3.94Å |
| 78 | G | 98.5 | Very high | 98.8 | Very high | 57 Ų | 57 | 13.5 Ų | 13.5 | 59% | 0.588 | 8% | 0.079 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | 5.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R75 M76 | R75-G78 WeakPolarHBondContact O-CA 3.26Å; R75-G78 PolarHBondContact O-N 2.94Å; M76-G78 PolarHBondContact O-N 3.4Å |
| 79 | K | 98.9 | Very high | 98.7 | Very high | 42 Ų | 42 | 13.6 Ų | 13.6 | 18% | 0.183 | 8% | 0.08 | C | C | . | . | trans | -76.6 | 153.8 | 179.3 | -55.3 | -163.2 | -173.8 | -159.5 | 0 | 112 | E41 Y43 Q74 V81 | E41-K79 HydrophobicContact CB-CG 4.5Å; E41-K79 HydrophobicContact CG-CD 4.41Å; E41-K79 CarbonylContact O-C 3.57Å; E41-K79 VanDerWaalsContact O-CA 3.24Å; E41-K79 WeakPolarHBondContact O-CA 3.4Å; E41-K79 WeakPolarHBondContact O-CB 3.4Å; E41-K79 WeakPolarHBondContact OE1-CE 3.39Å; E41-K79 IonicContact OE1-NZ 3.29Å; E41-K79 PolarHBondContact OE1-NZ 2.63Å; E41-K79 IonicContact OE2-NZ 2.57Å; Y43-K79 HydrophobicContact CD2-CD 4.06Å; Y43-K79 HydrophobicContact CG-CD 4.41Å; Q74-K79 WeakPolarHBondContact O-CB 3.43Å; Q74-K79 PolarHBondContact O-N 3.29Å; Q74-K79 VanDerWaalsContact OE1-CE 3.3Å; K79-V81 HydrophobicContact CB-CG2 4.27Å; K79-V81 PolarHBondContact O-N 2.75Å | ||
| 80 | N | 98.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 107 | 168.7 | -173.9 | 17.2 | 0 | 0 | 0 | 109.3 | V34 T35 K40 E41 K42 Y43 Y528 W529 | V34-N80 WeakPolarHBondContact CB-OD1 3.29Å; V34-N80 WeakPolarHBondContact CG1-OD1 3.08Å; T35-N80 PolarHBondContact O-ND2 3.35Å; K40-N80 HydrophobicContact CB-CB 3.74Å; K40-N80 HydrophobicContact CD-CB 3.95Å; E41-N80 PolarHBondContact O-N 3.3Å; K42-N80 CarbonylContact C-O 3.5Å; K42-N80 WeakPolarHBondContact CA-O 3.37Å; Y43-N80 PolarHBondContact N-O 2.71Å; N80-Y528 PolarHBondContact ND2-OH 2.94Å; N80-W529 HydrophobicContact CB-CH2 4.46Å; N80-W529 WeakPolarHBondContact O-CZ3 3.38Å |
| 81 | V | 99 | Very high | 97.9 | Very high | 5 Ų | 5 | 14 Ų | 14 | 3% | 0.03 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.8 | -167.2 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | V34 Y43 A71 Q74 R75 K79 | V34-V81 VanDerWaalsContact CG1-O 3.31Å; V34-V81 WeakPolarHBondContact CG1-O 3.38Å; Y43-V81 CarbonylContact O-C 3.5Å; Y43-V81 VanDerWaalsContact O-CA 3.27Å; Y43-V81 WeakPolarHBondContact O-CA 3.33Å; A71-V81 HydrophobicContact CB-CG1 3.89Å; Q74-V81 HydrophobicContact CB-CG2 3.87Å; R75-V81 HydrophobicContact CB-CG2 3.85Å; K79-V81 HydrophobicContact CB-CG2 4.27Å; K79-V81 PolarHBondContact O-N 2.75Å |
| 82 | L | 99 | Very high | 97 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.9 | 165.3 | 175.6 | 57.4 | 0 | 0 | 0 | 109.1 | V34 Y43 Y44 C45 P84 D128 R131 W529 | V34-L82 HydrophobicContact CG2-CB 4.03Å; V34-L82 HydrophobicContact CG2-CD1 3.93Å; Y43-L82 PolarHBondContact O-N 3.5Å; Y44-L82 HydrophobicContact CD1-CB 4.05Å; Y44-L82 HydrophobicContact CD1-CD2 3.89Å; Y44-L82 HydrophobicContact CD1-CG 3.78Å; Y44-L82 WeakPolarHBondContact CD1-O 3.39Å; Y44-L82 HydrophobicContact CD2-CD2 4.17Å; Y44-L82 HydrophobicContact CE1-CD2 3.81Å; Y44-L82 HydrophobicContact CE1-CG 3.83Å; Y44-L82 HydrophobicContact CE2-CD2 4.04Å; Y44-L82 HydrophobicContact CG-CB 4.42Å; Y44-L82 HydrophobicContact CG-CD2 4.1Å; Y44-L82 HydrophobicContact CG-CG 4.37Å; C45-L82 PolarHBondContact N-O 3Å; L82-P84 HydrophobicContact CD1-CB 4.18Å; L82-P84 HydrophobicContact CD1-CG 4.37Å; L82-P84 HydrophobicContact CG-CG 4.36Å; L82-D128 HydrophobicContact CD1-CB 4.39Å; L82-R131 VanDerWaalsContact CD1-CD 3.41Å; L82-W529 HydrophobicContact CB-CD2 3.84Å; L82-W529 HydrophobicContact CB-CE3 3.51Å; L82-W529 HydrophobicContact CB-CH2 3.66Å; L82-W529 HydrophobicContact CB-CZ2 3.97Å; L82-W529 HydrophobicContact CB-CZ3 3.42Å; L82-W529 VanDerWaalsContact CB-CZ3 3.42Å; L82-W529 HydrophobicContact CD2-CB 4.24Å; L82-W529 HydrophobicContact CD2-CD2 3.63Å; L82-W529 HydrophobicContact CD2-CE3 4.09Å; L82-W529 HydrophobicContact CD2-CG 3.69Å; L82-W529 HydrophobicContact CG-CD2 4.37Å; L82-W529 HydrophobicContact CG-CE3 4.45Å |
| 83 | Q | 98.9 | Very high | 96 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | trans | -126.3 | 95.2 | 167.3 | -173.9 | -175.8 | -151.2 | 0 | 0 | 107.9 | C45 G67 D68 A71 G126 Y127 D128 | C45-Q83 WeakPolarHBondContact O-CA 3.44Å; G67-Q83 PolarHBondContact O-OE1 2.93Å; D68-Q83 VanDerWaalsContact N-OE1 3.09Å; D68-Q83 PolarHBondContact OD1-NE2 3.09Å; A71-Q83 HydrophobicContact CB-CB 3.97Å; A71-Q83 VanDerWaalsContact CB-CD 3.47Å; A71-Q83 HydrophobicContact CB-CG 4.1Å; A71-Q83 VanDerWaalsContact CB-NE2 3.31Å; Q83-G126 PolarHBondContact NE2-O 3.04Å; Q83-Y127 HydrophobicContact CG-CD1 3.74Å; Q83-Y127 HydrophobicContact CG-CE1 3.83Å; Q83-Y127 CarbonylContact O-C 3.51Å; Q83-Y127 VanDerWaalsContact O-CA 3.28Å; Q83-Y127 WeakPolarHBondContact O-CA 3.4Å; Q83-D128 PolarHBondContact O-N 3.48Å | ||
| 84 | P | 98.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | trans | -93.2 | 170 | -177.2 | 36.1 | -30.8 | 0 | 0 | 0 | 111.3 | Y44 L46 L82 Y127 Y511 | Y44-P84 VanDerWaalsContact CE1-CD 3.49Å; Y44-P84 HydrophobicContact CE1-CG 3.55Å; L46-P84 HydrophobicContact CD1-CG 3.79Å; L82-P84 HydrophobicContact CD1-CB 4.18Å; L82-P84 HydrophobicContact CD1-CG 4.37Å; L82-P84 HydrophobicContact CG-CG 4.36Å; P84-Y127 WeakPolarHBondContact O-CD1 3.49Å; P84-Y511 HydrophobicContact CB-CD1 3.74Å; P84-Y511 HydrophobicContact CB-CD2 3.66Å; P84-Y511 HydrophobicContact CB-CE1 4.12Å; P84-Y511 HydrophobicContact CB-CE2 3.98Å; P84-Y511 HydrophobicContact CB-CG 3.51Å; P84-Y511 HydrophobicContact CG-CD1 4.36Å; P84-Y511 HydrophobicContact CG-CD2 3.34Å; P84-Y511 HydrophobicContact CG-CE2 3.77Å; P84-Y511 HydrophobicContact CG-CG 3.66Å | ||
| 85 | I | 98.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -147.9 | 164.5 | 173.5 | -159.8 | 57.6 | 0 | 0 | 0 | 110.3 | L120 Y127 W129 E132 Y511 | I85-L120 HydrophobicContact CG1-CD1 4.04Å; I85-Y127 HydrophobicContact CB-CD1 3.71Å; I85-Y127 HydrophobicContact CB-CD2 3.87Å; I85-Y127 HydrophobicContact CB-CE1 3.93Å; I85-Y127 HydrophobicContact CB-CE2 4.04Å; I85-Y127 HydrophobicContact CB-CG 3.71Å; I85-Y127 HydrophobicContact CD1-CE1 3.95Å; I85-Y127 HydrophobicContact CD1-CE2 4.06Å; I85-Y127 HydrophobicContact CG1-CD1 4.41Å; I85-Y127 HydrophobicContact CG1-CD2 4.08Å; I85-Y127 HydrophobicContact CG1-CE1 4.18Å; I85-Y127 HydrophobicContact CG1-CE2 3.79Å; I85-Y127 HydrophobicContact CG1-CG 4.39Å; I85-Y127 HydrophobicContact CG2-CD1 4.27Å; I85-Y127 HydrophobicContact CG2-CD2 3.85Å; I85-Y127 HydrophobicContact CG2-CE2 4.43Å; I85-Y127 HydrophobicContact CG2-CG 3.77Å; I85-W129 HydrophobicContact CG2-CD2 4.34Å; I85-W129 HydrophobicContact CG2-CE3 3.7Å; I85-W129 HydrophobicContact CG2-CH2 3.77Å; I85-W129 HydrophobicContact CG2-CZ2 4.39Å; I85-W129 HydrophobicContact CG2-CZ3 3.37Å; I85-E132 WeakPolarHBondContact O-CA 3.44Å; I85-Y511 WeakPolarHBondContact O-CE1 3.03Å; I85-Y511 PolarHBondContact O-OH 3.19Å | ||
| 86 | G | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -160.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | P50 L133 Y511 | P50-G86 VanDerWaalsContact CD-O 3.23Å; P50-G86 WeakPolarHBondContact CD-O 3.38Å; P50-G86 WeakPolarHBondContact CG-O 3.2Å; G86-L133 CarbonylContact C-O 3.48Å; G86-L133 WeakPolarHBondContact CA-O 3.38Å; G86-Y511 VanDerWaalsContact CA-OH 3.26Å; G86-Y511 WeakPolarHBondContact CA-OH 3.36Å; G86-Y511 PolarHBondContact N-OH 3.38Å |
| 87 | W | 98.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 116.8 | -167 | -43.5 | 97.3 | 0 | 0 | 0 | 110.7 | P50 P52 A89 I113 M116 K117 L120 E132 L133 A134 T135 | P50-W87 HydrophobicContact CG-CE3 3.88Å; P50-W87 HydrophobicContact CG-CZ3 3.93Å; P52-W87 HydrophobicContact CB-CE3 4.22Å; W87-A89 HydrophobicContact CB-CB 4.21Å; W87-A89 PolarHBondContact O-N 3.27Å; W87-I113 HydrophobicContact CB-CD1 3.86Å; W87-I113 HydrophobicContact CB-CG1 3.96Å; W87-I113 HydrophobicContact CD2-CB 4.19Å; W87-I113 HydrophobicContact CD2-CD1 4.39Å; W87-I113 HydrophobicContact CD2-CG1 3.68Å; W87-I113 HydrophobicContact CD2-CG2 3.95Å; W87-I113 HydrophobicContact CE3-CG1 4.05Å; W87-I113 HydrophobicContact CG-CB 4.43Å; W87-I113 HydrophobicContact CG-CD1 3.77Å; W87-I113 HydrophobicContact CG-CG1 3.6Å; W87-I113 HydrophobicContact CG-CG2 4.16Å; W87-I113 HydrophobicContact CZ2-CG2 4Å; W87-M116 HydrophobicContact CH2-CB 3.89Å; W87-M116 HydrophobicContact CZ3-CB 3.6Å; W87-K117 HydrophobicContact CH2-CB 3.92Å; W87-K117 HydrophobicContact CZ2-CB 3.71Å; W87-K117 HydrophobicContact CZ2-CG 4.36Å; W87-L120 HydrophobicContact CH2-CD1 3.78Å; W87-L120 HydrophobicContact CZ3-CD1 4.35Å; W87-E132 PolarHBondContact NE1-OE1 3.03Å; W87-L133 VanDerWaalsContact CD1-O 3.3Å; W87-L133 PolarHBondContact N-O 3.02Å; W87-A134 HydrophobicContact CB-CB 4.34Å; W87-T135 WeakPolarHBondContact O-CG2 3.36Å; W87-T135 PolarHBondContact O-N 2.71Å; W87-T135 PolarHBondContact O-OG1 3.2Å |
| 88 | D | 97.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | trans | -79.6 | 90.9 | 166.9 | -173.9 | -1.9 | 0 | 0 | 0 | 107.6 | L49 P50 Y51 P52 T135 | L49-D88 HydrophobicContact CD1-CB 4.05Å; L49-D88 HydrophobicContact CD2-CB 4.07Å; L49-D88 HydrophobicContact CG-CB 3.84Å; P50-D88 PolarHBondContact O-N 2.93Å; Y51-D88 WeakPolarHBondContact CA-O 3.39Å; Y51-D88 HydrophobicContact CD1-CB 3.98Å; Y51-D88 WeakPolarHBondContact CD1-O 3.35Å; Y51-D88 HydrophobicContact CE1-CB 3.89Å; Y51-D88 WeakPolarHBondContact CE1-OD2 3.47Å; Y51-D88 PolarHBondContact OH-OD2 3.37Å; P52-D88 WeakPolarHBondContact CD-O 3.43Å; D88-T135 WeakPolarHBondContact CA-OG1 3.47Å | ||
| 89 | A | 96.7 | Very high | 91 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | trans | -108.2 | -12.6 | -151.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P52 W87 T109 I113 T135 C136 W436 | P52-A89 HydrophobicContact CG-CB 4.03Å; W87-A89 HydrophobicContact CB-CB 4.21Å; W87-A89 PolarHBondContact O-N 3.27Å; A89-T109 HydrophobicContact CB-CG2 3.79Å; A89-I113 HydrophobicContact CB-CD1 4.46Å; A89-T135 PolarHBondContact N-OG1 2.8Å; A89-C136 HydrophobicContact CB-CB 3.74Å; A89-C136 WeakPolarHBondContact CB-SG 3.43Å; A89-W436 PolarHBondContact O-NE1 3.12Å | ||
| 90 | F | 94.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | trans | -82.5 | 170.8 | 170.3 | -78.4 | -49.9 | 0 | 0 | 0 | 112.2 | C136 Y141 W436 G437 A438 L462 T500 E503 | F90-C136 HydrophobicContact CD1-CB 3.81Å; F90-C136 HydrophobicContact CD2-CB 4.27Å; F90-C136 HydrophobicContact CE1-CB 3.67Å; F90-C136 VanDerWaalsContact CE2-CA 3.47Å; F90-C136 HydrophobicContact CE2-CB 4.18Å; F90-C136 HydrophobicContact CG-CB 4.11Å; F90-C136 VanDerWaalsContact CZ-CA 3.48Å; F90-C136 HydrophobicContact CZ-CB 3.88Å; F90-Y141 AromaticContact CE2-CD1 3.81Å; F90-Y141 HydrophobicContact CE2-CD1 3.81Å; F90-Y141 HydrophobicContact CE2-CE1 4.48Å; F90-Y141 HydrophobicContact CE2-CG 4.34Å; F90-Y141 AromaticContact CZ-CD1 3.84Å; F90-Y141 HydrophobicContact CZ-CD1 3.84Å; F90-Y141 HydrophobicContact CZ-CE1 4.04Å; F90-W436 VanDerWaalsContact CD1-C 3.49Å; F90-W436 AromaticContact CD1-CD1 3.98Å; F90-W436 AromaticContact CD1-CD2 3.97Å; F90-W436 HydrophobicContact CD1-CD2 3.97Å; F90-W436 AromaticContact CD1-CE2 3.93Å; F90-W436 HydrophobicContact CD1-CG 4.03Å; F90-W436 HydrophobicContact CD1-CZ2 4.47Å; F90-W436 AromaticContact CD1-NE1 3.92Å; F90-W436 HydrophobicContact CE1-CD2 4.22Å; F90-W436 HydrophobicContact CE1-CE3 4.4Å; F90-W436 HydrophobicContact CE1-CZ2 4.44Å; F90-G437 VanDerWaalsContact CD1-CA 3.47Å; F90-A438 HydrophobicContact CD2-CB 4.47Å; F90-A438 HydrophobicContact CE2-CB 3.85Å; F90-L462 HydrophobicContact CE1-CD2 3.87Å; F90-L462 HydrophobicContact CZ-CD2 4.46Å; F90-T500 HydrophobicContact CB-CG2 3.99Å; F90-E503 HydrophobicContact CD2-CG 4.16Å; F90-E503 VanDerWaalsContact CD2-OE1 3.29Å; F90-E503 WeakPolarHBondContact CD2-OE1 3.35Å | ||
| 91 | G | 87.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 112.6 | 173.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A94 W436 T500 | G91-A94 PolarHBondContact O-N 3.41Å; G91-W436 PolarHBondContact N-O 3.42Å; G91-T500 VanDerWaalsContact CA-CG2 3.45Å |
| 92 | L | 79.2 | Confident | 88.7 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.7 | -35.2 | -174.9 | -66.8 | 168 | 0 | 0 | 0 | 116.1 | A94 E95 G96 D170 T172 R186 R434 | L92-A94 VanDerWaalsContact C-N 3.25Å; L92-A94 PolarHBondContact O-N 3.41Å; L92-E95 PolarHBondContact O-N 3.4Å; L92-G96 PolarHBondContact O-N 2.88Å; L92-D170 HydrophobicContact CD1-CB 3.9Å; L92-D170 HydrophobicContact CD2-CB 4.44Å; L92-T172 HydrophobicContact CD1-CG2 4.08Å; L92-R186 VanDerWaalsContact CG-NH1 3.28Å; L92-R434 HydrophobicContact CD2-CG 4.12Å; L92-R434 VanDerWaalsContact CD2-CZ 3.42Å |
| 93 | P | 78.6 | Confident | 88.3 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.6 | -39.7 | -177.7 | -28.3 | 36.7 | 0 | 0 | 0 | 113.3 | A97 | P93-A97 WeakPolarHBondContact O-CB 3.24Å; P93-A97 PolarHBondContact O-N 3.33Å; P93-A97 VanDerWaalsContact O-N 3.11Å |
| 94 | A | 83.5 | Confident | 88 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.5 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G91 L92 A97 A98 P105 W108 W436 | G91-A94 PolarHBondContact O-N 3.41Å; L92-A94 VanDerWaalsContact C-N 3.25Å; L92-A94 PolarHBondContact O-N 3.41Å; A94-A97 PolarHBondContact O-N 2.86Å; A94-A98 WeakPolarHBondContact O-CB 3.15Å; A94-A98 PolarHBondContact O-N 3.47Å; A94-P105 HydrophobicContact CB-CB 4.08Å; A94-W108 HydrophobicContact CB-CE3 3.71Å; A94-W108 HydrophobicContact CB-CZ3 3.8Å; A94-W436 HydrophobicContact CB-CG 4.4Å |
| 95 | E | 83.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.7 | -67.1 | -171.7 | 178.1 | 0 | 0 | 112.4 | L92 A97 A98 V99 P105 R434 Y435 W436 M468 | L92-E95 PolarHBondContact O-N 3.4Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 2.86Å; E95-A98 WeakPolarHBondContact O-CB 3.32Å; E95-A98 PolarHBondContact O-N 3.44Å; E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 3.07Å; E95-P105 HydrophobicContact CG-CG 4.36Å; E95-R434 WeakPolarHBondContact OE1-CB 3.35Å; E95-R434 IonicContact OE2-CZ 3.2Å; E95-R434 VanDerWaalsContact OE2-CZ 3.31Å; E95-R434 IonicContact OE2-NE 2.91Å; E95-R434 PolarHBondContact OE2-NE 3.31Å; E95-R434 IonicContact OE2-NH2 2.79Å; E95-R434 PolarHBondContact OE2-NH2 3.31Å; E95-Y435 WeakPolarHBondContact OE1-CA 3.45Å; E95-Y435 PolarHBondContact OE1-N 3.17Å; E95-W436 HydrophobicContact CG-CB 3.56Å; E95-W436 PolarHBondContact OE1-N 3.14Å; E95-M468 HydrophobicContact CB-CE 4.24Å; E95-M468 HydrophobicContact CG-CE 4.05Å |
| 96 | G | 79.3 | Confident | 87.6 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 45% | 0.454 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L92 K100 | L92-G96 PolarHBondContact O-N 2.88Å; G96-K100 VanDerWaalsContact O-CB 3.3Å; G96-K100 WeakPolarHBondContact O-CB 3.37Å; G96-K100 PolarHBondContact O-N 2.96Å |
| 97 | A | 77.8 | Confident | 87.5 | Confident | 14 Ų | 14 | 37 Ų | 37 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P93 A94 E95 K100 N101 W108 | P93-A97 WeakPolarHBondContact O-CB 3.24Å; P93-A97 PolarHBondContact O-N 3.33Å; P93-A97 VanDerWaalsContact O-N 3.11Å; A94-A97 PolarHBondContact O-N 2.86Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 2.86Å; A97-K100 PolarHBondContact O-N 3.26Å; A97-N101 VanDerWaalsContact O-CB 3.3Å; A97-N101 WeakPolarHBondContact O-CB 3.5Å; A97-N101 PolarHBondContact O-N 3.48Å; A97-N101 PolarHBondContact O-ND2 2.98Å; A97-W108 HydrophobicContact CB-CD2 3.8Å; A97-W108 HydrophobicContact CB-CE3 4.39Å; A97-W108 HydrophobicContact CB-CG 4.28Å; A97-W108 HydrophobicContact CB-CH2 4.06Å; A97-W108 HydrophobicContact CB-CZ2 3.45Å; A97-W108 VanDerWaalsContact CB-CZ2 3.45Å |
| 98 | A | 81.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A94 E95 N101 N102 T103 P105 M468 | A94-A98 WeakPolarHBondContact O-CB 3.15Å; A94-A98 PolarHBondContact O-N 3.47Å; E95-A98 WeakPolarHBondContact O-CB 3.32Å; E95-A98 PolarHBondContact O-N 3.44Å; A98-N101 PolarHBondContact O-N 2.95Å; A98-N102 WeakPolarHBondContact O-CA 3.41Å; A98-N102 PolarHBondContact O-N 3.31Å; A98-T103 CarbonylContact C-O 3.57Å; A98-T103 WeakPolarHBondContact CA-O 3.48Å; A98-T103 HydrophobicContact CB-CG2 4.38Å; A98-T103 VanDerWaalsContact CB-O 3.27Å; A98-T103 WeakPolarHBondContact CB-O 3.34Å; A98-T103 PolarHBondContact O-N 3.43Å; A98-P105 HydrophobicContact CB-CB 4.47Å; A98-P105 HydrophobicContact CB-CG 3.71Å; A98-M468 HydrophobicContact CB-CG 4.27Å |
| 99 | V | 81.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -48.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | E95 N101 N102 M468 | E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 3.07Å; V99-N101 VanDerWaalsContact C-N 3.31Å; V99-N101 PolarHBondContact O-N 3.18Å; V99-N102 PolarHBondContact O-N 2.67Å; V99-M468 HydrophobicContact CG2-CB 4.14Å |
| 100 | K | 80.1 | Confident | 87.2 | Confident | 179 Ų | 179 | 42.4 Ų | 42.4 | 78% | 0.778 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.4 | -37.1 | -177.1 | -176.8 | 177 | 178 | 177.9 | 0 | 113.1 | G96 A97 | G96-K100 VanDerWaalsContact O-CB 3.3Å; G96-K100 WeakPolarHBondContact O-CB 3.37Å; G96-K100 PolarHBondContact O-N 2.96Å; A97-K100 PolarHBondContact O-N 3.26Å |
| 101 | N | 83 | Confident | 87.3 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -103.6 | 7.8 | -173.7 | -57.7 | -35.8 | 0 | 0 | 0 | 113.1 | A97 A98 V99 T103 | A97-N101 VanDerWaalsContact O-CB 3.3Å; A97-N101 WeakPolarHBondContact O-CB 3.5Å; A97-N101 PolarHBondContact O-N 3.48Å; A97-N101 PolarHBondContact O-ND2 2.98Å; A98-N101 PolarHBondContact O-N 2.95Å; V99-N101 VanDerWaalsContact C-N 3.31Å; V99-N101 PolarHBondContact O-N 3.18Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 HydrophobicContact CB-CG2 4.23Å; N101-T103 PolarHBondContact O-N 3.19Å |
| 102 | N | 86.3 | Confident | 87.6 | Confident | 148 Ų | 148 | 48.3 Ų | 48.3 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 49 | -176.4 | -164.4 | 46.4 | 0 | 0 | 0 | 112.8 | A98 V99 | A98-N102 WeakPolarHBondContact O-CA 3.41Å; A98-N102 PolarHBondContact O-N 3.31Å; V99-N102 PolarHBondContact O-N 2.67Å |
| 103 | T | 90.6 | Very high | 88.5 | Confident | 52 Ų | 52 | 48 Ų | 48 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | trans | -127.2 | 178.7 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | A98 N101 W108 | A98-T103 CarbonylContact C-O 3.57Å; A98-T103 WeakPolarHBondContact CA-O 3.48Å; A98-T103 HydrophobicContact CB-CG2 4.38Å; A98-T103 VanDerWaalsContact CB-O 3.27Å; A98-T103 WeakPolarHBondContact CB-O 3.34Å; A98-T103 PolarHBondContact O-N 3.43Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 HydrophobicContact CB-CG2 4.23Å; N101-T103 PolarHBondContact O-N 3.19Å; T103-W108 HydrophobicContact CG2-CB 4.1Å; T103-W108 HydrophobicContact CG2-CG 4.49Å | ||
| 104 | A | 92.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | trans | -97.1 | 151.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A106 P107 W108 V466 | A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 2.8Å; A104-P107 HydrophobicContact CB-CG 3.95Å; A104-P107 VanDerWaalsContact O-CD 3.31Å; A104-P107 WeakPolarHBondContact O-CD 3.31Å; A104-P107 WeakPolarHBondContact O-CG 3.38Å; A104-W108 PolarHBondContact O-N 3.03Å; A104-V466 HydrophobicContact CB-CG2 4.44Å | ||
| 105 | P | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -35.7 | 179.6 | -28.2 | 38 | 0 | 0 | 0 | 114.2 | A94 E95 A98 T109 Y435 W436 M468 | A94-P105 HydrophobicContact CB-CB 4.08Å; E95-P105 HydrophobicContact CG-CG 4.36Å; A98-P105 HydrophobicContact CB-CB 4.47Å; A98-P105 HydrophobicContact CB-CG 3.71Å; P105-T109 VanDerWaalsContact O-CB 3.24Å; P105-T109 WeakPolarHBondContact O-CB 3.41Å; P105-T109 PolarHBondContact O-N 2.84Å; P105-T109 PolarHBondContact O-OG1 2.93Å; P105-Y435 HydrophobicContact CB-CE1 4.38Å; P105-Y435 HydrophobicContact CG-CD1 4.02Å; P105-Y435 HydrophobicContact CG-CE1 3.8Å; P105-W436 HydrophobicContact CB-CB 4.11Å; P105-W436 HydrophobicContact CB-CD2 3.34Å; P105-W436 HydrophobicContact CB-CE3 3.59Å; P105-W436 HydrophobicContact CB-CG 3.57Å; P105-W436 HydrophobicContact CB-CZ2 4.39Å; P105-W436 HydrophobicContact CB-CZ3 4.22Å; P105-W436 HydrophobicContact CG-CB 4.37Å; P105-W436 HydrophobicContact CG-CD2 4.31Å; P105-W436 HydrophobicContact CG-CE3 4.31Å; P105-W436 HydrophobicContact CG-CG 4.34Å; P105-M468 HydrophobicContact CG-CE 4.4Å; P105-M468 HydrophobicContact CG-CG 4.32Å; P105-M468 HydrophobicContact CG-SD 4.24Å |
| 106 | A | 96.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -62.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A104 W108 T109 Y110 W436 E464 | A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 2.8Å; A106-W108 VanDerWaalsContact C-N 3.27Å; A106-W108 PolarHBondContact O-N 2.82Å; A106-T109 WeakPolarHBondContact O-CB 3.3Å; A106-T109 PolarHBondContact O-N 3.27Å; A106-Y110 HydrophobicContact CB-CD2 4.49Å; A106-Y110 HydrophobicContact CB-CE2 4.1Å; A106-Y110 WeakPolarHBondContact O-CD2 3.37Å; A106-Y110 PolarHBondContact O-N 2.7Å; A106-W436 HydrophobicContact CB-CH2 3.34Å; A106-W436 HydrophobicContact CB-CZ2 4.17Å; A106-W436 HydrophobicContact CB-CZ3 3.8Å; A106-E464 HydrophobicContact CB-CB 3.65Å; A106-E464 HydrophobicContact CB-CG 3.84Å |
| 107 | P | 95.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | -179.9 | 24 | -34.7 | 0 | 0 | 0 | 111.9 | A104 T109 Y110 D111 | A104-P107 HydrophobicContact CB-CG 3.95Å; A104-P107 VanDerWaalsContact O-CD 3.31Å; A104-P107 WeakPolarHBondContact O-CD 3.31Å; A104-P107 WeakPolarHBondContact O-CG 3.38Å; P107-T109 VanDerWaalsContact C-N 3.31Å; P107-T109 PolarHBondContact O-N 2.89Å; P107-Y110 PolarHBondContact O-N 3.35Å; P107-D111 WeakPolarHBondContact O-CB 3.46Å; P107-D111 VanDerWaalsContact O-CG 3.28Å; P107-D111 PolarHBondContact O-N 3.43Å |
| 108 | W | 93.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 16% | 0.163 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.2 | -174.9 | 85.5 | 0 | 0 | 0 | 112.4 | P52 A94 A97 T103 A104 A106 N112 | P52-W108 WeakPolarHBondContact O-CZ3 3.4Å; A94-W108 HydrophobicContact CB-CE3 3.71Å; A94-W108 HydrophobicContact CB-CZ3 3.8Å; A97-W108 HydrophobicContact CB-CD2 3.8Å; A97-W108 HydrophobicContact CB-CE3 4.39Å; A97-W108 HydrophobicContact CB-CG 4.28Å; A97-W108 HydrophobicContact CB-CH2 4.06Å; A97-W108 HydrophobicContact CB-CZ2 3.45Å; A97-W108 VanDerWaalsContact CB-CZ2 3.45Å; T103-W108 HydrophobicContact CG2-CB 4.1Å; T103-W108 HydrophobicContact CG2-CG 4.49Å; A104-W108 PolarHBondContact O-N 3.03Å; A106-W108 VanDerWaalsContact C-N 3.27Å; A106-W108 PolarHBondContact O-N 2.82Å; W108-N112 VanDerWaalsContact CD2-ND2 3.28Å; W108-N112 WeakPolarHBondContact CH2-ND2 3.25Å; W108-N112 WeakPolarHBondContact CZ2-ND2 3.34Å; W108-N112 WeakPolarHBondContact CZ3-ND2 3.38Å; W108-N112 WeakPolarHBondContact O-CB 3.39Å; W108-N112 PolarHBondContact O-N 2.92Å; W108-N112 VanDerWaalsContact O-N 3.16Å; W108-N112 PolarHBondContact O-ND2 3.26Å; W108-N112 PolarHBondContact O-OD1 3.18Å |
| 109 | T | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 178 | -62.5 | 0 | 0 | 0 | 0 | 111 | P52 A89 P105 A106 P107 N112 I113 | P52-T109 HydrophobicContact CG-CG2 3.78Å; A89-T109 HydrophobicContact CB-CG2 3.79Å; P105-T109 VanDerWaalsContact O-CB 3.24Å; P105-T109 WeakPolarHBondContact O-CB 3.41Å; P105-T109 PolarHBondContact O-N 2.84Å; P105-T109 PolarHBondContact O-OG1 2.93Å; A106-T109 WeakPolarHBondContact O-CB 3.3Å; A106-T109 PolarHBondContact O-N 3.27Å; P107-T109 VanDerWaalsContact C-N 3.31Å; P107-T109 PolarHBondContact O-N 2.89Å; T109-N112 PolarHBondContact O-N 3.45Å; T109-I113 HydrophobicContact CG2-CD1 3.98Å; T109-I113 VanDerWaalsContact O-CG1 3.3Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 2.95Å |
| 110 | Y | 97.3 | Very high | 94 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | -179.5 | -64.3 | -52.7 | 0 | 0 | 0 | 113.1 | A106 P107 N112 I113 A114 T137 E464 | A106-Y110 HydrophobicContact CB-CD2 4.49Å; A106-Y110 HydrophobicContact CB-CE2 4.1Å; A106-Y110 WeakPolarHBondContact O-CD2 3.37Å; A106-Y110 PolarHBondContact O-N 2.7Å; P107-Y110 PolarHBondContact O-N 3.35Å; Y110-N112 VanDerWaalsContact C-N 3.32Å; Y110-N112 PolarHBondContact O-N 2.96Å; Y110-I113 HydrophobicContact CD1-CD1 4.22Å; Y110-I113 PolarHBondContact O-N 3.12Å; Y110-A114 PolarHBondContact O-N 2.87Å; Y110-T137 HydrophobicContact CE1-CG2 4.4Å; Y110-E464 PolarHBondContact OH-OE1 2.76Å |
| 111 | D | 96.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.3 | -73.7 | -17.3 | 0 | 0 | 0 | 111.2 | P107 A114 Y115 | P107-D111 WeakPolarHBondContact O-CB 3.46Å; P107-D111 VanDerWaalsContact O-CG 3.28Å; P107-D111 PolarHBondContact O-N 3.43Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-Y115 WeakPolarHBondContact O-CB 3.47Å; D111-Y115 PolarHBondContact O-N 3.45Å |
| 112 | N | 94.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 176.9 | -68.5 | -16.2 | 0 | 0 | 0 | 112.9 | P52 G54 W108 T109 Y110 A114 Y115 M116 | P52-N112 HydrophobicContact CB-CB 4.22Å; P52-N112 VanDerWaalsContact O-CB 3.26Å; P52-N112 WeakPolarHBondContact O-CB 3.46Å; P52-N112 PolarHBondContact O-ND2 2.96Å; G54-N112 VanDerWaalsContact CA-CG 3.43Å; G54-N112 WeakPolarHBondContact CA-OD1 3.16Å; G54-N112 PolarHBondContact N-ND2 2.78Å; W108-N112 VanDerWaalsContact CD2-ND2 3.28Å; W108-N112 WeakPolarHBondContact CH2-ND2 3.25Å; W108-N112 WeakPolarHBondContact CZ2-ND2 3.34Å; W108-N112 WeakPolarHBondContact CZ3-ND2 3.38Å; W108-N112 WeakPolarHBondContact O-CB 3.39Å; W108-N112 PolarHBondContact O-N 2.92Å; W108-N112 VanDerWaalsContact O-N 3.16Å; W108-N112 PolarHBondContact O-ND2 3.26Å; W108-N112 PolarHBondContact O-OD1 3.18Å; T109-N112 PolarHBondContact O-N 3.45Å; Y110-N112 VanDerWaalsContact C-N 3.32Å; Y110-N112 PolarHBondContact O-N 2.96Å; N112-A114 VanDerWaalsContact C-N 3.35Å; N112-Y115 PolarHBondContact O-N 3.42Å; N112-M116 WeakPolarHBondContact O-CB 3.43Å; N112-M116 WeakPolarHBondContact O-CG 3.49Å; N112-M116 PolarHBondContact O-N 3.41Å |
| 113 | I | 97.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.5 | -52.2 | 172.4 | -76.1 | 171.8 | 0 | 0 | 0 | 109.2 | P52 W87 A89 T109 Y110 Y115 M116 K117 A134 | P52-I113 HydrophobicContact CB-CD1 4.5Å; P52-I113 HydrophobicContact CB-CG1 3.62Å; P52-I113 HydrophobicContact CG-CG1 4.17Å; W87-I113 HydrophobicContact CB-CD1 3.86Å; W87-I113 HydrophobicContact CB-CG1 3.96Å; W87-I113 HydrophobicContact CD2-CB 4.19Å; W87-I113 HydrophobicContact CD2-CD1 4.39Å; W87-I113 HydrophobicContact CD2-CG1 3.68Å; W87-I113 HydrophobicContact CD2-CG2 3.95Å; W87-I113 HydrophobicContact CE3-CG1 4.05Å; W87-I113 HydrophobicContact CG-CB 4.43Å; W87-I113 HydrophobicContact CG-CD1 3.77Å; W87-I113 HydrophobicContact CG-CG1 3.6Å; W87-I113 HydrophobicContact CG-CG2 4.16Å; W87-I113 HydrophobicContact CZ2-CG2 4Å; A89-I113 HydrophobicContact CB-CD1 4.46Å; T109-I113 HydrophobicContact CG2-CD1 3.98Å; T109-I113 VanDerWaalsContact O-CG1 3.3Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 2.95Å; Y110-I113 HydrophobicContact CD1-CD1 4.22Å; Y110-I113 PolarHBondContact O-N 3.12Å; I113-Y115 VanDerWaalsContact C-N 3.32Å; I113-Y115 PolarHBondContact O-N 3.24Å; I113-M116 PolarHBondContact O-N 2.68Å; I113-K117 WeakPolarHBondContact O-CB 3.33Å; I113-K117 PolarHBondContact O-N 3.03Å; I113-A134 HydrophobicContact CD1-CB 3.99Å |
| 114 | A | 98.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 51% | 0.512 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y110 D111 N112 N118 | Y110-A114 PolarHBondContact O-N 2.87Å; D111-A114 PolarHBondContact O-N 2.96Å; N112-A114 VanDerWaalsContact C-N 3.35Å; A114-N118 PolarHBondContact O-N 3.5Å |
| 115 | Y | 96.2 | Very high | 96.8 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.2 | -53 | 178.8 | -169 | -91.7 | 0 | 0 | 0 | 112.4 | G54 R55 D111 N112 I113 K117 N118 Q119 | G54-Y115 VanDerWaalsContact O-CD1 3.3Å; G54-Y115 WeakPolarHBondContact O-CD1 3.24Å; R55-Y115 HydrophobicContact CB-CE1 4.27Å; R55-Y115 HydrophobicContact CG-CD1 4.3Å; R55-Y115 HydrophobicContact CG-CE1 3.93Å; R55-Y115 PolarHBondContact NE-OH 3.45Å; R55-Y115 PolarHBondContact NH2-OH 3.24Å; D111-Y115 WeakPolarHBondContact O-CB 3.47Å; D111-Y115 PolarHBondContact O-N 3.45Å; N112-Y115 PolarHBondContact O-N 3.42Å; I113-Y115 VanDerWaalsContact C-N 3.32Å; I113-Y115 PolarHBondContact O-N 3.24Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.37Å; Y115-N118 WeakPolarHBondContact O-CB 3.41Å; Y115-N118 PolarHBondContact O-N 2.86Å; Y115-Q119 HydrophobicContact CD1-CG 4.24Å; Y115-Q119 HydrophobicContact CE1-CG 3.98Å; Y115-Q119 PolarHBondContact O-N 3.18Å; Y115-Q119 VanDerWaalsContact O-N 3.15Å |
| 116 | M | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -33.2 | -179.3 | -69.7 | 175.8 | 67.3 | 0 | 0 | 111.7 | P50 Y51 G54 L56 W87 N112 I113 N118 Q119 L120 | P50-M116 HydrophobicContact CB-CE 3.97Å; Y51-M116 WeakPolarHBondContact O-CE 3.48Å; G54-M116 WeakPolarHBondContact O-CG 3.43Å; L56-M116 HydrophobicContact CD2-CE 3.63Å; L56-M116 HydrophobicContact CG-CE 4.45Å; W87-M116 HydrophobicContact CH2-CB 3.89Å; W87-M116 HydrophobicContact CZ3-CB 3.6Å; N112-M116 WeakPolarHBondContact O-CB 3.43Å; N112-M116 WeakPolarHBondContact O-CG 3.49Å; N112-M116 PolarHBondContact O-N 3.41Å; I113-M116 PolarHBondContact O-N 2.68Å; M116-N118 VanDerWaalsContact C-N 3.31Å; M116-N118 PolarHBondContact O-N 3.46Å; M116-Q119 PolarHBondContact O-N 3.03Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.19Å |
| 117 | K | 98.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 173.4 | -179.1 | 168.6 | -175 | 169.1 | 0 | 111 | W87 I113 Y115 L120 K121 W129 E132 | W87-K117 HydrophobicContact CH2-CB 3.92Å; W87-K117 HydrophobicContact CZ2-CB 3.71Å; W87-K117 HydrophobicContact CZ2-CG 4.36Å; I113-K117 WeakPolarHBondContact O-CB 3.33Å; I113-K117 PolarHBondContact O-N 3.03Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.37Å; K117-L120 PolarHBondContact O-N 2.85Å; K117-K121 PolarHBondContact O-N 2.98Å; K117-W129 HydrophobicContact CD-CE3 4.4Å; K117-W129 HydrophobicContact CD-CZ3 4.02Å; K117-W129 HydrophobicContact CG-CE3 4.41Å; K117-W129 HydrophobicContact CG-CH2 3.78Å; K117-W129 HydrophobicContact CG-CZ3 3.69Å; K117-E132 IonicContact NZ-OE1 3.37Å; K117-E132 PolarHBondContact NZ-OE1 3.11Å; K117-E132 IonicContact NZ-OE2 2.82Å; K117-E132 PolarHBondContact NZ-OE2 3.29Å |
| 118 | N | 96.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 33 Ų | 33 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.7 | -171.3 | 31.2 | 0 | 0 | 0 | 111.4 | A114 Y115 M116 L120 K121 M122 | A114-N118 PolarHBondContact O-N 3.5Å; Y115-N118 WeakPolarHBondContact O-CB 3.41Å; Y115-N118 PolarHBondContact O-N 2.86Å; M116-N118 VanDerWaalsContact C-N 3.31Å; M116-N118 PolarHBondContact O-N 3.46Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.84Å; N118-K121 PolarHBondContact O-N 3.27Å; N118-M122 WeakPolarHBondContact O-CB 3.43Å; N118-M122 WeakPolarHBondContact O-CG 3.46Å; N118-M122 PolarHBondContact O-N 3.32Å |
| 119 | Q | 96.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.6 | -60.7 | -167.5 | -84.3 | 0 | 0 | 112.7 | L56 Y115 M116 M122 L123 D637 | L56-Q119 HydrophobicContact CD1-CB 3.57Å; L56-Q119 HydrophobicContact CG-CB 4.02Å; Y115-Q119 HydrophobicContact CD1-CG 4.24Å; Y115-Q119 HydrophobicContact CE1-CG 3.98Å; Y115-Q119 PolarHBondContact O-N 3.18Å; Y115-Q119 VanDerWaalsContact O-N 3.15Å; M116-Q119 PolarHBondContact O-N 3.03Å; Q119-M122 PolarHBondContact O-N 3.36Å; Q119-L123 PolarHBondContact O-N 3.49Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; Q119-D637 PolarHBondContact NE2-OD1 2.93Å |
| 120 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.7 | -69.3 | 172.2 | 0 | 0 | 0 | 111.7 | L56 Y64 I85 W87 M116 K117 N118 L123 G124 F125 Y127 W129 | L56-L120 HydrophobicContact CD1-CD2 3.67Å; L56-L120 HydrophobicContact CD1-CG 3.98Å; L56-L120 HydrophobicContact CD2-CD2 4.01Å; L56-L120 HydrophobicContact CD2-CG 4.37Å; L56-L120 HydrophobicContact CG-CD2 4.5Å; Y64-L120 HydrophobicContact CD2-CD2 3.45Å; Y64-L120 VanDerWaalsContact CD2-CD2 3.45Å; Y64-L120 HydrophobicContact CE2-CD2 3.85Å; Y64-L120 HydrophobicContact CG-CD2 4.34Å; I85-L120 HydrophobicContact CG1-CD1 4.04Å; W87-L120 HydrophobicContact CH2-CD1 3.78Å; W87-L120 HydrophobicContact CZ3-CD1 4.35Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.19Å; K117-L120 PolarHBondContact O-N 2.85Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.84Å; L120-L123 PolarHBondContact O-N 2.71Å; L120-G124 PolarHBondContact O-N 3.22Å; L120-F125 HydrophobicContact CB-CD2 4.29Å; L120-F125 HydrophobicContact CD2-CD2 3.76Å; L120-F125 HydrophobicContact CD2-CE2 3.8Å; L120-F125 WeakPolarHBondContact O-CD2 3.48Å; L120-Y127 HydrophobicContact CB-CE2 4.48Å; L120-Y127 HydrophobicContact CD2-CE2 4.41Å; L120-W129 HydrophobicContact CB-CH2 4.15Å; L120-W129 HydrophobicContact CB-CZ2 4.33Å; L120-W129 HydrophobicContact CD1-CH2 4.21Å |
| 121 | K | 97.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 24% | 0.239 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 175 | -75.8 | -165.7 | 167.3 | -146 | 0 | 112.4 | Q23 D27 K117 N118 L123 G124 W129 | Q23-K121 PolarHBondContact NE2-O 3.06Å; Q23-K121 PolarHBondContact OE1-O 3.47Å; D27-K121 IonicContact OD1-NZ 2.68Å; D27-K121 PolarHBondContact OD1-NZ 2.85Å; D27-K121 IonicContact OD2-NZ 2.92Å; D27-K121 PolarHBondContact OD2-NZ 3.18Å; K117-K121 PolarHBondContact O-N 2.98Å; N118-K121 PolarHBondContact O-N 3.27Å; K121-L123 PolarHBondContact O-N 3.44Å; K121-G124 WeakPolarHBondContact O-CA 3.42Å; K121-G124 PolarHBondContact O-N 2.95Å; K121-W129 HydrophobicContact CG-CH2 4.45Å; K121-W129 HydrophobicContact CG-CZ2 3.61Å |
| 122 | M | 96.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -29.8 | 175.9 | -75.5 | -173.8 | 64.1 | 0 | 0 | 112.8 | Q23 N118 Q119 G124 Q639 V642 A647 | Q23-M122 PolarHBondContact NE2-O 3Å; N118-M122 WeakPolarHBondContact O-CB 3.43Å; N118-M122 WeakPolarHBondContact O-CG 3.46Å; N118-M122 PolarHBondContact O-N 3.32Å; Q119-M122 PolarHBondContact O-N 3.36Å; M122-G124 VanDerWaalsContact C-N 3.25Å; M122-Q639 PolarHBondContact SD-NE2 2.91Å; M122-Q639 VanDerWaalsContact SD-NE2 3.38Å; M122-V642 HydrophobicContact CE-CG1 4.09Å; M122-A647 WeakPolarHBondContact O-CB 3.31Å |
| 123 | L | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.1 | 172.3 | -75.3 | 161.5 | 0 | 0 | 0 | 113.3 | L56 V61 Q119 L120 K121 F125 V642 A647 R651 | L56-L123 HydrophobicContact CD1-CD1 3.92Å; V61-L123 HydrophobicContact CG1-CD1 4.35Å; V61-L123 HydrophobicContact CG1-CD2 4.17Å; V61-L123 HydrophobicContact CG2-CD1 3.77Å; Q119-L123 PolarHBondContact O-N 3.49Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; L120-L123 PolarHBondContact O-N 2.71Å; K121-L123 PolarHBondContact O-N 3.44Å; L123-F125 HydrophobicContact CB-CD2 3.96Å; L123-F125 HydrophobicContact CB-CE1 4.2Å; L123-F125 HydrophobicContact CB-CE2 3.52Å; L123-F125 HydrophobicContact CB-CG 4.49Å; L123-F125 HydrophobicContact CB-CZ 3.65Å; L123-F125 HydrophobicContact CD1-CE2 3.59Å; L123-F125 HydrophobicContact CD1-CZ 3.83Å; L123-F125 HydrophobicContact CG-CE2 4.17Å; L123-F125 HydrophobicContact CG-CZ 4.23Å; L123-F125 PolarHBondContact O-N 3.27Å; L123-V642 HydrophobicContact CD2-CG2 3.7Å; L123-V642 HydrophobicContact CG-CG2 4.39Å; L123-A647 HydrophobicContact CD2-CB 4.4Å; L123-R651 WeakPolarHBondContact O-CD 3.23Å; L123-R651 PolarHBondContact O-NH1 3.08Å |
| 124 | G | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R72 L120 K121 M122 G126 H775 | R72-G124 PolarHBondContact NH2-O 2.98Å; L120-G124 PolarHBondContact O-N 3.22Å; K121-G124 WeakPolarHBondContact O-CA 3.42Å; K121-G124 PolarHBondContact O-N 2.95Å; M122-G124 VanDerWaalsContact C-N 3.25Å; G124-G126 PolarHBondContact O-N 3.48Å; G124-H775 WeakPolarHBondContact CA-NE2 3.38Å |
| 125 | F | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -67.1 | 127.5 | 174.1 | -57.5 | -47.9 | 0 | 0 | 0 | 110.4 | Y64 D68 L120 L123 Y127 | Y64-F125 HydrophobicContact CD2-CE2 4.31Å; Y64-F125 HydrophobicContact CG-CE2 4.39Å; D68-F125 HydrophobicContact CB-CD1 3.68Å; D68-F125 HydrophobicContact CB-CE1 4.45Å; L120-F125 HydrophobicContact CB-CD2 4.29Å; L120-F125 HydrophobicContact CD2-CD2 3.76Å; L120-F125 HydrophobicContact CD2-CE2 3.8Å; L120-F125 WeakPolarHBondContact O-CD2 3.48Å; L123-F125 HydrophobicContact CB-CD2 3.96Å; L123-F125 HydrophobicContact CB-CE1 4.2Å; L123-F125 HydrophobicContact CB-CE2 3.52Å; L123-F125 HydrophobicContact CB-CG 4.49Å; L123-F125 HydrophobicContact CB-CZ 3.65Å; L123-F125 HydrophobicContact CD1-CE2 3.59Å; L123-F125 HydrophobicContact CD1-CZ 3.83Å; L123-F125 HydrophobicContact CG-CE2 4.17Å; L123-F125 HydrophobicContact CG-CZ 4.23Å; L123-F125 PolarHBondContact O-N 3.27Å; F125-Y127 HydrophobicContact CB-CD2 3.69Å; F125-Y127 HydrophobicContact CB-CE2 3.35Å; F125-Y127 HydrophobicContact CB-CG 4.44Å; F125-Y127 AromaticContact CD2-CE2 3.9Å; F125-Y127 HydrophobicContact CD2-CE2 3.9Å; F125-Y127 AromaticContact CG-CE2 3.97Å; F125-Y127 HydrophobicContact CG-CE2 3.97Å; F125-Y127 PolarHBondContact O-N 3.38Å | ||
| 126 | G | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | trans | -80.1 | 65.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F32 D68 Q83 G124 | F32-G126 VanDerWaalsContact CG-CA 3.49Å; D68-G126 PolarHBondContact OD1-N 2.91Å; Q83-G126 PolarHBondContact NE2-O 3.04Å; G124-G126 PolarHBondContact O-N 3.48Å | ||
| 127 | Y | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | trans | -84 | 145.5 | 178.1 | -66 | -55.5 | 0 | 0 | 0 | 112.8 | Y64 Q83 P84 I85 L120 F125 W129 | Y64-Y127 WeakPolarHBondContact CB-OH 3.44Å; Y64-Y127 WeakPolarHBondContact CD1-OH 3.38Å; Q83-Y127 HydrophobicContact CG-CD1 3.74Å; Q83-Y127 HydrophobicContact CG-CE1 3.83Å; Q83-Y127 CarbonylContact O-C 3.51Å; Q83-Y127 VanDerWaalsContact O-CA 3.28Å; Q83-Y127 WeakPolarHBondContact O-CA 3.4Å; P84-Y127 WeakPolarHBondContact O-CD1 3.49Å; I85-Y127 HydrophobicContact CB-CD1 3.71Å; I85-Y127 HydrophobicContact CB-CD2 3.87Å; I85-Y127 HydrophobicContact CB-CE1 3.93Å; I85-Y127 HydrophobicContact CB-CE2 4.04Å; I85-Y127 HydrophobicContact CB-CG 3.71Å; I85-Y127 HydrophobicContact CD1-CE1 3.95Å; I85-Y127 HydrophobicContact CD1-CE2 4.06Å; I85-Y127 HydrophobicContact CG1-CD1 4.41Å; I85-Y127 HydrophobicContact CG1-CD2 4.08Å; I85-Y127 HydrophobicContact CG1-CE1 4.18Å; I85-Y127 HydrophobicContact CG1-CE2 3.79Å; I85-Y127 HydrophobicContact CG1-CG 4.39Å; I85-Y127 HydrophobicContact CG2-CD1 4.27Å; I85-Y127 HydrophobicContact CG2-CD2 3.85Å; I85-Y127 HydrophobicContact CG2-CE2 4.43Å; I85-Y127 HydrophobicContact CG2-CG 3.77Å; L120-Y127 HydrophobicContact CB-CE2 4.48Å; L120-Y127 HydrophobicContact CD2-CE2 4.41Å; F125-Y127 HydrophobicContact CB-CD2 3.69Å; F125-Y127 HydrophobicContact CB-CE2 3.35Å; F125-Y127 HydrophobicContact CB-CG 4.44Å; F125-Y127 AromaticContact CD2-CE2 3.9Å; F125-Y127 HydrophobicContact CD2-CE2 3.9Å; F125-Y127 AromaticContact CG-CE2 3.97Å; F125-Y127 HydrophobicContact CG-CE2 3.97Å; F125-Y127 PolarHBondContact O-N 3.38Å; Y127-W129 VanDerWaalsContact C-N 3.34Å; Y127-W129 HydrophobicContact CD2-CH2 4.22Å; Y127-W129 AromaticContact CD2-CZ2 3.8Å; Y127-W129 HydrophobicContact CD2-CZ2 3.8Å; Y127-W129 PolarHBondContact O-N 2.99Å; Y127-W129 VanDerWaalsContact O-N 3.08Å | ||
| 128 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -75.8 | 87.1 | 161.7 | -170.2 | -17.1 | 0 | 0 | 0 | 109.5 | F32 V34 L82 Q83 S130 R131 | F32-D128 WeakPolarHBondContact O-CB 3.38Å; V34-D128 PolarHBondContact N-OD2 3.42Å; L82-D128 HydrophobicContact CD1-CB 4.39Å; Q83-D128 PolarHBondContact O-N 3.48Å; D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact OD1-CB 3.31Å; D128-S130 WeakPolarHBondContact OD1-CB 3.33Å; D128-S130 PolarHBondContact OD1-N 3.25Å; D128-S130 PolarHBondContact OD1-OG 2.59Å; D128-R131 HydrophobicContact CB-CG 4.43Å; D128-R131 PolarHBondContact O-N 3.05Å; D128-R131 VanDerWaalsContact O-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CD 3.23Å; D128-R131 IonicContact OD2-NE 2.78Å; D128-R131 PolarHBondContact OD2-NE 2.98Å | ||
| 129 | W | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 15% | 0.148 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -66.8 | -15.3 | 179 | -68.5 | 105.4 | 0 | 0 | 0 | 113.6 | I85 K117 L120 K121 Y127 R131 E132 | I85-W129 HydrophobicContact CG2-CD2 4.34Å; I85-W129 HydrophobicContact CG2-CE3 3.7Å; I85-W129 HydrophobicContact CG2-CH2 3.77Å; I85-W129 HydrophobicContact CG2-CZ2 4.39Å; I85-W129 HydrophobicContact CG2-CZ3 3.37Å; K117-W129 HydrophobicContact CD-CE3 4.4Å; K117-W129 HydrophobicContact CD-CZ3 4.02Å; K117-W129 HydrophobicContact CG-CE3 4.41Å; K117-W129 HydrophobicContact CG-CH2 3.78Å; K117-W129 HydrophobicContact CG-CZ3 3.69Å; L120-W129 HydrophobicContact CB-CH2 4.15Å; L120-W129 HydrophobicContact CB-CZ2 4.33Å; L120-W129 HydrophobicContact CD1-CH2 4.21Å; K121-W129 HydrophobicContact CG-CH2 4.45Å; K121-W129 HydrophobicContact CG-CZ2 3.61Å; Y127-W129 VanDerWaalsContact C-N 3.34Å; Y127-W129 HydrophobicContact CD2-CH2 4.22Å; Y127-W129 AromaticContact CD2-CZ2 3.8Å; Y127-W129 HydrophobicContact CD2-CZ2 3.8Å; Y127-W129 PolarHBondContact O-N 2.99Å; Y127-W129 VanDerWaalsContact O-N 3.08Å; W129-R131 PolarHBondContact O-N 3.36Å; W129-E132 WeakPolarHBondContact O-CB 3.36Å; W129-E132 PolarHBondContact O-N 3.06Å |
| 130 | S | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 23.3 Ų | 23.3 | 39% | 0.392 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -69.7 | -16 | 172.8 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | D128 | D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact OD1-CB 3.31Å; D128-S130 WeakPolarHBondContact OD1-CB 3.33Å; D128-S130 PolarHBondContact OD1-N 3.25Å; D128-S130 PolarHBondContact OD1-OG 2.59Å |
| 131 | R | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 6% | 0.057 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -105.4 | 15.3 | 178.7 | -60 | 174.1 | 179.2 | -97.2 | 0.6 | 113.7 | V34 E36 L82 D128 W129 L133 Y511 T512 P514 | V34-R131 PolarHBondContact O-NE 3.45Å; V34-R131 PolarHBondContact O-NH2 3.5Å; E36-R131 IonicContact OE1-CZ 2.9Å; E36-R131 IonicContact OE1-NH1 3.18Å; E36-R131 IonicContact OE1-NH2 2.73Å; E36-R131 PolarHBondContact OE1-NH2 3.31Å; E36-R131 IonicContact OE2-NH2 3.98Å; L82-R131 VanDerWaalsContact CD1-CD 3.41Å; D128-R131 HydrophobicContact CB-CG 4.43Å; D128-R131 PolarHBondContact O-N 3.05Å; D128-R131 VanDerWaalsContact O-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CD 3.23Å; D128-R131 IonicContact OD2-NE 2.78Å; D128-R131 PolarHBondContact OD2-NE 2.98Å; W129-R131 PolarHBondContact O-N 3.36Å; R131-L133 PolarHBondContact O-N 2.98Å; R131-Y511 WeakPolarHBondContact CD-O 3.33Å; R131-Y511 PolarHBondContact NH1-O 3.49Å; R131-Y511 WeakPolarHBondContact O-CD1 3.17Å; R131-Y511 WeakPolarHBondContact O-CE1 3.35Å; R131-T512 PolarHBondContact NH1-O 3.45Å; R131-P514 HydrophobicContact CB-CG 3.87Å; R131-P514 HydrophobicContact CG-CG 3.88Å |
| 132 | E | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 25 Ų | 25 | 22% | 0.224 | 13% | 0.127 | C | C | . | . | trans | -60.3 | 134.8 | 177.8 | -177.9 | -178.9 | -154.3 | 0 | 0 | 111.7 | I85 W87 K117 W129 | I85-E132 WeakPolarHBondContact O-CA 3.44Å; W87-E132 PolarHBondContact NE1-OE1 3.03Å; K117-E132 IonicContact NZ-OE1 3.37Å; K117-E132 PolarHBondContact NZ-OE1 3.11Å; K117-E132 IonicContact NZ-OE2 2.82Å; K117-E132 PolarHBondContact NZ-OE2 3.29Å; W129-E132 WeakPolarHBondContact O-CB 3.36Å; W129-E132 PolarHBondContact O-N 3.06Å | ||
| 133 | L | 98.7 | Very high | 98.7 | Very high | 16 Ų | 16 | 23.9 Ų | 23.9 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.9 | 175.6 | -67.1 | 172 | 0 | 0 | 0 | 110.4 | G86 W87 R131 Y140 R510 Y511 P514 | G86-L133 CarbonylContact C-O 3.48Å; G86-L133 WeakPolarHBondContact CA-O 3.38Å; W87-L133 VanDerWaalsContact CD1-O 3.3Å; W87-L133 PolarHBondContact N-O 3.02Å; R131-L133 PolarHBondContact O-N 2.98Å; L133-Y140 HydrophobicContact CB-CD2 4.37Å; L133-Y140 HydrophobicContact CD1-CD2 4.05Å; L133-Y140 HydrophobicContact CD1-CE2 3.93Å; L133-Y140 HydrophobicContact CD2-CD2 4.25Å; L133-Y140 HydrophobicContact CG-CD2 4.47Å; L133-R510 HydrophobicContact CD1-CB 3.76Å; L133-R510 HydrophobicContact CD1-CG 3.55Å; L133-R510 HydrophobicContact CD2-CG 4.37Å; L133-Y511 HydrophobicContact CB-CE1 3.97Å; L133-Y511 HydrophobicContact CD1-CD1 3.54Å; L133-Y511 HydrophobicContact CD1-CE1 3.72Å; L133-Y511 HydrophobicContact CD1-CG 4.34Å; L133-Y511 HydrophobicContact CG-CD1 3.98Å; L133-Y511 HydrophobicContact CG-CE1 3.91Å; L133-P514 HydrophobicContact CD1-CB 4.38Å; L133-P514 HydrophobicContact CD2-CB 3.66Å; L133-P514 HydrophobicContact CG-CB 4.11Å |
| 134 | A | 98.6 | Very high | 98.7 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | W87 I113 C136 T137 | W87-A134 HydrophobicContact CB-CB 4.34Å; I113-A134 HydrophobicContact CD1-CB 3.99Å; A134-C136 PolarHBondContact O-N 3.37Å; A134-C136 VanDerWaalsContact O-N 3.12Å; A134-T137 HydrophobicContact CB-CG2 4.05Å; A134-T137 WeakPolarHBondContact O-CB 3.29Å; A134-T137 PolarHBondContact O-N 3.22Å; A134-T137 PolarHBondContact O-OG1 2.89Å |
| 135 | T | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.1 | -170.6 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | L49 W87 D88 A89 T137 Y140 E503 | L49-T135 HydrophobicContact CD1-CG2 4.37Å; W87-T135 WeakPolarHBondContact O-CG2 3.36Å; W87-T135 PolarHBondContact O-N 2.71Å; W87-T135 PolarHBondContact O-OG1 3.2Å; D88-T135 WeakPolarHBondContact CA-OG1 3.47Å; A89-T135 PolarHBondContact N-OG1 2.8Å; T135-T137 PolarHBondContact O-N 3.27Å; T135-Y140 HydrophobicContact CG2-CD1 4.06Å; T135-Y140 HydrophobicContact CG2-CE1 3.65Å; T135-Y140 HydrophobicContact CG2-CE2 4.28Å; T135-E503 HydrophobicContact CG2-CB 3.88Å |
| 136 | C | 98.4 | Very high | 98.7 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.1 | 175.8 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | A89 F90 A134 Y141 W436 | A89-C136 HydrophobicContact CB-CB 3.74Å; A89-C136 WeakPolarHBondContact CB-SG 3.43Å; F90-C136 HydrophobicContact CD1-CB 3.81Å; F90-C136 HydrophobicContact CD2-CB 4.27Å; F90-C136 HydrophobicContact CE1-CB 3.67Å; F90-C136 VanDerWaalsContact CE2-CA 3.47Å; F90-C136 HydrophobicContact CE2-CB 4.18Å; F90-C136 HydrophobicContact CG-CB 4.11Å; F90-C136 VanDerWaalsContact CZ-CA 3.48Å; F90-C136 HydrophobicContact CZ-CB 3.88Å; A134-C136 PolarHBondContact O-N 3.37Å; A134-C136 VanDerWaalsContact O-N 3.12Å; C136-Y141 WeakPolarHBondContact O-CE1 3.47Å; C136-W436 HydrophobicContact CB-CZ2 4.01Å |
| 137 | T | 98.7 | Very high | 98.7 | Very high | 30 Ų | 30 | 26 Ų | 26 | 18% | 0.184 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -86.7 | 142 | -177.8 | 60 | 0 | 0 | 0 | 0 | 112 | Y110 A134 T135 E139 Y140 Y141 | Y110-T137 HydrophobicContact CE1-CG2 4.4Å; A134-T137 HydrophobicContact CB-CG2 4.05Å; A134-T137 WeakPolarHBondContact O-CB 3.29Å; A134-T137 PolarHBondContact O-N 3.22Å; A134-T137 PolarHBondContact O-OG1 2.89Å; T135-T137 PolarHBondContact O-N 3.27Å; T137-E139 PolarHBondContact O-N 3.11Å; T137-Y140 WeakPolarHBondContact O-CB 3.47Å; T137-Y140 PolarHBondContact O-N 3.06Å; T137-Y141 VanDerWaalsContact C-CE1 3.44Å; T137-Y141 WeakPolarHBondContact O-CD1 3.18Å; T137-Y141 PolarHBondContact O-N 3.35Å |
| 138 | P | 98.6 | Very high | 98.7 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 20% | 0.201 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -29.8 | 179.2 | -18.2 | 27 | 0 | 0 | 0 | 113.8 | Y140 Y141 R142 P459 | P138-Y140 PolarHBondContact O-N 3.31Å; P138-Y141 HydrophobicContact CB-CE1 4.03Å; P138-Y141 HydrophobicContact CB-CE2 4.35Å; P138-Y141 HydrophobicContact CG-CE1 3.96Å; P138-Y141 WeakPolarHBondContact CG-OH 2.94Å; P138-Y141 VanDerWaalsContact N-CE1 3.28Å; P138-R142 WeakPolarHBondContact O-CB 3.46Å; P138-R142 WeakPolarHBondContact O-CD 3.46Å; P138-R142 WeakPolarHBondContact O-CG 3.44Å; P138-R142 PolarHBondContact O-N 3.39Å; P138-R142 VanDerWaalsContact O-N 3.15Å; P138-P459 HydrophobicContact CB-CG 4.12Å |
| 139 | E | 98.6 | Very high | 98.7 | Very high | 113 Ų | 113 | 25.9 Ų | 25.9 | 53% | 0.528 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -59.3 | -28.4 | 174.6 | -67.1 | 76.8 | -171 | 0 | 0 | 112.2 | T137 W143 | T137-E139 PolarHBondContact O-N 3.11Å; E139-W143 PolarHBondContact O-NE1 3.09Å; E139-W143 VanDerWaalsContact O-NE1 3.12Å |
| 140 | Y | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -90.1 | -64.3 | 174.4 | -174.5 | -89.2 | 0 | 0 | 0 | 111.8 | L133 T135 T137 P138 R142 W143 E503 W506 Y507 R510 | L133-Y140 HydrophobicContact CB-CD2 4.37Å; L133-Y140 HydrophobicContact CD1-CD2 4.05Å; L133-Y140 HydrophobicContact CD1-CE2 3.93Å; L133-Y140 HydrophobicContact CD2-CD2 4.25Å; L133-Y140 HydrophobicContact CG-CD2 4.47Å; T135-Y140 HydrophobicContact CG2-CD1 4.06Å; T135-Y140 HydrophobicContact CG2-CE1 3.65Å; T135-Y140 HydrophobicContact CG2-CE2 4.28Å; T137-Y140 WeakPolarHBondContact O-CB 3.47Å; T137-Y140 PolarHBondContact O-N 3.06Å; P138-Y140 PolarHBondContact O-N 3.31Å; Y140-R142 PolarHBondContact O-N 3.28Å; Y140-R142 VanDerWaalsContact O-N 3.11Å; Y140-W143 VanDerWaalsContact O-CD1 3.3Å; Y140-W143 PolarHBondContact O-N 3.28Å; Y140-W143 VanDerWaalsContact O-N 3.17Å; Y140-E503 HydrophobicContact CE1-CB 3.87Å; Y140-E503 HydrophobicContact CE1-CG 4.11Å; Y140-E503 PolarHBondContact OH-O 3.15Å; Y140-W506 HydrophobicContact CD1-CH2 4.13Å; Y140-W506 AromaticContact CD1-CZ2 3.72Å; Y140-W506 HydrophobicContact CD1-CZ2 3.72Å; Y140-W506 AromaticContact CD2-CH2 3.95Å; Y140-W506 HydrophobicContact CD2-CH2 3.95Å; Y140-W506 HydrophobicContact CD2-CZ2 4.3Å; Y140-W506 AromaticContact CE1-CE2 3.65Å; Y140-W506 AromaticContact CE1-CH2 3.85Å; Y140-W506 HydrophobicContact CE1-CH2 3.85Å; Y140-W506 AromaticContact CE1-CZ2 3.2Å; Y140-W506 HydrophobicContact CE1-CZ2 3.2Å; Y140-W506 HydrophobicContact CE2-CE3 4.48Å; Y140-W506 AromaticContact CE2-CH2 3.67Å; Y140-W506 HydrophobicContact CE2-CH2 3.67Å; Y140-W506 AromaticContact CE2-CZ2 3.87Å; Y140-W506 HydrophobicContact CE2-CZ2 3.87Å; Y140-W506 HydrophobicContact CE2-CZ3 4.04Å; Y140-W506 HydrophobicContact CG-CH2 4.17Å; Y140-W506 HydrophobicContact CG-CZ2 4.23Å; Y140-W506 AromaticContact CZ-CE2 3.52Å; Y140-W506 AromaticContact CZ-CH2 3.61Å; Y140-W506 AromaticContact CZ-CZ2 3.29Å; Y140-W506 WeakPolarHBondContact O-CH2 3.38Å; Y140-Y507 WeakPolarHBondContact OH-CA 3.21Å; Y140-Y507 VanDerWaalsContact OH-CB 3.22Å; Y140-Y507 WeakPolarHBondContact OH-CB 3.31Å; Y140-Y507 PolarHBondContact OH-N 3.07Å; Y140-R510 HydrophobicContact CD2-CG 4.05Å; Y140-R510 HydrophobicContact CE2-CB 4.02Å; Y140-R510 HydrophobicContact CE2-CG 3.92Å |
| 141 | Y | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71 | -13.8 | -166.9 | 69.2 | -110.3 | 0 | 0 | 0 | 114 | F90 C136 T137 P138 W143 E144 Q145 A438 P459 I461 L462 | F90-Y141 AromaticContact CE2-CD1 3.81Å; F90-Y141 HydrophobicContact CE2-CD1 3.81Å; F90-Y141 HydrophobicContact CE2-CE1 4.48Å; F90-Y141 HydrophobicContact CE2-CG 4.34Å; F90-Y141 AromaticContact CZ-CD1 3.84Å; F90-Y141 HydrophobicContact CZ-CD1 3.84Å; F90-Y141 HydrophobicContact CZ-CE1 4.04Å; C136-Y141 WeakPolarHBondContact O-CE1 3.47Å; T137-Y141 VanDerWaalsContact C-CE1 3.44Å; T137-Y141 WeakPolarHBondContact O-CD1 3.18Å; T137-Y141 PolarHBondContact O-N 3.35Å; P138-Y141 HydrophobicContact CB-CE1 4.03Å; P138-Y141 HydrophobicContact CB-CE2 4.35Å; P138-Y141 HydrophobicContact CG-CE1 3.96Å; P138-Y141 WeakPolarHBondContact CG-OH 2.94Å; P138-Y141 VanDerWaalsContact N-CE1 3.28Å; Y141-W143 PolarHBondContact O-N 2.98Å; Y141-W143 VanDerWaalsContact O-N 3.12Å; Y141-E144 WeakPolarHBondContact O-CG 3.39Å; Y141-E144 PolarHBondContact O-N 3.42Å; Y141-Q145 HydrophobicContact CD2-CG 4.38Å; Y141-Q145 WeakPolarHBondContact O-CG 3.45Å; Y141-Q145 PolarHBondContact O-N 3.31Å; Y141-Q145 VanDerWaalsContact O-N 3.07Å; Y141-A438 HydrophobicContact CD2-CB 4.19Å; Y141-A438 HydrophobicContact CG-CB 3.99Å; Y141-P459 HydrophobicContact CE2-CB 4.02Å; Y141-I461 WeakPolarHBondContact OH-CA 3.36Å; Y141-L462 PolarHBondContact OH-N 3.18Å |
| 142 | R | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 26.7 Ų | 26.7 | 34% | 0.336 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -54.1 | -31.8 | 171.5 | 67.6 | -176.7 | -66.5 | 162.2 | 3.1 | 112.6 | P138 Y140 K146 P459 | P138-R142 WeakPolarHBondContact O-CB 3.46Å; P138-R142 WeakPolarHBondContact O-CD 3.46Å; P138-R142 WeakPolarHBondContact O-CG 3.44Å; P138-R142 PolarHBondContact O-N 3.39Å; P138-R142 VanDerWaalsContact O-N 3.15Å; Y140-R142 PolarHBondContact O-N 3.28Å; Y140-R142 VanDerWaalsContact O-N 3.11Å; R142-K146 WeakPolarHBondContact O-CB 3.39Å; R142-K146 PolarHBondContact O-N 2.9Å; R142-P459 HydrophobicContact CB-CB 3.69Å; R142-P459 HydrophobicContact CB-CG 4.04Å |
| 143 | W | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 8% | 0.076 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.3 | -41.1 | -173.4 | -61.3 | 118.5 | 0 | 0 | 0 | 112.3 | E139 Y140 Y141 Q145 K146 F147 W506 K517 G519 M520 | E139-W143 PolarHBondContact O-NE1 3.09Å; E139-W143 VanDerWaalsContact O-NE1 3.12Å; Y140-W143 VanDerWaalsContact O-CD1 3.3Å; Y140-W143 PolarHBondContact O-N 3.28Å; Y140-W143 VanDerWaalsContact O-N 3.17Å; Y141-W143 PolarHBondContact O-N 2.98Å; Y141-W143 VanDerWaalsContact O-N 3.12Å; W143-Q145 VanDerWaalsContact C-N 3.32Å; W143-K146 PolarHBondContact O-N 2.96Å; W143-F147 WeakPolarHBondContact O-CB 3.33Å; W143-F147 PolarHBondContact O-N 3.11Å; W143-W506 HydrophobicContact CB-CH2 3.7Å; W143-W506 HydrophobicContact CB-CZ2 4.28Å; W143-W506 HydrophobicContact CB-CZ3 4.26Å; W143-W506 HydrophobicContact CG-CH2 4.34Å; W143-K517 VanDerWaalsContact CH2-O 3.27Å; W143-K517 WeakPolarHBondContact CH2-O 3.33Å; W143-G519 VanDerWaalsContact CE3-C 3.46Å; W143-G519 VanDerWaalsContact CH2-C 3.47Å; W143-G519 WeakPolarHBondContact CH2-O 3.28Å; W143-G519 VanDerWaalsContact CZ2-O 3.28Å; W143-G519 WeakPolarHBondContact CZ2-O 3.14Å; W143-G519 VanDerWaalsContact CZ3-CA 3.44Å; W143-M520 HydrophobicContact CB-CB 3.98Å; W143-M520 HydrophobicContact CB-CG 3.82Å; W143-M520 HydrophobicContact CD2-CB 4.35Å; W143-M520 HydrophobicContact CE3-CB 4.22Å; W143-M520 HydrophobicContact CG-CB 4.28Å; W143-M520 HydrophobicContact CG-CG 4.43Å |
| 144 | E | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69 | -32.5 | 171.6 | 57.8 | 178.7 | -132.6 | 0 | 0 | 112.1 | Y141 F147 F148 A438 M502 E503 W506 | Y141-E144 WeakPolarHBondContact O-CG 3.39Å; Y141-E144 PolarHBondContact O-N 3.42Å; E144-F147 PolarHBondContact O-N 3Å; E144-F148 VanDerWaalsContact O-CB 3.24Å; E144-F148 WeakPolarHBondContact O-CB 3.34Å; E144-F148 PolarHBondContact O-N 3.44Å; E144-A438 VanDerWaalsContact OE1-CB 3.3Å; E144-A438 WeakPolarHBondContact OE1-CB 3.43Å; E144-M502 HydrophobicContact CB-CG 4.1Å; E144-M502 HydrophobicContact CG-CG 4.35Å; E144-E503 VanDerWaalsContact OE2-CA 3.3Å; E144-E503 WeakPolarHBondContact OE2-CA 3.35Å; E144-E503 WeakPolarHBondContact OE2-CG 3.41Å; E144-E503 PolarHBondContact OE2-N 3.47Å; E144-W506 HydrophobicContact CB-CZ2 4.1Å; E144-W506 HydrophobicContact CG-CZ2 4.29Å; E144-W506 PolarHBondContact OE2-NE1 3.15Å |
| 145 | Q | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -52.2 | 169.7 | -75.1 | -179.6 | -13.3 | 0 | 0 | 110.2 | Y141 W143 F147 F148 T149 P439 P441 L458 P459 V460 F498 | Y141-Q145 HydrophobicContact CD2-CG 4.38Å; Y141-Q145 WeakPolarHBondContact O-CG 3.45Å; Y141-Q145 PolarHBondContact O-N 3.31Å; Y141-Q145 VanDerWaalsContact O-N 3.07Å; W143-Q145 VanDerWaalsContact C-N 3.32Å; Q145-F147 VanDerWaalsContact C-N 3.33Å; Q145-F147 PolarHBondContact O-N 2.89Å; Q145-F148 PolarHBondContact O-N 3.38Å; Q145-T149 WeakPolarHBondContact O-CG2 3.38Å; Q145-T149 PolarHBondContact O-N 3.26Å; Q145-T149 VanDerWaalsContact O-N 3.11Å; Q145-P439 PolarHBondContact NE2-O 3.44Å; Q145-P441 HydrophobicContact CB-CB 4Å; Q145-P441 HydrophobicContact CB-CG 3.89Å; Q145-P441 HydrophobicContact CG-CB 4.24Å; Q145-P441 HydrophobicContact CG-CG 4.19Å; Q145-P441 WeakPolarHBondContact O-CG 3.4Å; Q145-L458 HydrophobicContact CB-CD2 4.12Å; Q145-P459 VanDerWaalsContact OE1-CA 3.25Å; Q145-V460 PolarHBondContact NE2-O 3.31Å; Q145-F498 HydrophobicContact CG-CE2 4.33Å |
| 146 | K | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 177.1 | -176.4 | 67.9 | 174.9 | 74.6 | 0 | 111.3 | R142 W143 F148 T149 E150 D455 L458 | R142-K146 WeakPolarHBondContact O-CB 3.39Å; R142-K146 PolarHBondContact O-N 2.9Å; W143-K146 PolarHBondContact O-N 2.96Å; K146-F148 VanDerWaalsContact C-N 3.35Å; K146-F148 PolarHBondContact O-N 3.43Å; K146-T149 PolarHBondContact O-N 2.88Å; K146-T149 PolarHBondContact O-OG1 2.9Å; K146-E150 IonicContact NZ-OE1 3.9Å; K146-E150 PolarHBondContact NZ-OE1 3.49Å; K146-E150 PolarHBondContact O-N 2.91Å; K146-D455 WeakPolarHBondContact CE-OD1 3.24Å; K146-D455 IonicContact NZ-OD1 3.19Å; K146-L458 HydrophobicContact CB-CD1 4.13Å; K146-L458 HydrophobicContact CD-CD1 3.7Å |
| 147 | F | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | -179.1 | -163.6 | -120 | 0 | 0 | 0 | 111.9 | W143 E144 Q145 T149 E150 L151 M520 F552 L555 M556 A559 M561 | W143-F147 WeakPolarHBondContact O-CB 3.33Å; W143-F147 PolarHBondContact O-N 3.11Å; E144-F147 PolarHBondContact O-N 3Å; Q145-F147 VanDerWaalsContact C-N 3.33Å; Q145-F147 PolarHBondContact O-N 2.89Å; F147-T149 VanDerWaalsContact C-N 3.32Å; F147-T149 PolarHBondContact O-N 3.47Å; F147-E150 WeakPolarHBondContact O-CA 3.49Å; F147-E150 WeakPolarHBondContact O-CB 3.4Å; F147-E150 PolarHBondContact O-N 3.31Å; F147-L151 HydrophobicContact CD1-CD1 3.82Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.86Å; F147-L151 HydrophobicContact CE1-CD2 4.1Å; F147-L151 HydrophobicContact CE1-CG 4.11Å; F147-L151 HydrophobicContact CZ-CD2 4.16Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 3.45Å; F147-M520 HydrophobicContact CB-SD 4.11Å; F147-M520 HydrophobicContact CD2-SD 4.3Å; F147-M520 HydrophobicContact CG-SD 4.13Å; F147-F552 HydrophobicContact CD1-CD1 4.42Å; F147-F552 AromaticContact CD1-CE1 3.41Å; F147-F552 HydrophobicContact CD1-CE1 3.41Å; F147-F552 VanDerWaalsContact CD1-CE1 3.41Å; F147-F552 AromaticContact CD1-CZ 3.61Å; F147-F552 HydrophobicContact CD1-CZ 3.61Å; F147-F552 HydrophobicContact CE1-CD1 4.06Å; F147-F552 AromaticContact CE1-CE1 3.47Å; F147-F552 HydrophobicContact CE1-CE1 3.47Å; F147-F552 VanDerWaalsContact CE1-CE1 3.47Å; F147-F552 AromaticContact CE1-CZ 3.97Å; F147-F552 HydrophobicContact CE1-CZ 3.97Å; F147-F552 HydrophobicContact CG-CE1 4.5Å; F147-L555 HydrophobicContact CE1-CB 3.87Å; F147-L555 HydrophobicContact CE1-CD1 4.27Å; F147-L555 HydrophobicContact CZ-CB 3.84Å; F147-M556 HydrophobicContact CE1-CG 4.5Å; F147-M556 HydrophobicContact CZ-CG 4.21Å; F147-A559 HydrophobicContact CE2-CB 3.88Å; F147-A559 HydrophobicContact CZ-CB 4.43Å; F147-M561 HydrophobicContact CD2-CE 4.02Å; F147-M561 HydrophobicContact CE2-CE 3.99Å; F147-M561 HydrophobicContact CE2-SD 4.25Å |
| 148 | F | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 174.3 | -172.9 | -94.3 | 0 | 0 | 0 | 112.4 | E144 Q145 K146 E150 L151 Y152 V157 W199 I201 V430 I440 P441 M442 F498 | E144-F148 VanDerWaalsContact O-CB 3.24Å; E144-F148 WeakPolarHBondContact O-CB 3.34Å; E144-F148 PolarHBondContact O-N 3.44Å; Q145-F148 PolarHBondContact O-N 3.38Å; K146-F148 VanDerWaalsContact C-N 3.35Å; K146-F148 PolarHBondContact O-N 3.43Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 2.92Å; F148-L151 PolarHBondContact O-N 3.37Å; F148-Y152 PolarHBondContact O-N 3Å; F148-V157 HydrophobicContact CD2-CG2 4.03Å; F148-V157 HydrophobicContact CE1-CG1 3.81Å; F148-V157 HydrophobicContact CE2-CB 4.43Å; F148-V157 HydrophobicContact CE2-CG1 3.74Å; F148-V157 HydrophobicContact CE2-CG2 3.76Å; F148-V157 HydrophobicContact CZ-CB 4.32Å; F148-V157 HydrophobicContact CZ-CG1 3.27Å; F148-V157 HydrophobicContact CZ-CG2 4.1Å; F148-W199 HydrophobicContact CZ-CB 4.07Å; F148-W199 HydrophobicContact CZ-CD2 4.43Å; F148-W199 HydrophobicContact CZ-CE3 4.48Å; F148-W199 HydrophobicContact CZ-CG 4.28Å; F148-I201 HydrophobicContact CD2-CD1 4.27Å; F148-I201 HydrophobicContact CE2-CD1 4.32Å; F148-I201 HydrophobicContact CE2-CG1 4.16Å; F148-V430 HydrophobicContact CE2-CG2 3.93Å; F148-V430 HydrophobicContact CZ-CG2 4.45Å; F148-I440 HydrophobicContact CE1-CG2 3.9Å; F148-I440 HydrophobicContact CZ-CG2 4.28Å; F148-P441 HydrophobicContact CB-CG 4.27Å; F148-P441 HydrophobicContact CD1-CG 3.91Å; F148-P441 HydrophobicContact CG-CG 4.49Å; F148-M442 HydrophobicContact CE1-CG 4.02Å; F148-M442 HydrophobicContact CE1-SD 4.13Å; F148-F498 HydrophobicContact CB-CZ 3.78Å; F148-F498 HydrophobicContact CD1-CE1 4.32Å; F148-F498 AromaticContact CD1-CZ 3.94Å; F148-F498 HydrophobicContact CD1-CZ 3.94Å; F148-F498 AromaticContact CD2-CE1 3.54Å; F148-F498 HydrophobicContact CD2-CE1 3.54Å; F148-F498 AromaticContact CD2-CZ 3.64Å; F148-F498 HydrophobicContact CD2-CZ 3.64Å; F148-F498 HydrophobicContact CE1-CE1 4.38Å; F148-F498 HydrophobicContact CE1-CZ 4.39Å; F148-F498 AromaticContact CE2-CE1 3.64Å; F148-F498 HydrophobicContact CE2-CE1 3.64Å; F148-F498 HydrophobicContact CE2-CZ 4.14Å; F148-F498 AromaticContact CG-CE1 3.9Å; F148-F498 HydrophobicContact CG-CE1 3.9Å; F148-F498 AromaticContact CG-CZ 3.51Å; F148-F498 HydrophobicContact CG-CZ 3.51Å; F148-F498 HydrophobicContact CZ-CE1 4.03Å; F148-F498 HydrophobicContact CZ-CZ 4.46Å |
| 149 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -34.3 | 174.6 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | Q145 K146 F147 K153 P441 P452 L458 | Q145-T149 WeakPolarHBondContact O-CG2 3.38Å; Q145-T149 PolarHBondContact O-N 3.26Å; Q145-T149 VanDerWaalsContact O-N 3.11Å; K146-T149 PolarHBondContact O-N 2.88Å; K146-T149 PolarHBondContact O-OG1 2.9Å; F147-T149 VanDerWaalsContact C-N 3.32Å; F147-T149 PolarHBondContact O-N 3.47Å; T149-K153 WeakPolarHBondContact O-CD 3.14Å; T149-K153 VanDerWaalsContact O-CG 3.26Å; T149-K153 WeakPolarHBondContact O-CG 3.46Å; T149-K153 PolarHBondContact O-N 3.47Å; T149-P441 HydrophobicContact CG2-CB 4.02Å; T149-P441 HydrophobicContact CG2-CG 3.84Å; T149-P452 HydrophobicContact CG2-CB 3.81Å; T149-L458 HydrophobicContact CG2-CD1 4.49Å |
| 150 | E | 98.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.9 | -42.4 | 177 | -68.3 | 174.6 | -170.5 | 0 | 0 | 111.6 | K146 F147 F148 Y152 K153 K154 | K146-E150 IonicContact NZ-OE1 3.9Å; K146-E150 PolarHBondContact NZ-OE1 3.49Å; K146-E150 PolarHBondContact O-N 2.91Å; F147-E150 WeakPolarHBondContact O-CA 3.49Å; F147-E150 WeakPolarHBondContact O-CB 3.4Å; F147-E150 PolarHBondContact O-N 3.31Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 2.92Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 3.32Å; E150-K153 PolarHBondContact O-N 2.88Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 2.99Å |
| 151 | L | 98.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.8 | -65.1 | 176.7 | 0 | 0 | 0 | 111.5 | F147 F148 K154 G155 L156 V157 L555 | F147-L151 HydrophobicContact CD1-CD1 3.82Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.86Å; F147-L151 HydrophobicContact CE1-CD2 4.1Å; F147-L151 HydrophobicContact CE1-CG 4.11Å; F147-L151 HydrophobicContact CZ-CD2 4.16Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 3.45Å; F148-L151 PolarHBondContact O-N 3.37Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 2.79Å; L151-G155 PolarHBondContact O-N 2.87Å; L151-L156 HydrophobicContact CB-CB 4.35Å; L151-L156 HydrophobicContact CD2-CD1 3.93Å; L151-L156 PolarHBondContact O-N 3.4Å; L151-V157 HydrophobicContact CB-CG2 3.71Å; L151-L555 HydrophobicContact CD1-CD1 3.86Å; L151-L555 HydrophobicContact CD2-CD1 4.06Å; L151-L555 HydrophobicContact CD2-CD2 4.01Å; L151-L555 HydrophobicContact CD2-CG 4.44Å |
| 152 | Y | 98.6 | Very high | 96 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 171.6 | 178.8 | -83.8 | 0 | 0 | 0 | 111.9 | F148 E150 K154 G155 V157 W199 M442 P452 | F148-Y152 PolarHBondContact O-N 3Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 3.32Å; Y152-K154 PolarHBondContact O-N 2.96Å; Y152-G155 PolarHBondContact O-N 3.31Å; Y152-V157 HydrophobicContact CD2-CB 4.15Å; Y152-V157 HydrophobicContact CD2-CG1 4.06Å; Y152-W199 HydrophobicContact CD2-CH2 4.45Å; Y152-W199 AromaticContact CD2-CZ3 3.95Å; Y152-W199 HydrophobicContact CD2-CZ3 3.95Å; Y152-W199 HydrophobicContact CE2-CH2 4.03Å; Y152-W199 AromaticContact CE2-CZ3 3.79Å; Y152-W199 HydrophobicContact CE2-CZ3 3.79Å; Y152-M442 HydrophobicContact CD1-CE 4.38Å; Y152-M442 HydrophobicContact CD2-CE 3.65Å; Y152-M442 HydrophobicContact CD2-SD 4.33Å; Y152-M442 HydrophobicContact CE1-CE 4.29Å; Y152-M442 HydrophobicContact CE2-CE 3.52Å; Y152-M442 HydrophobicContact CG-CE 4.08Å; Y152-M442 HydrophobicContact CG-SD 4.48Å; Y152-P452 HydrophobicContact CD1-CG 3.33Å; Y152-P452 HydrophobicContact CE1-CG 3.76Å; Y152-P452 HydrophobicContact CG-CG 4.01Å |
| 153 | K | 98.3 | Very high | 94.8 | Very high | 125 Ų | 125 | 42.2 Ų | 42.2 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -28.2 | 177.2 | -70.4 | 164.1 | -175.9 | 169.7 | 0 | 112.3 | T149 E150 | T149-K153 WeakPolarHBondContact O-CD 3.14Å; T149-K153 VanDerWaalsContact O-CG 3.26Å; T149-K153 WeakPolarHBondContact O-CG 3.46Å; T149-K153 PolarHBondContact O-N 3.47Å; E150-K153 PolarHBondContact O-N 2.88Å |
| 154 | K | 98.2 | Very high | 93.8 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.5 | 174.2 | -70.4 | -177.9 | 178.2 | -175.6 | 0 | 114.3 | E150 L151 Y152 L156 | E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 2.99Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 2.79Å; Y152-K154 PolarHBondContact O-N 2.96Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 3.42Å |
| 155 | G | 98.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 43 Ų | 43 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 13.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L151 Y152 K202 | L151-G155 PolarHBondContact O-N 2.87Å; Y152-G155 PolarHBondContact O-N 3.31Å; G155-K202 WeakPolarHBondContact O-CE 3.15Å; G155-K202 PolarHBondContact O-NZ 2.9Å |
| 156 | L | 98.6 | Very high | 92.2 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | trans | -91 | -8.6 | 177 | -69 | 173.6 | 0 | 0 | 0 | 113.2 | L151 K154 I201 K202 A205 Y206 L555 | L151-L156 HydrophobicContact CB-CB 4.35Å; L151-L156 HydrophobicContact CD2-CD1 3.93Å; L151-L156 PolarHBondContact O-N 3.4Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 3.42Å; L156-I201 CarbonylContact O-C 3.58Å; L156-I201 WeakPolarHBondContact O-CA 3.23Å; L156-K202 HydrophobicContact CD2-CB 4.15Å; L156-K202 PolarHBondContact O-N 3.4Å; L156-A205 HydrophobicContact CD2-CB 4.24Å; L156-Y206 HydrophobicContact CD1-CE2 4.4Å; L156-Y206 HydrophobicContact CD2-CE2 4.38Å; L156-L555 HydrophobicContact CD1-CD2 3.84Å | ||
| 157 | V | 98.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.2 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | F148 L151 Y152 W199 F200 I201 | F148-V157 HydrophobicContact CD2-CG2 4.03Å; F148-V157 HydrophobicContact CE1-CG1 3.81Å; F148-V157 HydrophobicContact CE2-CB 4.43Å; F148-V157 HydrophobicContact CE2-CG1 3.74Å; F148-V157 HydrophobicContact CE2-CG2 3.76Å; F148-V157 HydrophobicContact CZ-CB 4.32Å; F148-V157 HydrophobicContact CZ-CG1 3.27Å; F148-V157 HydrophobicContact CZ-CG2 4.1Å; L151-V157 HydrophobicContact CB-CG2 3.71Å; Y152-V157 HydrophobicContact CD2-CB 4.15Å; Y152-V157 HydrophobicContact CD2-CG1 4.06Å; V157-W199 HydrophobicContact CG1-CE3 3.6Å; V157-W199 HydrophobicContact CG1-CZ3 4.06Å; V157-F200 VanDerWaalsContact CA-O 3.32Å; V157-F200 WeakPolarHBondContact CA-O 3.44Å; V157-I201 HydrophobicContact CG2-CG1 4.33Å |
| 158 | Y | 97.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 157.6 | 174.3 | 67 | -79 | 0 | 0 | 0 | 111.6 | K160 W199 F200 K202 D427 | Y158-K160 HydrophobicContact CD2-CB 3.97Å; Y158-K160 HydrophobicContact CE2-CB 3.7Å; Y158-K160 HydrophobicContact CE2-CD 4.17Å; Y158-W199 WeakPolarHBondContact O-CA 3.49Å; Y158-F200 HydrophobicContact CD1-CB 4.1Å; Y158-F200 HydrophobicContact CE1-CB 3.51Å; Y158-F200 HydrophobicContact CE1-CG 4.48Å; Y158-F200 HydrophobicContact CE2-CB 4.02Å; Y158-F200 HydrophobicContact CE2-CD2 4.16Å; Y158-F200 HydrophobicContact CE2-CG 4.29Å; Y158-F200 VanDerWaalsContact CZ-CB 3.45Å; Y158-F200 AromaticContact CZ-CG 3.96Å; Y158-F200 PolarHBondContact N-O 3.1Å; Y158-F200 VanDerWaalsContact N-O 3.12Å; Y158-F200 PolarHBondContact O-N 3.36Å; Y158-K202 HydrophobicContact CD1-CD 4.34Å; Y158-K202 HydrophobicContact CD1-CG 3.75Å; Y158-K202 HydrophobicContact CE1-CD 4.47Å; Y158-K202 HydrophobicContact CE1-CG 3.6Å; Y158-D427 HydrophobicContact CE1-CB 4.3Å; Y158-D427 WeakPolarHBondContact CE1-OD2 3.43Å; Y158-D427 WeakPolarHBondContact OH-CB 3.13Å; Y158-D427 PolarHBondContact OH-OD2 3.31Å |
| 159 | K | 95 | Very high | 90.1 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.3 | 173 | -160.2 | 166.3 | -173.4 | 161 | 0 | 109.3 | Q198 W199 E494 | K159-Q198 CarbonylContact C-O 3.51Å; K159-Q198 VanDerWaalsContact CA-O 3.26Å; K159-Q198 WeakPolarHBondContact CA-O 3.4Å; K159-W199 HydrophobicContact CB-CD2 4.2Å; K159-W199 HydrophobicContact CB-CE3 3.87Å; K159-W199 HydrophobicContact CB-CH2 3.88Å; K159-W199 HydrophobicContact CB-CZ2 4.21Å; K159-W199 HydrophobicContact CB-CZ3 3.71Å; K159-W199 HydrophobicContact CD-CD2 4.41Å; K159-W199 HydrophobicContact CD-CH2 4.2Å; K159-W199 HydrophobicContact CD-CZ2 3.72Å; K159-W199 HydrophobicContact CG-CD2 4.32Å; K159-W199 HydrophobicContact CG-CE3 4.49Å; K159-W199 HydrophobicContact CG-CZ2 4.36Å; K159-E494 IonicContact NZ-OE2 2.64Å; K159-E494 PolarHBondContact NZ-OE2 2.94Å |
| 160 | K | 88.5 | Confident | 89.1 | Confident | 95 Ų | 95 | 49.2 Ų | 49.2 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.7 | 177.3 | 174.6 | -176.8 | 175.1 | -171.6 | 0 | 109.8 | Y158 Q198 F200 | Y158-K160 HydrophobicContact CD2-CB 3.97Å; Y158-K160 HydrophobicContact CE2-CB 3.7Å; Y158-K160 HydrophobicContact CE2-CD 4.17Å; K160-Q198 PolarHBondContact N-O 3.16Å; K160-Q198 PolarHBondContact O-N 3.38Å; K160-F200 HydrophobicContact CB-CD2 4.19Å; K160-F200 HydrophobicContact CB-CE2 4.17Å |
| 161 | T | 83.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.7 | 162.4 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | E195 | T161-E195 HydrophobicContact CG2-CB 4.33Å |
| 162 | S | 72.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.4 | 179.4 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | V164 I196 | S162-V164 WeakPolarHBondContact O-CG1 3.21Å; S162-V164 PolarHBondContact O-N 3.05Å; S162-V164 VanDerWaalsContact O-N 3.12Å; S162-I196 PolarHBondContact N-O 3.41Å; S162-I196 PolarHBondContact O-N 2.98Å |
| 163 | A | 74 | Confident | 86.8 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 108 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R193 K194 E195 | A163-R193 PolarHBondContact O-NH1 2.75Å; A163-K194 WeakPolarHBondContact CA-O 3.44Å; A163-E195 HydrophobicContact CB-CG 4.19Å |
| 164 | V | 77.9 | Confident | 85.8 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 156.8 | -173.7 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | S162 W166 V173 R193 K194 I196 | S162-V164 WeakPolarHBondContact O-CG1 3.21Å; S162-V164 PolarHBondContact O-N 3.05Å; S162-V164 VanDerWaalsContact O-N 3.12Å; V164-W166 PolarHBondContact O-N 3.5Å; V164-V173 HydrophobicContact CB-CG1 4.02Å; V164-V173 HydrophobicContact CB-CG2 4.34Å; V164-V173 HydrophobicContact CG2-CG1 4.35Å; V164-V173 HydrophobicContact CG2-CG2 3.72Å; V164-R193 WeakPolarHBondContact O-CA 3.4Å; V164-K194 WeakPolarHBondContact CG2-O 3.22Å; V164-K194 PolarHBondContact N-O 2.76Å; V164-K194 PolarHBondContact O-N 2.7Å; V164-I196 HydrophobicContact CG2-CB 4.19Å; V164-I196 HydrophobicContact CG2-CD1 4.4Å; V164-I196 HydrophobicContact CG2-CG1 4.24Å |
| 165 | N | 79.4 | Confident | 84.6 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 116.7 | 173.2 | -60 | -38.1 | 0 | 0 | 0 | 108.3 | V173 L174 N176 V179 V191 | N165-V173 CarbonylContact O-C 3.52Å; N165-V173 WeakPolarHBondContact O-CA 3.4Å; N165-L174 HydrophobicContact CB-CB 4.11Å; N165-L174 WeakPolarHBondContact CB-O 3.5Å; N165-L174 PolarHBondContact O-N 3.48Å; N165-N176 WeakPolarHBondContact ND2-CA 3.34Å; N165-N176 PolarHBondContact ND2-OD1 2.89Å; N165-V179 HydrophobicContact CB-CG2 3.68Å; N165-V191 HydrophobicContact CB-CG1 3.63Å |
| 166 | W | 85.2 | Confident | 83.4 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 10% | 0.095 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.8 | 179.3 | 176.7 | -93.8 | 0 | 0 | 0 | 109.4 | V164 P168 Q171 T172 V173 V191 E192 K194 I196 | V164-W166 PolarHBondContact O-N 3.5Å; W166-P168 WeakPolarHBondContact O-CD 3.23Å; W166-Q171 HydrophobicContact CH2-CB 4.19Å; W166-Q171 VanDerWaalsContact CH2-O 3.27Å; W166-Q171 WeakPolarHBondContact CH2-O 3.49Å; W166-Q171 VanDerWaalsContact CZ2-C 3.46Å; W166-Q171 VanDerWaalsContact CZ2-CA 3.47Å; W166-Q171 HydrophobicContact CZ2-CB 3.82Å; W166-Q171 HydrophobicContact CZ2-CG 4.44Å; W166-T172 VanDerWaalsContact CE3-C 3.48Å; W166-V173 HydrophobicContact CE3-CG2 3.91Å; W166-V173 HydrophobicContact CZ3-CG2 4.32Å; W166-V191 CarbonylContact O-C 3.59Å; W166-V191 WeakPolarHBondContact O-CA 3.37Å; W166-E192 HydrophobicContact CB-CG 3.96Å; W166-E192 WeakPolarHBondContact CB-O 3.39Å; W166-E192 HydrophobicContact CG-CG 4.14Å; W166-E192 PolarHBondContact N-O 3.06Å; W166-E192 PolarHBondContact O-N 2.7Å; W166-K194 HydrophobicContact CB-CB 3.91Å; W166-K194 HydrophobicContact CD2-CD 3.98Å; W166-K194 HydrophobicContact CE3-CD 4.3Å; W166-K194 HydrophobicContact CG-CB 4.3Å; W166-K194 HydrophobicContact CG-CD 4.11Å; W166-I196 HydrophobicContact CE3-CD1 3.78Å; W166-I196 HydrophobicContact CZ3-CD1 3.87Å |
| 167 | C | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 114 | 169.4 | -177 | 0 | 0 | 0 | 0 | 108.9 | N169 D170 Q171 T172 L174 C184 | C167-N169 VanDerWaalsContact C-N 3.32Å; C167-N169 PolarHBondContact O-N 3.34Å; C167-D170 HydrophobicContact CB-CB 3.97Å; C167-D170 CarbonylContact O-C 3.35Å; C167-D170 VanDerWaalsContact SG-CG 3.56Å; C167-D170 PolarHBondContact SG-N 3.04Å; C167-D170 VanDerWaalsContact SG-N 3.38Å; C167-Q171 VanDerWaalsContact O-CA 3.28Å; C167-Q171 WeakPolarHBondContact O-CA 3.43Å; C167-Q171 PolarHBondContact O-N 3.2Å; C167-T172 PolarHBondContact N-O 3.31Å; C167-T172 PolarHBondContact O-N 3.4Å; C167-L174 HydrophobicContact CB-CD1 3.99Å; C167-L174 HydrophobicContact CB-CG 4.27Å; C167-C184 HydrophobicContact CB-CB 4.31Å |
| 168 | P | 85 | Confident | 81.1 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.2 | -178.6 | 27.8 | -34.1 | 0 | 0 | 0 | 112.8 | W166 Q171 T189 K190 | W166-P168 WeakPolarHBondContact O-CD 3.23Å; P168-Q171 WeakPolarHBondContact O-CG 3.41Å; P168-T189 HydrophobicContact CG-CG2 3.9Å; P168-K190 WeakPolarHBondContact CD-O 3.33Å |
| 169 | N | 82.6 | Confident | 80.1 | Confident | 103 Ų | 103 | 33.8 Ų | 33.8 | 55% | 0.551 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -55.1 | 173.9 | -176.6 | 78.5 | 0 | 0 | 0 | 111 | C167 Q171 T189 | C167-N169 VanDerWaalsContact C-N 3.32Å; C167-N169 PolarHBondContact O-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.29Å; N169-T189 HydrophobicContact CB-CG2 3.83Å; N169-T189 WeakPolarHBondContact CB-OG1 3.36Å |
| 170 | D | 77.1 | Confident | 79.1 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 10.6 | -178.3 | -53.8 | -8.4 | 0 | 0 | 0 | 113.2 | L92 C167 T172 C184 C187 R434 | L92-D170 HydrophobicContact CD1-CB 3.9Å; L92-D170 HydrophobicContact CD2-CB 4.44Å; C167-D170 HydrophobicContact CB-CB 3.97Å; C167-D170 CarbonylContact O-C 3.35Å; C167-D170 VanDerWaalsContact SG-CG 3.56Å; C167-D170 PolarHBondContact SG-N 3.04Å; C167-D170 VanDerWaalsContact SG-N 3.38Å; D170-T172 HydrophobicContact CB-CG2 4Å; D170-T172 WeakPolarHBondContact O-CB 3.49Å; D170-T172 WeakPolarHBondContact O-CG2 3.25Å; D170-T172 PolarHBondContact O-N 2.93Å; D170-C184 PolarHBondContact OD2-SG 3.06Å; D170-C187 VanDerWaalsContact CG-SG 3.59Å; D170-C187 PolarHBondContact OD1-SG 3.03Å; D170-C187 PolarHBondContact OD2-SG 3.16Å; D170-C187 VanDerWaalsContact OD2-SG 3.35Å; D170-R434 PolarHBondContact O-NH1 2.98Å; D170-R434 PolarHBondContact O-NH2 3.47Å |
| 171 | Q | 84.4 | Confident | 78.5 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 38% | 0.379 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 25.7 | 53.8 | -175.9 | -58.7 | -164.5 | -3.1 | 0 | 0 | 114.8 | W166 C167 P168 N169 R434 I471 | W166-Q171 HydrophobicContact CH2-CB 4.19Å; W166-Q171 VanDerWaalsContact CH2-O 3.27Å; W166-Q171 WeakPolarHBondContact CH2-O 3.49Å; W166-Q171 VanDerWaalsContact CZ2-C 3.46Å; W166-Q171 VanDerWaalsContact CZ2-CA 3.47Å; W166-Q171 HydrophobicContact CZ2-CB 3.82Å; W166-Q171 HydrophobicContact CZ2-CG 4.44Å; C167-Q171 VanDerWaalsContact O-CA 3.28Å; C167-Q171 WeakPolarHBondContact O-CA 3.43Å; C167-Q171 PolarHBondContact O-N 3.2Å; P168-Q171 WeakPolarHBondContact O-CG 3.41Å; N169-Q171 PolarHBondContact O-N 3.29Å; Q171-R434 PolarHBondContact O-NH1 3.5Å; Q171-I471 PolarHBondContact OE1-O 2.88Å |
| 172 | T | 81 | Confident | 78 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.1 | -177.5 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | L92 W166 C167 D170 L174 R434 | L92-T172 HydrophobicContact CD1-CG2 4.08Å; W166-T172 VanDerWaalsContact CE3-C 3.48Å; C167-T172 PolarHBondContact N-O 3.31Å; C167-T172 PolarHBondContact O-N 3.4Å; D170-T172 HydrophobicContact CB-CG2 4Å; D170-T172 WeakPolarHBondContact O-CB 3.49Å; D170-T172 WeakPolarHBondContact O-CG2 3.25Å; D170-T172 PolarHBondContact O-N 2.93Å; T172-L174 HydrophobicContact CG2-CD2 4.25Å; T172-R434 HydrophobicContact CG2-CG 4.4Å; T172-R434 WeakPolarHBondContact OG1-CG 3.4Å |
| 173 | V | 83.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 145 | 164.7 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | V164 N165 W166 I196 Q198 R432 | V164-V173 HydrophobicContact CB-CG1 4.02Å; V164-V173 HydrophobicContact CB-CG2 4.34Å; V164-V173 HydrophobicContact CG2-CG1 4.35Å; V164-V173 HydrophobicContact CG2-CG2 3.72Å; N165-V173 CarbonylContact O-C 3.52Å; N165-V173 WeakPolarHBondContact O-CA 3.4Å; W166-V173 HydrophobicContact CE3-CG2 3.91Å; W166-V173 HydrophobicContact CZ3-CG2 4.32Å; V173-I196 HydrophobicContact CG2-CD1 4.07Å; V173-Q198 VanDerWaalsContact CG1-NE2 3.25Å; V173-R432 WeakPolarHBondContact O-CD 3.48Å; V173-R432 PolarHBondContact O-NE 3.5Å |
| 174 | L | 77 | Confident | 78.6 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.5 | 169.3 | -60.6 | 178.4 | 0 | 0 | 0 | 109.8 | N165 C167 T172 Q178 V179 C184 V191 | N165-L174 HydrophobicContact CB-CB 4.11Å; N165-L174 WeakPolarHBondContact CB-O 3.5Å; N165-L174 PolarHBondContact O-N 3.48Å; C167-L174 HydrophobicContact CB-CD1 3.99Å; C167-L174 HydrophobicContact CB-CG 4.27Å; T172-L174 HydrophobicContact CG2-CD2 4.25Å; L174-Q178 HydrophobicContact CB-CB 3.89Å; L174-Q178 HydrophobicContact CD2-CB 4.25Å; L174-V179 HydrophobicContact CB-CG2 4.21Å; L174-V179 HydrophobicContact CD1-CG2 4.3Å; L174-C184 HydrophobicContact CD1-CB 3.79Å; L174-V191 HydrophobicContact CD1-CG2 3.79Å |
| 175 | A | 72.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | trans | -64.6 | 165.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E177 Q178 | A175-E177 WeakPolarHBondContact CB-OE2 3.29Å; A175-E177 PolarHBondContact O-N 3.49Å; A175-Q178 HydrophobicContact CB-CB 4.43Å; A175-Q178 HydrophobicContact CB-CG 4.17Å; A175-Q178 WeakPolarHBondContact O-CB 3.4Å; A175-Q178 PolarHBondContact O-N 2.87Å; A175-Q178 VanDerWaalsContact O-N 3.08Å | ||
| 176 | N | 72.7 | Confident | 78.2 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.6 | -39.3 | 179.3 | -60.3 | -59.9 | 0 | 0 | 0 | 111.3 | N165 Q178 V179 R426 | N165-N176 WeakPolarHBondContact ND2-CA 3.34Å; N165-N176 PolarHBondContact ND2-OD1 2.89Å; N176-Q178 PolarHBondContact O-N 3.04Å; N176-V179 PolarHBondContact O-N 3.39Å; N176-R426 WeakPolarHBondContact ND2-CD 3.44Å; N176-R426 PolarHBondContact OD1-NH1 3.1Å |
| 177 | E | 73.9 | Confident | 77.9 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -68.3 | -21.8 | 179.5 | -51.6 | 56.4 | -147.1 | 0 | 0 | 112.1 | A175 V179 W231 M544 Y548 | A175-E177 WeakPolarHBondContact CB-OE2 3.29Å; A175-E177 PolarHBondContact O-N 3.49Å; E177-V179 PolarHBondContact O-N 3.25Å; E177-W231 HydrophobicContact CB-CH2 4.5Å; E177-W231 HydrophobicContact CB-CZ2 3.9Å; E177-W231 HydrophobicContact CG-CH2 4.43Å; E177-W231 HydrophobicContact CG-CZ2 3.42Å; E177-W231 VanDerWaalsContact CG-CZ2 3.42Å; E177-W231 WeakPolarHBondContact OE1-CZ2 3.3Å; E177-W231 PolarHBondContact OE1-NE1 3.04Å; E177-M544 HydrophobicContact CB-CB 4.48Å; E177-M544 HydrophobicContact CB-CE 3.74Å; E177-M544 HydrophobicContact CB-CG 3.31Å; E177-M544 HydrophobicContact CB-SD 4Å; E177-M544 HydrophobicContact CG-CG 4Å; E177-M544 WeakPolarHBondContact O-CE 3.4Å; E177-Y548 VanDerWaalsContact CD-OH 3.23Å; E177-Y548 PolarHBondContact OE2-OH 3.4Å |
| 178 | Q | 75.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -83.8 | 2.5 | 177.7 | -73.1 | 174.6 | -23.7 | 0 | 0 | 112.4 | L174 A175 N176 W185 R432 D499 F501 M544 | L174-Q178 HydrophobicContact CB-CB 3.89Å; L174-Q178 HydrophobicContact CD2-CB 4.25Å; A175-Q178 HydrophobicContact CB-CB 4.43Å; A175-Q178 HydrophobicContact CB-CG 4.17Å; A175-Q178 WeakPolarHBondContact O-CB 3.4Å; A175-Q178 PolarHBondContact O-N 2.87Å; A175-Q178 VanDerWaalsContact O-N 3.08Å; N176-Q178 PolarHBondContact O-N 3.04Å; Q178-W185 HydrophobicContact CB-CG 4.44Å; Q178-W185 WeakPolarHBondContact O-CB 3.24Å; Q178-W185 PolarHBondContact O-N 3.31Å; Q178-R432 VanDerWaalsContact OE1-NH2 3.16Å; Q178-D499 PolarHBondContact NE2-OD1 3.39Å; Q178-F501 HydrophobicContact CG-CE2 4.09Å; Q178-M544 HydrophobicContact CB-CE 4.11Å; Q178-M544 HydrophobicContact CG-CE 3.24Å |
| 179 | V | 75.7 | Confident | 77.4 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.4 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | N165 L174 N176 E177 C183 V191 A299 | N165-V179 HydrophobicContact CB-CG2 3.68Å; L174-V179 HydrophobicContact CB-CG2 4.21Å; L174-V179 HydrophobicContact CD1-CG2 4.3Å; N176-V179 PolarHBondContact O-N 3.39Å; E177-V179 PolarHBondContact O-N 3.25Å; V179-C183 WeakPolarHBondContact CA-O 3.36Å; V179-V191 HydrophobicContact CG1-CB 4.39Å; V179-V191 HydrophobicContact CG1-CG2 4.18Å; V179-V191 HydrophobicContact CG2-CG1 4.18Å; V179-V191 HydrophobicContact CG2-CG2 4.21Å; V179-A299 HydrophobicContact CG1-CB 4.03Å |
| 180 | I | 73.9 | Confident | 77.2 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 48% | 0.482 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.4 | 179.6 | -56.8 | 176.2 | 0 | 0 | 0 | 107 | G182 C183 W185 | I180-G182 PolarHBondContact O-N 3.35Å; I180-G182 VanDerWaalsContact O-N 3.13Å; I180-C183 PolarHBondContact N-O 2.95Å; I180-C183 PolarHBondContact O-N 3.12Å; I180-W185 HydrophobicContact CD1-CB 3.72Å; I180-W185 HydrophobicContact CG1-CB 4.06Å |
| 181 | D | 75.9 | Confident | 77.5 | Confident | 109 Ų | 109 | 43.1 Ų | 43.1 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 41.5 | 178.5 | -56.5 | -25.6 | 0 | 0 | 0 | 114 | C183 | D181-C183 VanDerWaalsContact C-N 3.27Å; D181-C183 PolarHBondContact O-N 2.92Å |
| 182 | G | 74.2 | Confident | 77.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -6.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I180 V191 E302 | I180-G182 PolarHBondContact O-N 3.35Å; I180-G182 VanDerWaalsContact O-N 3.13Å; G182-V191 PolarHBondContact O-N 3.13Å; G182-E302 VanDerWaalsContact CA-OE2 3.32Å; G182-E302 WeakPolarHBondContact CA-OE2 3.41Å |
| 183 | C | 79.7 | Confident | 76.9 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157.6 | -170.8 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | V179 I180 D181 W185 D188 T189 | V179-C183 WeakPolarHBondContact CA-O 3.36Å; I180-C183 PolarHBondContact N-O 2.95Å; I180-C183 PolarHBondContact O-N 3.12Å; D181-C183 VanDerWaalsContact C-N 3.27Å; D181-C183 PolarHBondContact O-N 2.92Å; C183-W185 PolarHBondContact O-N 2.79Å; C183-D188 PolarHBondContact SG-O 3.38Å; C183-D188 VanDerWaalsContact SG-O 3.39Å; C183-T189 WeakPolarHBondContact CA-O 3.39Å |
| 184 | C | 80.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.1 | 170.8 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | C167 D170 L174 R186 C187 D188 T189 V191 | C167-C184 HydrophobicContact CB-CB 4.31Å; D170-C184 PolarHBondContact OD2-SG 3.06Å; L174-C184 HydrophobicContact CD1-CB 3.79Å; C184-R186 PolarHBondContact O-N 3.49Å; C184-C187 VanDerWaalsContact CB-SG 3.52Å; C184-C187 PolarHBondContact O-N 2.8Å; C184-C187 VanDerWaalsContact SG-SG 3.67Å; C184-D188 PolarHBondContact O-N 3.32Å; C184-D188 VanDerWaalsContact O-N 3.08Å; C184-T189 PolarHBondContact N-O 2.77Å; C184-V191 HydrophobicContact CB-CG2 4.35Å |
| 185 | W | 75.5 | Confident | 76.8 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 26% | 0.261 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.9 | 178.7 | 72.4 | -71 | 0 | 0 | 0 | 115.7 | Q178 I180 C183 | Q178-W185 HydrophobicContact CB-CG 4.44Å; Q178-W185 WeakPolarHBondContact O-CB 3.24Å; Q178-W185 PolarHBondContact O-N 3.31Å; I180-W185 HydrophobicContact CD1-CB 3.72Å; I180-W185 HydrophobicContact CG1-CB 4.06Å; C183-W185 PolarHBondContact O-N 2.79Å |
| 186 | R | 72.2 | Confident | 77.5 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -46.9 | -178.5 | -67.1 | -179.6 | 174 | 163.7 | -2 | 113.4 | L92 C184 | L92-R186 VanDerWaalsContact CG-NH1 3.28Å; C184-R186 PolarHBondContact O-N 3.49Å |
| 187 | C | 78.6 | Confident | 78.3 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 4 | -166.4 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | D170 C184 T189 | D170-C187 VanDerWaalsContact CG-SG 3.59Å; D170-C187 PolarHBondContact OD1-SG 3.03Å; D170-C187 PolarHBondContact OD2-SG 3.16Å; D170-C187 VanDerWaalsContact OD2-SG 3.35Å; C184-C187 VanDerWaalsContact CB-SG 3.52Å; C184-C187 PolarHBondContact O-N 2.8Å; C184-C187 VanDerWaalsContact SG-SG 3.67Å; C187-T189 PolarHBondContact O-N 3.1Å; C187-T189 PolarHBondContact SG-OG1 2.78Å |
| 188 | D | 78 | Confident | 79.1 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | trans | 56.1 | 15.4 | 179 | -56.3 | -39 | 0 | 0 | 0 | 114.3 | C183 C184 | C183-D188 PolarHBondContact SG-O 3.38Å; C183-D188 VanDerWaalsContact SG-O 3.39Å; C184-D188 PolarHBondContact O-N 3.32Å; C184-D188 VanDerWaalsContact O-N 3.08Å | ||
| 189 | T | 81.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 136.4 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 109.6 | P168 N169 C183 C184 C187 V191 | P168-T189 HydrophobicContact CG-CG2 3.9Å; N169-T189 HydrophobicContact CB-CG2 3.83Å; N169-T189 WeakPolarHBondContact CB-OG1 3.36Å; C183-T189 WeakPolarHBondContact CA-O 3.39Å; C184-T189 PolarHBondContact N-O 2.77Å; C187-T189 PolarHBondContact O-N 3.1Å; C187-T189 PolarHBondContact SG-OG1 2.78Å; T189-V191 PolarHBondContact O-N 2.78Å |
| 190 | K | 79.4 | Confident | 81.1 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 61% | 0.613 | 28% | 0.284 | S | S | * | . | B | Isolated β-bridge | trans | -57.4 | 120.4 | 174.1 | -72.6 | -165.3 | 172.4 | -163.4 | 0 | 110.9 | P168 | P168-K190 WeakPolarHBondContact CD-O 3.33Å |
| 191 | V | 81.8 | Confident | 82.2 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 143.3 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | N165 W166 L174 V179 G182 C184 T189 K297 | N165-V191 HydrophobicContact CB-CG1 3.63Å; W166-V191 CarbonylContact O-C 3.59Å; W166-V191 WeakPolarHBondContact O-CA 3.37Å; L174-V191 HydrophobicContact CD1-CG2 3.79Å; V179-V191 HydrophobicContact CG1-CB 4.39Å; V179-V191 HydrophobicContact CG1-CG2 4.18Å; V179-V191 HydrophobicContact CG2-CG1 4.18Å; V179-V191 HydrophobicContact CG2-CG2 4.21Å; G182-V191 PolarHBondContact O-N 3.13Å; C184-V191 HydrophobicContact CB-CG2 4.35Å; T189-V191 PolarHBondContact O-N 2.78Å; V191-K297 WeakPolarHBondContact O-CB 3.37Å |
| 192 | E | 79.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.238 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 159.1 | 173.3 | 65.7 | -172.7 | -175.7 | 0 | 0 | 112 | W166 K297 | W166-E192 HydrophobicContact CB-CG 3.96Å; W166-E192 WeakPolarHBondContact CB-O 3.39Å; W166-E192 HydrophobicContact CG-CG 4.14Å; W166-E192 PolarHBondContact N-O 3.06Å; W166-E192 PolarHBondContact O-N 2.7Å; E192-K297 HydrophobicContact CB-CD 3.63Å; E192-K297 HydrophobicContact CB-CG 4.07Å; E192-K297 IonicContact OE2-NZ 2.58Å; E192-K297 PolarHBondContact OE2-NZ 2.81Å |
| 193 | R | 74.4 | Confident | 84.4 | Confident | 86 Ų | 86 | 52 Ų | 52 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.4 | 170.7 | -72.8 | -86.7 | -140.7 | 140.3 | 12.8 | 108.7 | A163 V164 E337 | A163-R193 PolarHBondContact O-NH1 2.75Å; V164-R193 WeakPolarHBondContact O-CA 3.4Å; R193-E337 IonicContact CZ-OE1 3.31Å; R193-E337 IonicContact CZ-OE2 2.64Å; R193-E337 VanDerWaalsContact NH1-CD 3.3Å; R193-E337 IonicContact NH1-OE1 3.19Å; R193-E337 PolarHBondContact NH1-OE1 3.38Å; R193-E337 IonicContact NH1-OE2 2.7Å; R193-E337 PolarHBondContact NH1-OE2 3.19Å; R193-E337 IonicContact NH2-OE1 2.79Å; R193-E337 IonicContact NH2-OE2 2.77Å; R193-E337 PolarHBondContact NH2-OE2 3.39Å |
| 194 | K | 78.3 | Confident | 85.2 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.5 | 173.5 | -170.2 | 169.4 | 169.6 | -175.5 | 0 | 109.3 | A163 V164 W166 I196 | A163-K194 WeakPolarHBondContact CA-O 3.44Å; V164-K194 WeakPolarHBondContact CG2-O 3.22Å; V164-K194 PolarHBondContact N-O 2.76Å; V164-K194 PolarHBondContact O-N 2.7Å; W166-K194 HydrophobicContact CB-CB 3.91Å; W166-K194 HydrophobicContact CD2-CD 3.98Å; W166-K194 HydrophobicContact CE3-CD 4.3Å; W166-K194 HydrophobicContact CG-CB 4.3Å; W166-K194 HydrophobicContact CG-CD 4.11Å; K194-I196 HydrophobicContact CB-CD1 4.46Å; K194-I196 HydrophobicContact CB-CG1 4.42Å; K194-I196 HydrophobicContact CD-CD1 3.9Å; K194-I196 HydrophobicContact CD-CG1 4.29Å; K194-I196 HydrophobicContact CG-CD1 4.04Å; K194-I196 HydrophobicContact CG-CG1 3.92Å |
| 195 | E | 80.2 | Confident | 86 | Confident | 151 Ų | 151 | 56 Ų | 56 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 117 | 175 | -73.4 | -170.3 | -179 | 0 | 0 | 110.5 | T161 A163 | T161-E195 HydrophobicContact CG2-CB 4.33Å; A163-E195 HydrophobicContact CB-CG 4.19Å |
| 196 | I | 84.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.6 | -179.8 | -53 | -178 | 0 | 0 | 0 | 108.9 | S162 V164 W166 V173 K194 Q198 | S162-I196 PolarHBondContact N-O 3.41Å; S162-I196 PolarHBondContact O-N 2.98Å; V164-I196 HydrophobicContact CG2-CB 4.19Å; V164-I196 HydrophobicContact CG2-CD1 4.4Å; V164-I196 HydrophobicContact CG2-CG1 4.24Å; W166-I196 HydrophobicContact CE3-CD1 3.78Å; W166-I196 HydrophobicContact CZ3-CD1 3.87Å; V173-I196 HydrophobicContact CG2-CD1 4.07Å; K194-I196 HydrophobicContact CB-CD1 4.46Å; K194-I196 HydrophobicContact CB-CG1 4.42Å; K194-I196 HydrophobicContact CD-CD1 3.9Å; K194-I196 HydrophobicContact CD-CG1 4.29Å; K194-I196 HydrophobicContact CG-CD1 4.04Å; K194-I196 HydrophobicContact CG-CG1 3.92Å; I196-Q198 PolarHBondContact O-N 3.41Å |
| 197 | P | 90.3 | Very high | 88.3 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128.2 | 168.7 | -16.2 | 29.2 | 0 | 0 | 0 | 111.1 | ||
| 198 | Q | 91.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.1 | 179.9 | -71.1 | -174.3 | 30.6 | 0 | 0 | 113.4 | K159 K160 V173 I196 F200 | K159-Q198 CarbonylContact C-O 3.51Å; K159-Q198 VanDerWaalsContact CA-O 3.26Å; K159-Q198 WeakPolarHBondContact CA-O 3.4Å; K160-Q198 PolarHBondContact N-O 3.16Å; K160-Q198 PolarHBondContact O-N 3.38Å; V173-Q198 VanDerWaalsContact CG1-NE2 3.25Å; I196-Q198 PolarHBondContact O-N 3.41Å; Q198-F200 HydrophobicContact CB-CD2 4.38Å; Q198-F200 HydrophobicContact CB-CE2 3.78Å; Q198-F200 HydrophobicContact CB-CZ 4.29Å; Q198-F200 WeakPolarHBondContact O-CD2 3.23Å |
| 199 | W | 96.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133 | 169.9 | -65.9 | 103.6 | 0 | 0 | 0 | 111.2 | F148 Y152 V157 Y158 K159 V430 S431 I440 M442 V450 E494 | F148-W199 HydrophobicContact CZ-CB 4.07Å; F148-W199 HydrophobicContact CZ-CD2 4.43Å; F148-W199 HydrophobicContact CZ-CE3 4.48Å; F148-W199 HydrophobicContact CZ-CG 4.28Å; Y152-W199 HydrophobicContact CD2-CH2 4.45Å; Y152-W199 AromaticContact CD2-CZ3 3.95Å; Y152-W199 HydrophobicContact CD2-CZ3 3.95Å; Y152-W199 HydrophobicContact CE2-CH2 4.03Å; Y152-W199 AromaticContact CE2-CZ3 3.79Å; Y152-W199 HydrophobicContact CE2-CZ3 3.79Å; V157-W199 HydrophobicContact CG1-CE3 3.6Å; V157-W199 HydrophobicContact CG1-CZ3 4.06Å; Y158-W199 WeakPolarHBondContact O-CA 3.49Å; K159-W199 HydrophobicContact CB-CD2 4.2Å; K159-W199 HydrophobicContact CB-CE3 3.87Å; K159-W199 HydrophobicContact CB-CH2 3.88Å; K159-W199 HydrophobicContact CB-CZ2 4.21Å; K159-W199 HydrophobicContact CB-CZ3 3.71Å; K159-W199 HydrophobicContact CD-CD2 4.41Å; K159-W199 HydrophobicContact CD-CH2 4.2Å; K159-W199 HydrophobicContact CD-CZ2 3.72Å; K159-W199 HydrophobicContact CG-CD2 4.32Å; K159-W199 HydrophobicContact CG-CE3 4.49Å; K159-W199 HydrophobicContact CG-CZ2 4.36Å; W199-V430 HydrophobicContact CB-CG2 4.02Å; W199-V430 WeakPolarHBondContact O-CG2 3.13Å; W199-V430 PolarHBondContact O-N 3.39Å; W199-S431 WeakPolarHBondContact CB-OG 3.26Å; W199-S431 PolarHBondContact N-OG 3.28Å; W199-I440 HydrophobicContact CG-CG2 4.38Å; W199-M442 HydrophobicContact CD2-CG 4.45Å; W199-M442 HydrophobicContact CH2-CE 3.44Å; W199-M442 VanDerWaalsContact CH2-CE 3.44Å; W199-M442 HydrophobicContact CH2-CG 4.06Å; W199-M442 HydrophobicContact CH2-SD 4.39Å; W199-M442 HydrophobicContact CZ2-CB 3.83Å; W199-M442 HydrophobicContact CZ2-CE 3.87Å; W199-M442 HydrophobicContact CZ2-CG 3.57Å; W199-M442 HydrophobicContact CZ2-SD 4.47Å; W199-M442 HydrophobicContact CZ3-CE 4.09Å; W199-V450 HydrophobicContact CH2-CG1 3.7Å; W199-V450 HydrophobicContact CZ2-CG1 3.71Å; W199-E494 PolarHBondContact NE1-OE2 2.91Å |
| 200 | F | 95.6 | Very high | 91 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.5 | 177.4 | -70.3 | -91.9 | 0 | 0 | 0 | 110.4 | V157 Y158 K160 Q198 D427 W428 | V157-F200 VanDerWaalsContact CA-O 3.32Å; V157-F200 WeakPolarHBondContact CA-O 3.44Å; Y158-F200 HydrophobicContact CD1-CB 4.1Å; Y158-F200 HydrophobicContact CE1-CB 3.51Å; Y158-F200 HydrophobicContact CE1-CG 4.48Å; Y158-F200 HydrophobicContact CE2-CB 4.02Å; Y158-F200 HydrophobicContact CE2-CD2 4.16Å; Y158-F200 HydrophobicContact CE2-CG 4.29Å; Y158-F200 VanDerWaalsContact CZ-CB 3.45Å; Y158-F200 AromaticContact CZ-CG 3.96Å; Y158-F200 PolarHBondContact N-O 3.1Å; Y158-F200 VanDerWaalsContact N-O 3.12Å; Y158-F200 PolarHBondContact O-N 3.36Å; K160-F200 HydrophobicContact CB-CD2 4.19Å; K160-F200 HydrophobicContact CB-CE2 4.17Å; Q198-F200 HydrophobicContact CB-CD2 4.38Å; Q198-F200 HydrophobicContact CB-CE2 3.78Å; Q198-F200 HydrophobicContact CB-CZ 4.29Å; Q198-F200 WeakPolarHBondContact O-CD2 3.23Å; F200-D427 HydrophobicContact CB-CB 4.26Å; F200-D427 HydrophobicContact CD1-CB 4.18Å; F200-W428 CarbonylContact C-O 3.57Å; F200-W428 VanDerWaalsContact CA-O 3.25Å; F200-W428 WeakPolarHBondContact CA-O 3.47Å |
| 201 | I | 97.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.9 | 165.4 | -52.9 | -176.2 | 0 | 0 | 0 | 108.7 | F148 L156 V157 I203 W428 V430 M502 F551 | F148-I201 HydrophobicContact CD2-CD1 4.27Å; F148-I201 HydrophobicContact CE2-CD1 4.32Å; F148-I201 HydrophobicContact CE2-CG1 4.16Å; L156-I201 CarbonylContact O-C 3.58Å; L156-I201 WeakPolarHBondContact O-CA 3.23Å; V157-I201 HydrophobicContact CG2-CG1 4.33Å; I201-I203 PolarHBondContact O-N 3.45Å; I201-W428 HydrophobicContact CB-CE3 4.47Å; I201-W428 HydrophobicContact CD1-CE3 4.08Å; I201-W428 HydrophobicContact CD1-CZ3 4.18Å; I201-W428 PolarHBondContact N-O 3.01Å; I201-W428 PolarHBondContact O-N 2.92Å; I201-V430 HydrophobicContact CD1-CG1 3.87Å; I201-V430 HydrophobicContact CG1-CG1 3.9Å; I201-V430 HydrophobicContact CG1-CG2 4.31Å; I201-M502 HydrophobicContact CD1-CE 3.81Å; I201-M502 HydrophobicContact CD1-SD 4.24Å; I201-F551 HydrophobicContact CB-CE1 4.44Å; I201-F551 HydrophobicContact CG2-CE1 3.62Å; I201-F551 HydrophobicContact CG2-CZ 3.61Å |
| 202 | K | 97.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | trans | -72.2 | 63.2 | -179.2 | -71.4 | -175.7 | -177.5 | 163.5 | 0 | 113.4 | G155 L156 Y158 T204 A205 D427 | G155-K202 WeakPolarHBondContact O-CE 3.15Å; G155-K202 PolarHBondContact O-NZ 2.9Å; L156-K202 HydrophobicContact CD2-CB 4.15Å; L156-K202 PolarHBondContact O-N 3.4Å; Y158-K202 HydrophobicContact CD1-CD 4.34Å; Y158-K202 HydrophobicContact CD1-CG 3.75Å; Y158-K202 HydrophobicContact CE1-CD 4.47Å; Y158-K202 HydrophobicContact CE1-CG 3.6Å; K202-T204 PolarHBondContact O-N 3Å; K202-A205 HydrophobicContact CB-CB 4.3Å; K202-A205 WeakPolarHBondContact O-CB 3.46Å; K202-A205 PolarHBondContact O-N 3.39Å; K202-D427 VanDerWaalsContact CA-OD1 3.29Å; K202-D427 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 203 | I | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -61.9 | -27.3 | 173.2 | -171.9 | 169.3 | 0 | 0 | 0 | 111.7 | I201 A205 Y206 A207 L210 L425 R426 D427 W428 L547 Y548 F551 | I201-I203 PolarHBondContact O-N 3.45Å; I203-A205 PolarHBondContact O-N 2.89Å; I203-Y206 PolarHBondContact O-N 3.42Å; I203-A207 PolarHBondContact O-N 3.26Å; I203-L210 HydrophobicContact CD1-CD1 4.15Å; I203-L210 HydrophobicContact CG1-CD1 3.79Å; I203-L425 HydrophobicContact CG1-CD2 4.23Å; I203-L425 HydrophobicContact CG2-CD2 4.26Å; I203-L425 HydrophobicContact CG2-CG 4.35Å; I203-R426 WeakPolarHBondContact CG2-O 3.24Å; I203-D427 PolarHBondContact N-OD1 3.41Å; I203-W428 HydrophobicContact CG2-CB 4.16Å; I203-L547 HydrophobicContact CD1-CD2 4.41Å; I203-L547 HydrophobicContact CD1-CG 4.23Å; I203-Y548 HydrophobicContact CD1-CD1 4.06Å; I203-Y548 HydrophobicContact CD1-CE1 4.3Å; I203-F551 HydrophobicContact CB-CD1 4.04Å; I203-F551 HydrophobicContact CB-CD2 4.32Å; I203-F551 HydrophobicContact CB-CE1 3.86Å; I203-F551 HydrophobicContact CB-CE2 4.17Å; I203-F551 HydrophobicContact CB-CG 4.26Å; I203-F551 HydrophobicContact CB-CZ 3.92Å; I203-F551 HydrophobicContact CD1-CB 3.77Å; I203-F551 HydrophobicContact CD1-CD1 3.75Å; I203-F551 HydrophobicContact CD1-CD2 4.38Å; I203-F551 HydrophobicContact CD1-CE1 4.43Å; I203-F551 HydrophobicContact CD1-CG 3.71Å; I203-F551 HydrophobicContact CG1-CB 4.07Å; I203-F551 HydrophobicContact CG1-CD1 3.79Å; I203-F551 HydrophobicContact CG1-CD2 3.76Å; I203-F551 HydrophobicContact CG1-CE1 4.12Å; I203-F551 HydrophobicContact CG1-CE2 4.11Å; I203-F551 HydrophobicContact CG1-CG 3.58Å; I203-F551 HydrophobicContact CG1-CZ 4.26Å |
| 204 | T | 96.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -63.3 | -24.1 | 176.5 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | K202 Y206 A207 L425 D427 | K202-T204 PolarHBondContact O-N 3Å; T204-Y206 PolarHBondContact O-N 3.21Å; T204-A207 VanDerWaalsContact O-CB 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.27Å; T204-A207 PolarHBondContact O-N 3.28Å; T204-A207 VanDerWaalsContact O-N 3.12Å; T204-L425 HydrophobicContact CG2-CB 4.45Å; T204-L425 HydrophobicContact CG2-CG 4.23Å; T204-L425 WeakPolarHBondContact CG2-O 3.48Å; T204-D427 VanDerWaalsContact CB-OD1 3.29Å; T204-D427 WeakPolarHBondContact CB-OD1 3.31Å; T204-D427 WeakPolarHBondContact CG2-OD1 3.33Å; T204-D427 PolarHBondContact N-OD1 3.39Å; T204-D427 VanDerWaalsContact N-OD1 3.13Å; T204-D427 PolarHBondContact OG1-OD1 2.87Å |
| 205 | A | 97.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 57% | 0.57 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -64.8 | -18 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | L156 K202 I203 | L156-A205 HydrophobicContact CD2-CB 4.24Å; K202-A205 HydrophobicContact CB-CB 4.3Å; K202-A205 WeakPolarHBondContact O-CB 3.46Å; K202-A205 PolarHBondContact O-N 3.39Å; I203-A205 PolarHBondContact O-N 2.89Å |
| 206 | Y | 98.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 38 Ų | 38 | 13% | 0.125 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -109.7 | 9.2 | 177.4 | -74.2 | -101.2 | 0 | 0 | 0 | 112.5 | L156 I203 T204 D208 E209 L210 F551 K554 L555 D558 | L156-Y206 HydrophobicContact CD1-CE2 4.4Å; L156-Y206 HydrophobicContact CD2-CE2 4.38Å; I203-Y206 PolarHBondContact O-N 3.42Å; T204-Y206 PolarHBondContact O-N 3.21Å; Y206-D208 PolarHBondContact O-N 3.32Å; Y206-E209 PolarHBondContact O-N 3.4Å; Y206-L210 WeakPolarHBondContact O-CB 3.36Å; Y206-L210 VanDerWaalsContact O-CG 3.31Å; Y206-L210 WeakPolarHBondContact O-CG 3.41Å; Y206-L210 PolarHBondContact O-N 3.19Å; Y206-F551 HydrophobicContact CD2-CD2 4.24Å; Y206-F551 AromaticContact CD2-CE2 3.62Å; Y206-F551 HydrophobicContact CD2-CE2 3.62Å; Y206-F551 HydrophobicContact CE2-CE2 4.2Å; Y206-F551 HydrophobicContact CG-CD2 4.12Å; Y206-F551 AromaticContact CG-CE2 3.97Å; Y206-F551 HydrophobicContact CG-CE2 3.97Å; Y206-K554 HydrophobicContact CD1-CB 4.08Å; Y206-K554 HydrophobicContact CD1-CD 4.44Å; Y206-K554 HydrophobicContact CE1-CB 4.1Å; Y206-L555 HydrophobicContact CD2-CD2 4.45Å; Y206-L555 HydrophobicContact CE2-CD2 3.71Å; Y206-D558 WeakPolarHBondContact CE1-OD2 3.26Å; Y206-D558 VanDerWaalsContact CZ-OD2 3.26Å; Y206-D558 PolarHBondContact OH-OD2 3.44Å |
| 207 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I203 T204 L211 I232 Y423 L425 | I203-A207 PolarHBondContact O-N 3.26Å; T204-A207 VanDerWaalsContact O-CB 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.27Å; T204-A207 PolarHBondContact O-N 3.28Å; T204-A207 VanDerWaalsContact O-N 3.12Å; A207-L211 VanDerWaalsContact O-CB 3.28Å; A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 PolarHBondContact O-N 3.16Å; A207-I232 HydrophobicContact CB-CG2 4.34Å; A207-Y423 HydrophobicContact CB-CD1 3.5Å; A207-Y423 HydrophobicContact CB-CD2 4.18Å; A207-Y423 HydrophobicContact CB-CE1 3.5Å; A207-Y423 VanDerWaalsContact CB-CE1 3.5Å; A207-Y423 HydrophobicContact CB-CE2 4.19Å; A207-Y423 HydrophobicContact CB-CG 3.86Å; A207-L425 HydrophobicContact CB-CD2 4.12Å |
| 208 | D | 98.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.9 | -90.9 | -8.1 | 0 | 0 | 0 | 112 | Y206 L211 N212 R234 Y423 | Y206-D208 PolarHBondContact O-N 3.32Å; D208-L211 PolarHBondContact O-N 3.08Å; D208-N212 VanDerWaalsContact O-CB 3.29Å; D208-N212 WeakPolarHBondContact O-CB 3.1Å; D208-N212 PolarHBondContact O-N 3.27Å; D208-N212 PolarHBondContact O-ND2 3.23Å; D208-R234 WeakPolarHBondContact OD1-CD 3.34Å; D208-R234 IonicContact OD1-CZ 3.51Å; D208-R234 IonicContact OD1-NE 2.82Å; D208-R234 PolarHBondContact OD1-NE 2.91Å; D208-Y423 WeakPolarHBondContact OD1-CE1 3.48Å; D208-Y423 PolarHBondContact OD1-OH 3.38Å; D208-Y423 PolarHBondContact OD2-OH 2.88Å; D208-Y423 VanDerWaalsContact OD2-OH 3.12Å |
| 209 | E | 98.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 179.6 | -163.6 | -171.3 | 154.5 | 0 | 0 | 111.1 | Y206 L211 N212 D213 K554 R557 | Y206-E209 PolarHBondContact O-N 3.4Å; E209-L211 PolarHBondContact O-N 3.46Å; E209-N212 PolarHBondContact O-N 2.93Å; E209-D213 WeakPolarHBondContact O-CB 3.46Å; E209-D213 PolarHBondContact O-N 3.34Å; E209-K554 HydrophobicContact CG-CD 4.19Å; E209-K554 WeakPolarHBondContact OE1-CD 3.5Å; E209-K554 IonicContact OE1-NZ 2.79Å; E209-K554 PolarHBondContact OE1-NZ 3.19Å; E209-R557 IonicContact OE1-CZ 3.99Å; E209-R557 VanDerWaalsContact OE1-CZ 3.22Å; E209-R557 IonicContact OE1-NH1 3.52Å; E209-R557 PolarHBondContact OE1-NH1 3.37Å; E209-R557 IonicContact OE1-NH2 2.78Å; E209-R557 PolarHBondContact OE1-NH2 3.08Å; E209-R557 IonicContact OE2-NH2 3.38Å; E209-R557 PolarHBondContact OE2-NH2 3.49Å |
| 210 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -34.5 | 175.2 | -73.7 | 167.2 | 0 | 0 | 0 | 112 | I203 Y206 I232 L547 R550 F551 K554 | I203-L210 HydrophobicContact CD1-CD1 4.15Å; I203-L210 HydrophobicContact CG1-CD1 3.79Å; Y206-L210 WeakPolarHBondContact O-CB 3.36Å; Y206-L210 VanDerWaalsContact O-CG 3.31Å; Y206-L210 WeakPolarHBondContact O-CG 3.41Å; Y206-L210 PolarHBondContact O-N 3.19Å; L210-I232 HydrophobicContact CB-CD1 4Å; L210-L547 HydrophobicContact CB-CD1 4.49Å; L210-L547 HydrophobicContact CD1-CD1 4.23Å; L210-L547 HydrophobicContact CD2-CD1 4.34Å; L210-R550 HydrophobicContact CD2-CB 3.83Å; L210-R550 VanDerWaalsContact O-CZ 3.26Å; L210-R550 PolarHBondContact O-NH1 2.84Å; L210-R550 PolarHBondContact O-NH2 3.37Å; L210-F551 HydrophobicContact CD1-CB 4.19Å; L210-F551 HydrophobicContact CD1-CD2 4.45Å; L210-F551 HydrophobicContact CD2-CB 4.26Å; L210-K554 HydrophobicContact CD2-CD 4.05Å; L210-K554 HydrophobicContact CG-CD 4.46Å |
| 211 | L | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.12 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.2 | -50.9 | 178.4 | -176.5 | 67.5 | 0 | 0 | 0 | 111.9 | A207 D208 E209 D213 L214 R229 I232 R234 | A207-L211 VanDerWaalsContact O-CB 3.28Å; A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 PolarHBondContact O-N 3.16Å; D208-L211 PolarHBondContact O-N 3.08Å; E209-L211 PolarHBondContact O-N 3.46Å; L211-D213 PolarHBondContact O-N 3.4Å; L211-L214 HydrophobicContact CD1-CD1 4.41Å; L211-L214 WeakPolarHBondContact O-CB 3.23Å; L211-L214 WeakPolarHBondContact O-CG 3.48Å; L211-L214 PolarHBondContact O-N 3.32Å; L211-R229 HydrophobicContact CD1-CB 3.98Å; L211-R229 HydrophobicContact CD1-CG 3.69Å; L211-I232 HydrophobicContact CB-CD1 4.19Å; L211-I232 HydrophobicContact CB-CG2 4.29Å; L211-I232 HydrophobicContact CD1-CB 4.39Å; L211-I232 HydrophobicContact CD1-CD1 4.29Å; L211-I232 HydrophobicContact CD1-CG2 4.41Å; L211-R234 HydrophobicContact CD2-CB 3.44Å; L211-R234 VanDerWaalsContact CD2-CB 3.44Å; L211-R234 VanDerWaalsContact CD2-CD 3.49Å; L211-R234 HydrophobicContact CD2-CG 4.11Å |
| 212 | N | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | -172.7 | -65 | -19.4 | 0 | 0 | 0 | 111.4 | D208 E209 L214 D215 | D208-N212 VanDerWaalsContact O-CB 3.29Å; D208-N212 WeakPolarHBondContact O-CB 3.1Å; D208-N212 PolarHBondContact O-N 3.27Å; D208-N212 PolarHBondContact O-ND2 3.23Å; E209-N212 PolarHBondContact O-N 2.93Å; N212-L214 PolarHBondContact O-N 2.89Å; N212-D215 WeakPolarHBondContact O-CB 3.41Å; N212-D215 PolarHBondContact O-N 2.86Å; N212-D215 VanDerWaalsContact O-N 3.09Å |
| 213 | D | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -70.5 | -12 | -179.1 | -78.3 | -0.7 | 0 | 0 | 0 | 113.5 | E209 L211 D215 K216 K554 E566 | E209-D213 WeakPolarHBondContact O-CB 3.46Å; E209-D213 PolarHBondContact O-N 3.34Å; L211-D213 PolarHBondContact O-N 3.4Å; D213-D215 PolarHBondContact O-N 3.21Å; D213-K216 HydrophobicContact CB-CD 4.33Å; D213-K216 WeakPolarHBondContact O-CB 3.3Å; D213-K216 PolarHBondContact O-N 3.34Å; D213-K216 WeakPolarHBondContact OD1-CD 3.39Å; D213-K216 WeakPolarHBondContact OD1-CE 3.14Å; D213-K216 IonicContact OD1-NZ 3.78Å; D213-K216 PolarHBondContact OD1-NZ 3.02Å; D213-K216 IonicContact OD2-NZ 2.71Å; D213-K216 PolarHBondContact OD2-NZ 2.99Å; D213-K554 IonicContact OD2-NZ 3.95Å; D213-K554 PolarHBondContact OD2-NZ 2.94Å; D213-E566 HydrophobicContact CB-CG 4.37Å; D213-E566 VanDerWaalsContact CB-OE1 3.22Å; D213-E566 WeakPolarHBondContact CB-OE1 3.33Å |
| 214 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -58.6 | -27.1 | 168.8 | -66.4 | 172.3 | 0 | 0 | 0 | 112.2 | L211 N212 K216 L217 K225 Q228 R229 | L211-L214 HydrophobicContact CD1-CD1 4.41Å; L211-L214 WeakPolarHBondContact O-CB 3.23Å; L211-L214 WeakPolarHBondContact O-CG 3.48Å; L211-L214 PolarHBondContact O-N 3.32Å; N212-L214 PolarHBondContact O-N 2.89Å; L214-K216 VanDerWaalsContact C-N 3.29Å; L214-L217 HydrophobicContact CD2-CD1 4.24Å; L214-L217 PolarHBondContact O-N 3.2Å; L214-K225 HydrophobicContact CD2-CG 4.25Å; L214-K225 WeakPolarHBondContact O-CD 3.22Å; L214-Q228 HydrophobicContact CD1-CB 3.97Å; L214-Q228 HydrophobicContact CD2-CB 4.34Å; L214-R229 HydrophobicContact CD1-CG 3.56Å |
| 215 | D | 98.3 | Very high | 97.7 | Very high | 111 Ų | 111 | 52.7 Ų | 52.7 | 59% | 0.594 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -73.9 | -22.4 | 177.9 | -62.4 | -21.4 | 0 | 0 | 0 | 112.2 | N212 D213 L217 R229 | N212-D215 WeakPolarHBondContact O-CB 3.41Å; N212-D215 PolarHBondContact O-N 2.86Å; N212-D215 VanDerWaalsContact O-N 3.09Å; D213-D215 PolarHBondContact O-N 3.21Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-R229 IonicContact OD1-CZ 3.81Å; D215-R229 IonicContact OD1-NE 2.91Å; D215-R229 IonicContact OD1-NH2 3.39Å; D215-R229 PolarHBondContact OD1-NH2 3.11Å |
| 216 | K | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 52.5 Ų | 52.5 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.3 | 173.5 | -59.3 | 175 | 179.6 | 164.3 | 0 | 112.5 | D213 L214 E218 D565 | D213-K216 HydrophobicContact CB-CD 4.33Å; D213-K216 WeakPolarHBondContact O-CB 3.3Å; D213-K216 PolarHBondContact O-N 3.34Å; D213-K216 WeakPolarHBondContact OD1-CD 3.39Å; D213-K216 WeakPolarHBondContact OD1-CE 3.14Å; D213-K216 IonicContact OD1-NZ 3.78Å; D213-K216 PolarHBondContact OD1-NZ 3.02Å; D213-K216 IonicContact OD2-NZ 2.71Å; D213-K216 PolarHBondContact OD2-NZ 2.99Å; L214-K216 VanDerWaalsContact C-N 3.29Å; K216-E218 VanDerWaalsContact C-N 3.33Å; K216-E218 PolarHBondContact O-N 3.38Å; K216-E218 VanDerWaalsContact O-N 3.08Å; K216-D565 IonicContact NZ-OD2 3.92Å; K216-D565 PolarHBondContact NZ-OD2 3Å |
| 217 | L | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | trans | -87.5 | 65.8 | -174.5 | -64 | 176.5 | 0 | 0 | 0 | 111.6 | L214 D215 H219 W220 K225 E566 | L214-L217 HydrophobicContact CD2-CD1 4.24Å; L214-L217 PolarHBondContact O-N 3.2Å; D215-L217 VanDerWaalsContact C-N 3.34Å; L217-H219 PolarHBondContact O-N 3.2Å; L217-W220 HydrophobicContact CB-CB 3.94Å; L217-W220 HydrophobicContact CB-CD2 4.31Å; L217-W220 HydrophobicContact CB-CG 3.76Å; L217-W220 HydrophobicContact CD1-CD2 3.76Å; L217-W220 HydrophobicContact CD1-CE3 4.05Å; L217-W220 HydrophobicContact CD1-CG 4.12Å; L217-W220 HydrophobicContact CD1-CH2 4.42Å; L217-W220 HydrophobicContact CD1-CZ2 4.14Å; L217-W220 HydrophobicContact CD1-CZ3 4.38Å; L217-W220 HydrophobicContact CG-CD2 4.47Å; L217-W220 HydrophobicContact CG-CG 4.36Å; L217-W220 PolarHBondContact O-N 2.74Å; L217-W220 VanDerWaalsContact O-N 3.13Å; L217-K225 PolarHBondContact O-NZ 2.99Å; L217-E566 HydrophobicContact CD1-CG 4.47Å; L217-E566 HydrophobicContact CD2-CB 3.94Å; L217-E566 HydrophobicContact CD2-CG 3.87Å; L217-E566 HydrophobicContact CG-CG 4.34Å | ||
| 218 | E | 97.2 | Very high | 97.3 | Very high | 157 Ų | 157 | 54.3 Ų | 54.3 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.5 | -178.1 | -64.3 | -175.8 | -178.9 | 0 | 0 | 113.1 | K216 W220 | K216-E218 VanDerWaalsContact C-N 3.33Å; K216-E218 PolarHBondContact O-N 3.38Å; K216-E218 VanDerWaalsContact O-N 3.08Å; E218-W220 VanDerWaalsContact C-N 3.34Å |
| 219 | H | 97.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -93.9 | 15.3 | 180 | -56.3 | -62.3 | 0 | 0 | 0 | 113.7 | L217 Q570 L571 | L217-H219 PolarHBondContact O-N 3.2Å; H219-Q570 HydrophobicContact CB-CB 3.82Å; H219-Q570 HydrophobicContact CB-CG 3.92Å; H219-L571 PolarHBondContact O-N 3.08Å |
| 220 | W | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -98.6 | 140.3 | 169.8 | -78.4 | 46.8 | 0 | 0 | 0 | 110.9 | L217 E218 D222 V224 K225 L546 R550 A568 L571 | L217-W220 HydrophobicContact CB-CB 3.94Å; L217-W220 HydrophobicContact CB-CD2 4.31Å; L217-W220 HydrophobicContact CB-CG 3.76Å; L217-W220 HydrophobicContact CD1-CD2 3.76Å; L217-W220 HydrophobicContact CD1-CE3 4.05Å; L217-W220 HydrophobicContact CD1-CG 4.12Å; L217-W220 HydrophobicContact CD1-CH2 4.42Å; L217-W220 HydrophobicContact CD1-CZ2 4.14Å; L217-W220 HydrophobicContact CD1-CZ3 4.38Å; L217-W220 HydrophobicContact CG-CD2 4.47Å; L217-W220 HydrophobicContact CG-CG 4.36Å; L217-W220 PolarHBondContact O-N 2.74Å; L217-W220 VanDerWaalsContact O-N 3.13Å; E218-W220 VanDerWaalsContact C-N 3.34Å; W220-D222 PolarHBondContact O-N 2.99Å; W220-V224 HydrophobicContact CE3-CG1 3.96Å; W220-V224 HydrophobicContact CZ3-CG1 4.11Å; W220-K225 HydrophobicContact CB-CD 4.18Å; W220-K225 HydrophobicContact CB-CG 4.13Å; W220-K225 VanDerWaalsContact O-CE 3.27Å; W220-K225 WeakPolarHBondContact O-CE 3.3Å; W220-K225 PolarHBondContact O-NZ 2.96Å; W220-L546 HydrophobicContact CH2-CD2 4.09Å; W220-L546 HydrophobicContact CZ3-CB 4.49Å; W220-R550 HydrophobicContact CH2-CG 4.07Å; W220-A568 HydrophobicContact CZ2-CB 4.35Å; W220-A568 PolarHBondContact NE1-O 3.26Å; W220-L571 HydrophobicContact CD2-CB 3.74Å; W220-L571 HydrophobicContact CD2-CD2 3.85Å; W220-L571 HydrophobicContact CD2-CG 4.46Å; W220-L571 HydrophobicContact CE3-CB 4.32Å; W220-L571 HydrophobicContact CE3-CD2 3.53Å; W220-L571 HydrophobicContact CG-CB 3.82Å; W220-L571 HydrophobicContact CH2-CD2 4.31Å; W220-L571 HydrophobicContact CZ2-CB 4.48Å; W220-L571 HydrophobicContact CZ3-CD2 3.79Å |
| 221 | P | 95.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | trans | -58.8 | 135.4 | 177.9 | -23 | 33.1 | 0 | 0 | 0 | 111.9 | T223 V224 K225 L571 | P221-T223 PolarHBondContact O-N 2.96Å; P221-T223 VanDerWaalsContact O-N 3.15Å; P221-V224 HydrophobicContact CB-CG2 4.33Å; P221-V224 HydrophobicContact CG-CG2 4.47Å; P221-V224 PolarHBondContact O-N 3.2Å; P221-K225 PolarHBondContact O-N 3.3Å; P221-K225 VanDerWaalsContact O-N 3.14Å; P221-L571 WeakPolarHBondContact CD-O 3.24Å | ||
| 222 | D | 96.6 | Very high | 96.3 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.7 | -27.9 | 178.4 | -69.5 | -30.5 | 0 | 0 | 0 | 112.7 | W220 K225 T226 | W220-D222 PolarHBondContact O-N 2.99Å; D222-K225 WeakPolarHBondContact OD1-CE 3.37Å; D222-K225 IonicContact OD1-NZ 2.76Å; D222-K225 PolarHBondContact OD1-NZ 3.47Å; D222-T226 WeakPolarHBondContact O-CB 3.27Å; D222-T226 PolarHBondContact O-N 2.98Å; D222-T226 PolarHBondContact O-OG1 3.38Å |
| 223 | T | 93.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | P221 M227 | P221-T223 PolarHBondContact O-N 2.96Å; P221-T223 VanDerWaalsContact O-N 3.15Å; T223-M227 WeakPolarHBondContact O-CB 3.44Å; T223-M227 WeakPolarHBondContact O-CE 3.33Å; T223-M227 VanDerWaalsContact O-CG 3.31Å; T223-M227 WeakPolarHBondContact O-CG 3.37Å; T223-M227 PolarHBondContact O-N 3.09Å |
| 224 | V | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 177.9 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | W220 P221 T226 M227 Q228 A542 L546 L571 C573 | W220-V224 HydrophobicContact CE3-CG1 3.96Å; W220-V224 HydrophobicContact CZ3-CG1 4.11Å; P221-V224 HydrophobicContact CB-CG2 4.33Å; P221-V224 HydrophobicContact CG-CG2 4.47Å; P221-V224 PolarHBondContact O-N 3.2Å; V224-T226 VanDerWaalsContact C-N 3.32Å; V224-T226 PolarHBondContact O-N 3.25Å; V224-M227 HydrophobicContact CG2-CE 4.39Å; V224-M227 PolarHBondContact O-N 3.17Å; V224-Q228 PolarHBondContact O-N 3.31Å; V224-A542 HydrophobicContact CG1-CB 4.12Å; V224-A542 HydrophobicContact CG2-CB 4.22Å; V224-L546 HydrophobicContact CG1-CD1 4.28Å; V224-L571 HydrophobicContact CB-CD2 4.28Å; V224-L571 HydrophobicContact CG1-CD2 3.91Å; V224-L571 HydrophobicContact CG2-CD2 4.03Å; V224-C573 VanDerWaalsContact CG2-SG 3.59Å |
| 225 | K | 97.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 60 Ų | 60 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 178.7 | -65.4 | -177.3 | -66.7 | -168.4 | 0 | 111.1 | L214 L217 W220 P221 D222 Q228 R229 | L214-K225 HydrophobicContact CD2-CG 4.25Å; L214-K225 WeakPolarHBondContact O-CD 3.22Å; L217-K225 PolarHBondContact O-NZ 2.99Å; W220-K225 HydrophobicContact CB-CD 4.18Å; W220-K225 HydrophobicContact CB-CG 4.13Å; W220-K225 VanDerWaalsContact O-CE 3.27Å; W220-K225 WeakPolarHBondContact O-CE 3.3Å; W220-K225 PolarHBondContact O-NZ 2.96Å; P221-K225 PolarHBondContact O-N 3.3Å; P221-K225 VanDerWaalsContact O-N 3.14Å; D222-K225 WeakPolarHBondContact OD1-CE 3.37Å; D222-K225 IonicContact OD1-NZ 2.76Å; D222-K225 PolarHBondContact OD1-NZ 3.47Å; K225-Q228 PolarHBondContact O-N 2.79Å; K225-R229 WeakPolarHBondContact O-CG 3.37Å; K225-R229 PolarHBondContact O-N 2.81Å |
| 226 | T | 96.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 60 Ų | 60 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 178.2 | -58 | 0 | 0 | 0 | 0 | 111.8 | D222 V224 Q228 R229 N230 | D222-T226 WeakPolarHBondContact O-CB 3.27Å; D222-T226 PolarHBondContact O-N 2.98Å; D222-T226 PolarHBondContact O-OG1 3.38Å; V224-T226 VanDerWaalsContact C-N 3.32Å; V224-T226 PolarHBondContact O-N 3.25Å; T226-Q228 VanDerWaalsContact C-N 3.34Å; T226-Q228 PolarHBondContact O-N 3.29Å; T226-R229 PolarHBondContact O-N 2.76Å; T226-N230 WeakPolarHBondContact O-CB 3.21Å; T226-N230 PolarHBondContact O-N 2.85Å; T226-N230 PolarHBondContact O-ND2 3.47Å |
| 227 | M | 93.5 | Very high | 94.9 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 174.8 | -76.4 | -173.4 | -76.8 | 0 | 0 | 111.7 | T223 V224 N230 W231 I539 A542 I543 | T223-M227 WeakPolarHBondContact O-CB 3.44Å; T223-M227 WeakPolarHBondContact O-CE 3.33Å; T223-M227 VanDerWaalsContact O-CG 3.31Å; T223-M227 WeakPolarHBondContact O-CG 3.37Å; T223-M227 PolarHBondContact O-N 3.09Å; V224-M227 HydrophobicContact CG2-CE 4.39Å; V224-M227 PolarHBondContact O-N 3.17Å; M227-N230 PolarHBondContact O-N 3.31Å; M227-W231 WeakPolarHBondContact O-CB 3.47Å; M227-W231 PolarHBondContact O-N 3.02Å; M227-I539 HydrophobicContact CE-CD1 4.01Å; M227-I539 HydrophobicContact CE-CG1 3.84Å; M227-A542 HydrophobicContact CE-CB 3.5Å; M227-A542 HydrophobicContact SD-CB 4.1Å; M227-I543 HydrophobicContact CB-CG2 3.69Å |
| 228 | Q | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 175.9 | -69.8 | -164.2 | 12.7 | 0 | 0 | 112.7 | L214 V224 K225 T226 N230 W231 I232 A542 | L214-Q228 HydrophobicContact CD1-CB 3.97Å; L214-Q228 HydrophobicContact CD2-CB 4.34Å; V224-Q228 PolarHBondContact O-N 3.31Å; K225-Q228 PolarHBondContact O-N 2.79Å; T226-Q228 VanDerWaalsContact C-N 3.34Å; T226-Q228 PolarHBondContact O-N 3.29Å; Q228-N230 VanDerWaalsContact C-N 3.31Å; Q228-N230 PolarHBondContact O-N 3.47Å; Q228-W231 PolarHBondContact O-N 3.12Å; Q228-I232 WeakPolarHBondContact O-CB 3.39Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 3.1Å; Q228-A542 WeakPolarHBondContact CG-O 3.38Å; Q228-A542 PolarHBondContact NE2-O 2.72Å |
| 229 | R | 96.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.2 | -68.7 | -162.2 | -173.1 | 86 | 0.1 | 111.5 | L211 L214 D215 K225 T226 W231 G233 | L211-R229 HydrophobicContact CD1-CB 3.98Å; L211-R229 HydrophobicContact CD1-CG 3.69Å; L214-R229 HydrophobicContact CD1-CG 3.56Å; D215-R229 IonicContact OD1-CZ 3.81Å; D215-R229 IonicContact OD1-NE 2.91Å; D215-R229 IonicContact OD1-NH2 3.39Å; D215-R229 PolarHBondContact OD1-NH2 3.11Å; K225-R229 WeakPolarHBondContact O-CG 3.37Å; K225-R229 PolarHBondContact O-N 2.81Å; T226-R229 PolarHBondContact O-N 2.76Å; R229-W231 VanDerWaalsContact C-N 3.34Å; R229-G233 PolarHBondContact O-N 3.28Å |
| 230 | N | 92.2 | Very high | 94.8 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68 | -35 | 179.5 | -67.9 | -11.5 | 0 | 0 | 0 | 112.3 | T226 M227 Q228 | T226-N230 WeakPolarHBondContact O-CB 3.21Å; T226-N230 PolarHBondContact O-N 2.85Å; T226-N230 PolarHBondContact O-ND2 3.47Å; M227-N230 PolarHBondContact O-N 3.31Å; Q228-N230 VanDerWaalsContact C-N 3.31Å; Q228-N230 PolarHBondContact O-N 3.47Å |
| 231 | W | 89.7 | Confident | 94.9 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 16% | 0.163 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.8 | -46.3 | 176.3 | -165.8 | -99.9 | 0 | 0 | 0 | 112 | E177 M227 Q228 R229 G233 I543 | E177-W231 HydrophobicContact CB-CH2 4.5Å; E177-W231 HydrophobicContact CB-CZ2 3.9Å; E177-W231 HydrophobicContact CG-CH2 4.43Å; E177-W231 HydrophobicContact CG-CZ2 3.42Å; E177-W231 VanDerWaalsContact CG-CZ2 3.42Å; E177-W231 WeakPolarHBondContact OE1-CZ2 3.3Å; E177-W231 PolarHBondContact OE1-NE1 3.04Å; M227-W231 WeakPolarHBondContact O-CB 3.47Å; M227-W231 PolarHBondContact O-N 3.02Å; Q228-W231 PolarHBondContact O-N 3.12Å; R229-W231 VanDerWaalsContact C-N 3.34Å; W231-G233 VanDerWaalsContact C-N 3.3Å; W231-G233 PolarHBondContact O-N 2.8Å; W231-I543 HydrophobicContact CB-CB 4.4Å; W231-I543 HydrophobicContact CB-CG2 4.18Å; W231-I543 HydrophobicContact CD2-CB 4.26Å; W231-I543 HydrophobicContact CD2-CD1 4.09Å; W231-I543 HydrophobicContact CE3-CD1 3.63Å; W231-I543 HydrophobicContact CG-CB 4.18Å; W231-I543 HydrophobicContact CG-CG2 4.46Å; W231-I543 HydrophobicContact CH2-CD1 4.25Å; W231-I543 HydrophobicContact CZ3-CD1 3.71Å |
| 232 | I | 95 | Very high | 95 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 175.9 | -66.4 | 167.6 | 0 | 0 | 0 | 109.8 | A207 L210 L211 Q228 R234 Y423 R424 L425 L547 | A207-I232 HydrophobicContact CB-CG2 4.34Å; L210-I232 HydrophobicContact CB-CD1 4Å; L211-I232 HydrophobicContact CB-CD1 4.19Å; L211-I232 HydrophobicContact CB-CG2 4.29Å; L211-I232 HydrophobicContact CD1-CB 4.39Å; L211-I232 HydrophobicContact CD1-CD1 4.29Å; L211-I232 HydrophobicContact CD1-CG2 4.41Å; Q228-I232 WeakPolarHBondContact O-CB 3.39Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 3.1Å; I232-R234 PolarHBondContact O-N 2.75Å; I232-Y423 HydrophobicContact CG2-CD1 3.93Å; I232-R424 PolarHBondContact O-N 3.2Å; I232-L425 PolarHBondContact O-N 2.91Å; I232-L547 HydrophobicContact CD1-CD1 4.14Å; I232-L547 HydrophobicContact CG1-CD1 4.37Å |
| 233 | G | 92.7 | Very high | 95 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | trans | 55.8 | 50.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R229 W231 S235 R424 | R229-G233 PolarHBondContact O-N 3.28Å; W231-G233 VanDerWaalsContact C-N 3.3Å; W231-G233 PolarHBondContact O-N 2.8Å; G233-S235 PolarHBondContact O-N 3.34Å; G233-R424 PolarHBondContact O-N 3.01Å; G233-R424 VanDerWaalsContact O-N 3.08Å | ||
| 234 | R | 93.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 38.4 Ų | 38.4 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | trans | -63 | 132.8 | 173.2 | -177.8 | -179.1 | -172.7 | -78.1 | -4.3 | 109.6 | D208 L211 I232 E236 V421 Y423 | D208-R234 WeakPolarHBondContact OD1-CD 3.34Å; D208-R234 IonicContact OD1-CZ 3.51Å; D208-R234 IonicContact OD1-NE 2.82Å; D208-R234 PolarHBondContact OD1-NE 2.91Å; L211-R234 HydrophobicContact CD2-CB 3.44Å; L211-R234 VanDerWaalsContact CD2-CB 3.44Å; L211-R234 VanDerWaalsContact CD2-CD 3.49Å; L211-R234 HydrophobicContact CD2-CG 4.11Å; I232-R234 PolarHBondContact O-N 2.75Å; R234-E236 IonicContact CZ-OE1 3.11Å; R234-E236 IonicContact NH1-OE1 2.64Å; R234-E236 PolarHBondContact NH1-OE1 2.99Å; R234-E236 IonicContact NH2-OE1 3.82Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å; R234-V421 HydrophobicContact CG-CG1 4.12Å; R234-Y423 HydrophobicContact CB-CD1 3.82Å; R234-Y423 HydrophobicContact CB-CE1 3.73Å; R234-Y423 HydrophobicContact CG-CD1 4.13Å; R234-Y423 HydrophobicContact CG-CE1 3.61Å | ||
| 235 | S | 90.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.2 | 176.2 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | G233 Y254 V421 N422 | G233-S235 PolarHBondContact O-N 3.34Å; S235-Y254 PolarHBondContact O-OH 3.45Å; S235-Y254 PolarHBondContact OG-OH 3.38Å; S235-V421 WeakPolarHBondContact O-CA 3.47Å; S235-N422 PolarHBondContact N-O 2.94Å; S235-N422 PolarHBondContact O-N 3.47Å; S235-N422 PolarHBondContact OG-O 3.25Å |
| 236 | E | 91.5 | Very high | 95 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.9 | 171.9 | -61 | -175.6 | 171 | 0 | 0 | 107.9 | R234 V421 | R234-E236 IonicContact CZ-OE1 3.11Å; R234-E236 IonicContact NH1-OE1 2.64Å; R234-E236 PolarHBondContact NH1-OE1 2.99Å; R234-E236 IonicContact NH2-OE1 3.82Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å; E236-V421 HydrophobicContact CG-CG2 4.33Å |
| 237 | G | 93.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | -161.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y254 T255 R419 K420 | G237-Y254 PolarHBondContact N-OH 2.8Å; G237-T255 CarbonylContact C-O 3.56Å; G237-T255 WeakPolarHBondContact CA-O 3.29Å; G237-R419 WeakPolarHBondContact O-CA 3.35Å; G237-K420 CarbonylContact C-O 3.57Å; G237-K420 PolarHBondContact N-O 3.33Å; G237-K420 PolarHBondContact O-N 3.14Å |
| 238 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.7 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | I240 T255 P258 F404 A408 L411 E418 | V238-I240 HydrophobicContact CB-CG1 4.31Å; V238-I240 HydrophobicContact CG1-CD1 4.43Å; V238-I240 HydrophobicContact CG1-CG1 3.76Å; V238-T255 PolarHBondContact N-O 2.79Å; V238-T255 PolarHBondContact O-N 2.96Å; V238-P258 HydrophobicContact CB-CB 4.23Å; V238-P258 HydrophobicContact CG2-CB 3.85Å; V238-P258 HydrophobicContact CG2-CG 3.8Å; V238-F404 HydrophobicContact CG2-CE1 4.35Å; V238-F404 HydrophobicContact CG2-CZ 4.28Å; V238-A408 HydrophobicContact CG2-CB 3.69Å; V238-L411 HydrophobicContact CG1-CD1 4.35Å; V238-E418 CarbonylContact C-O 3.48Å; V238-E418 WeakPolarHBondContact CA-O 3.45Å; V238-E418 WeakPolarHBondContact CG1-O 3.21Å |
| 239 | E | 97.2 | Very high | 94.5 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 130.1 | 162.2 | -80.1 | -174.4 | -164.2 | 0 | 0 | 108.9 | T252 V253 Y254 G417 E418 K420 | E239-T252 HydrophobicContact CB-CG2 3.94Å; E239-T252 HydrophobicContact CG-CG2 4.35Å; E239-V253 CarbonylContact C-O 3.54Å; E239-V253 WeakPolarHBondContact CA-O 3.43Å; E239-Y254 HydrophobicContact CG-CD2 4.14Å; E239-G417 CarbonylContact O-C 3.44Å; E239-G417 WeakPolarHBondContact O-CA 3.08Å; E239-E418 PolarHBondContact N-O 2.77Å; E239-E418 PolarHBondContact O-N 3.24Å; E239-K420 HydrophobicContact CG-CB 3.98Å; E239-K420 HydrophobicContact CG-CG 4.05Å |
| 240 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126 | -174.6 | -50 | 177.7 | 0 | 0 | 0 | 108.8 | V238 F242 T252 V253 T255 F261 P320 M344 L411 | V238-I240 HydrophobicContact CB-CG1 4.31Å; V238-I240 HydrophobicContact CG1-CD1 4.43Å; V238-I240 HydrophobicContact CG1-CG1 3.76Å; I240-F242 HydrophobicContact CB-CE2 4.15Å; I240-F242 HydrophobicContact CG2-CD2 4.32Å; I240-F242 HydrophobicContact CG2-CE2 3.83Å; I240-F242 HydrophobicContact CG2-CZ 4.37Å; I240-T252 CarbonylContact O-C 3.55Å; I240-T252 VanDerWaalsContact O-CA 3.31Å; I240-T252 WeakPolarHBondContact O-CA 3.33Å; I240-V253 HydrophobicContact CB-CG2 4.05Å; I240-V253 PolarHBondContact N-O 2.7Å; I240-V253 PolarHBondContact O-N 3.3Å; I240-T255 HydrophobicContact CD1-CG2 3.99Å; I240-F261 HydrophobicContact CD1-CD2 3.64Å; I240-F261 HydrophobicContact CD1-CE2 3.5Å; I240-F261 VanDerWaalsContact CD1-CE2 3.5Å; I240-F261 HydrophobicContact CD1-CG 4.25Å; I240-F261 HydrophobicContact CD1-CZ 4.06Å; I240-F261 HydrophobicContact CG2-CE1 4.47Å; I240-F261 HydrophobicContact CG2-CE2 3.91Å; I240-F261 HydrophobicContact CG2-CZ 3.63Å; I240-P320 HydrophobicContact CG2-CG 4.45Å; I240-M344 HydrophobicContact CD1-SD 3.91Å; I240-L411 HydrophobicContact CD1-CD1 3.7Å; I240-L411 HydrophobicContact CG1-CD1 3.89Å; I240-L411 HydrophobicContact CG2-CD1 4.23Å; I240-L411 HydrophobicContact CG2-CD2 4.4Å |
| 241 | T | 98.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.2 | -178.1 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | T250 T252 V416 | T241-T250 VanDerWaalsContact CG2-CB 3.46Å; T241-T250 HydrophobicContact CG2-CG2 3.83Å; T241-T252 PolarHBondContact OG1-OG1 3.4Å; T241-V416 PolarHBondContact N-O 3.27Å |
| 242 | F | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.5 | 175.7 | -67.4 | -103.8 | 0 | 0 | 0 | 110.3 | I240 T250 L251 V253 F261 L267 A317 V318 P320 I326 | I240-F242 HydrophobicContact CB-CE2 4.15Å; I240-F242 HydrophobicContact CG2-CD2 4.32Å; I240-F242 HydrophobicContact CG2-CE2 3.83Å; I240-F242 HydrophobicContact CG2-CZ 4.37Å; F242-T250 WeakPolarHBondContact O-CA 3.23Å; F242-L251 PolarHBondContact N-O 2.75Å; F242-L251 PolarHBondContact O-N 2.91Å; F242-V253 HydrophobicContact CD2-CG1 4.43Å; F242-V253 HydrophobicContact CD2-CG2 4.3Å; F242-V253 HydrophobicContact CE2-CG1 4.33Å; F242-V253 HydrophobicContact CE2-CG2 3.65Å; F242-F261 HydrophobicContact CE1-CE2 4.32Å; F242-F261 HydrophobicContact CE1-CZ 4.23Å; F242-F261 HydrophobicContact CE2-CE2 4.21Å; F242-F261 HydrophobicContact CE2-CZ 4.47Å; F242-F261 AromaticContact CZ-CE2 3.53Å; F242-F261 HydrophobicContact CZ-CE2 3.53Å; F242-F261 AromaticContact CZ-CZ 3.78Å; F242-F261 HydrophobicContact CZ-CZ 3.78Å; F242-L267 HydrophobicContact CB-CD1 4.09Å; F242-L267 HydrophobicContact CD1-CD1 3.89Å; F242-L267 HydrophobicContact CD1-CD2 4.47Å; F242-L267 HydrophobicContact CD2-CD1 4.01Å; F242-L267 HydrophobicContact CD2-CD2 4.45Å; F242-L267 HydrophobicContact CE1-CD1 4.25Å; F242-L267 HydrophobicContact CE1-CD2 4Å; F242-L267 HydrophobicContact CE2-CD1 4.37Å; F242-L267 HydrophobicContact CE2-CD2 3.99Å; F242-L267 HydrophobicContact CG-CD1 3.74Å; F242-L267 HydrophobicContact CZ-CD1 4.45Å; F242-L267 HydrophobicContact CZ-CD2 3.71Å; F242-A317 HydrophobicContact CB-CB 4.2Å; F242-A317 HydrophobicContact CD1-CB 4.32Å; F242-V318 WeakPolarHBondContact CD1-O 3.38Å; F242-P320 HydrophobicContact CD1-CG 4.36Å; F242-P320 HydrophobicContact CE1-CG 4.49Å; F242-I326 HydrophobicContact CD1-CD1 4.25Å; F242-I326 HydrophobicContact CE1-CD1 3.75Å |
| 243 | N | 97.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.5 | 162.4 | -67.4 | -34.9 | 0 | 0 | 0 | 109.1 | A317 V318 | N243-A317 CarbonylContact O-C 3.48Å; N243-A317 WeakPolarHBondContact O-CA 3.39Å; N243-V318 PolarHBondContact O-N 3.45Å |
| 244 | V | 97.5 | Very high | 95.3 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.6 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | Y247 L251 L275 F315 A317 | V244-Y247 HydrophobicContact CB-CD1 4.06Å; V244-Y247 HydrophobicContact CB-CG 4.4Å; V244-Y247 HydrophobicContact CG1-CD1 4.39Å; V244-Y247 HydrophobicContact CG1-CG 4.37Å; V244-Y247 HydrophobicContact CG2-CD1 4.44Å; V244-Y247 PolarHBondContact O-N 3.2Å; V244-L251 HydrophobicContact CG2-CB 3.91Å; V244-L275 HydrophobicContact CG1-CD1 4.22Å; V244-L275 HydrophobicContact CG2-CD1 4.11Å; V244-F315 HydrophobicContact CG1-CB 3.8Å; V244-F315 HydrophobicContact CG1-CD1 3.86Å; V244-F315 HydrophobicContact CG1-CG 4.06Å; V244-A317 HydrophobicContact CG2-CB 4.26Å |
| 245 | N | 94.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 138.1 | 178.7 | -71.2 | -11.3 | 0 | 0 | 0 | 109.8 | Y247 K316 V318 E325 | N245-Y247 PolarHBondContact O-N 2.82Å; N245-K316 PolarHBondContact N-O 3.33Å; N245-V318 WeakPolarHBondContact OD1-CG2 3.35Å; N245-E325 PolarHBondContact ND2-OE1 2.93Å |
| 246 | D | 93.3 | Very high | 95.5 | Very high | 164 Ų | 164 | 50.1 Ų | 50.1 | 88% | 0.877 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 27.3 | -177.9 | -54.3 | -50.3 | 0 | 0 | 0 | 114.8 | ||
| 247 | Y | 94.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | trans | -134.3 | 133.1 | 176.8 | -173.7 | -117.8 | 0 | 0 | 0 | 111.5 | V244 N245 N249 L275 K278 F315 | V244-Y247 HydrophobicContact CB-CD1 4.06Å; V244-Y247 HydrophobicContact CB-CG 4.4Å; V244-Y247 HydrophobicContact CG1-CD1 4.39Å; V244-Y247 HydrophobicContact CG1-CG 4.37Å; V244-Y247 HydrophobicContact CG2-CD1 4.44Å; V244-Y247 PolarHBondContact O-N 3.2Å; N245-Y247 PolarHBondContact O-N 2.82Å; Y247-N249 VanDerWaalsContact C-N 3.31Å; Y247-N249 HydrophobicContact CD1-CB 4.26Å; Y247-N249 WeakPolarHBondContact CD1-O 3.19Å; Y247-N249 HydrophobicContact CE1-CB 3.66Å; Y247-N249 PolarHBondContact O-N 2.85Å; Y247-L275 HydrophobicContact CD1-CD1 4.15Å; Y247-L275 HydrophobicContact CE1-CB 4.45Å; Y247-L275 HydrophobicContact CE1-CD1 4.09Å; Y247-L275 HydrophobicContact CE1-CG 4.49Å; Y247-K278 HydrophobicContact CE2-CB 4.47Å; Y247-K278 HydrophobicContact CE2-CG 4.33Å; Y247-F315 HydrophobicContact CD2-CE1 4.3Å; Y247-F315 HydrophobicContact CD2-CZ 4.11Å; Y247-F315 HydrophobicContact CG-CE1 4.45Å | ||
| 248 | D | 89.3 | Confident | 96 | Very high | 168 Ų | 168 | 46.3 Ų | 46.3 | 90% | 0.898 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -72.5 | -21.2 | -169.8 | -63.8 | -40.5 | 0 | 0 | 0 | 114.3 | ||
| 249 | N | 93.8 | Very high | 96 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -111.8 | 167.6 | -176.9 | -75.1 | -47.4 | 0 | 0 | 0 | 111.6 | Y247 | Y247-N249 VanDerWaalsContact C-N 3.31Å; Y247-N249 HydrophobicContact CD1-CB 4.26Å; Y247-N249 WeakPolarHBondContact CD1-O 3.19Å; Y247-N249 HydrophobicContact CE1-CB 3.66Å; Y247-N249 PolarHBondContact O-N 2.85Å |
| 250 | T | 95.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | trans | -88.5 | 160.7 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | T241 F242 | T241-T250 VanDerWaalsContact CG2-CB 3.46Å; T241-T250 HydrophobicContact CG2-CG2 3.83Å; F242-T250 WeakPolarHBondContact O-CA 3.23Å | ||
| 251 | L | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.8 | 171.4 | -179.5 | 64.3 | 0 | 0 | 0 | 109.5 | F242 V244 L267 V269 H273 L275 V328 A342 | F242-L251 PolarHBondContact N-O 2.75Å; F242-L251 PolarHBondContact O-N 2.91Å; V244-L251 HydrophobicContact CG2-CB 3.91Å; L251-L267 HydrophobicContact CD2-CB 4.39Å; L251-L267 HydrophobicContact CD2-CD1 3.7Å; L251-V269 HydrophobicContact CD1-CG1 3.84Å; L251-V269 HydrophobicContact CD2-CG1 3.77Å; L251-V269 HydrophobicContact CG-CG1 4.45Å; L251-H273 WeakPolarHBondContact CD1-CE1 3.41Å; L251-L275 HydrophobicContact CD2-CD1 4.36Å; L251-V328 HydrophobicContact CD2-CG1 4.35Å; L251-A342 HydrophobicContact CD1-CB 3.7Å; L251-A342 HydrophobicContact CG-CB 4.26Å |
| 252 | T | 97.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.2 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | E239 I240 T241 T340 | E239-T252 HydrophobicContact CB-CG2 3.94Å; E239-T252 HydrophobicContact CG-CG2 4.35Å; I240-T252 CarbonylContact O-C 3.55Å; I240-T252 VanDerWaalsContact O-CA 3.31Å; I240-T252 WeakPolarHBondContact O-CA 3.33Å; T241-T252 PolarHBondContact OG1-OG1 3.4Å; T252-T340 HydrophobicContact CG2-CG2 4.03Å; T252-T340 VanDerWaalsContact O-CB 3.24Å; T252-T340 WeakPolarHBondContact O-CB 3.17Å; T252-T340 PolarHBondContact O-OG1 3.33Å |
| 253 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 162.6 | 174.1 | -54 | 0 | 0 | 0 | 0 | 110.3 | E239 I240 F242 L267 T340 A342 M344 | E239-V253 CarbonylContact C-O 3.54Å; E239-V253 WeakPolarHBondContact CA-O 3.43Å; I240-V253 HydrophobicContact CB-CG2 4.05Å; I240-V253 PolarHBondContact N-O 2.7Å; I240-V253 PolarHBondContact O-N 3.3Å; F242-V253 HydrophobicContact CD2-CG1 4.43Å; F242-V253 HydrophobicContact CD2-CG2 4.3Å; F242-V253 HydrophobicContact CE2-CG1 4.33Å; F242-V253 HydrophobicContact CE2-CG2 3.65Å; V253-L267 HydrophobicContact CG1-CD2 4.46Å; V253-T340 WeakPolarHBondContact CA-OG1 3.36Å; V253-A342 WeakPolarHBondContact CA-O 3.26Å; V253-A342 HydrophobicContact CG1-CB 3.91Å; V253-M344 HydrophobicContact CG2-CB 4.04Å; V253-M344 HydrophobicContact CG2-CG 4.32Å |
| 254 | Y | 94.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.6 | 169.7 | 173.3 | -105.3 | 0 | 0 | 0 | 111.1 | S235 G237 E239 T256 K420 N422 | S235-Y254 PolarHBondContact O-OH 3.45Å; S235-Y254 PolarHBondContact OG-OH 3.38Å; G237-Y254 PolarHBondContact N-OH 2.8Å; E239-Y254 HydrophobicContact CG-CD2 4.14Å; Y254-T256 HydrophobicContact CE1-CG2 3.91Å; Y254-K420 HydrophobicContact CD2-CB 4.34Å; Y254-K420 HydrophobicContact CE2-CB 4.19Å; Y254-K420 HydrophobicContact CE2-CG 4.49Å; Y254-N422 WeakPolarHBondContact CD1-ND2 3.37Å; Y254-N422 WeakPolarHBondContact CD2-ND2 3.4Å; Y254-N422 HydrophobicContact CE1-CB 3.89Å; Y254-N422 HydrophobicContact CE2-CB 4.15Å; Y254-N422 VanDerWaalsContact CE2-ND2 3.29Å; Y254-N422 WeakPolarHBondContact CE2-ND2 3.34Å |
| 255 | T | 95 | Very high | 96.2 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143.4 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | G237 V238 I240 R257 P258 M344 | G237-T255 CarbonylContact C-O 3.56Å; G237-T255 WeakPolarHBondContact CA-O 3.29Å; V238-T255 PolarHBondContact N-O 2.79Å; V238-T255 PolarHBondContact O-N 2.96Å; I240-T255 HydrophobicContact CD1-CG2 3.99Å; T255-R257 VanDerWaalsContact C-N 3.33Å; T255-R257 PolarHBondContact OG1-N 3.49Å; T255-P258 HydrophobicContact CG2-CB 4.28Å; T255-M344 HydrophobicContact CG2-CE 3.57Å; T255-M344 HydrophobicContact CG2-SD 3.68Å; T255-M344 WeakPolarHBondContact OG1-CE 3.46Å |
| 256 | T | 94.2 | Very high | 96.4 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -90.8 | -0.7 | 167.3 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | Y254 | Y254-T256 HydrophobicContact CE1-CG2 3.91Š|
| 257 | R | 96.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 29 Ų | 29 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | trans | -123.9 | 55.5 | -179.3 | -63.4 | -60.1 | -57.9 | -87 | 3.7 | 111.9 | T255 D259 T260 M344 T384 | T255-R257 VanDerWaalsContact C-N 3.33Å; T255-R257 PolarHBondContact OG1-N 3.49Å; R257-D259 VanDerWaalsContact C-OD1 3.24Å; R257-D259 WeakPolarHBondContact CA-OD1 3.23Å; R257-D259 IonicContact CZ-OD1 3.28Å; R257-D259 IonicContact CZ-OD2 2.7Å; R257-D259 IonicContact NE-OD1 3.36Å; R257-D259 PolarHBondContact NE-OD1 2.84Å; R257-D259 IonicContact NE-OD2 3.69Å; R257-D259 PolarHBondContact NE-OD2 3.46Å; R257-D259 VanDerWaalsContact NE-OD2 3.14Å; R257-D259 IonicContact NH2-OD1 2.6Å; R257-D259 IonicContact NH2-OD2 3.56Å; R257-D259 PolarHBondContact NH2-OD2 3.28Å; R257-D259 PolarHBondContact O-N 2.86Å; R257-T260 HydrophobicContact CB-CG2 4.29Å; R257-T260 PolarHBondContact O-N 2.73Å; R257-T260 VanDerWaalsContact O-N 3.08Å; R257-T260 PolarHBondContact O-OG1 2.66Å; R257-M344 WeakPolarHBondContact O-CE 3.26Å; R257-T384 PolarHBondContact NH1-O 3.21Å | ||
| 258 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -62.7 | -21.4 | 173.1 | 31.1 | -37.5 | 0 | 0 | 0 | 111.7 | V238 T255 T260 F261 F404 I407 | V238-P258 HydrophobicContact CB-CB 4.23Å; V238-P258 HydrophobicContact CG2-CB 3.85Å; V238-P258 HydrophobicContact CG2-CG 3.8Å; T255-P258 HydrophobicContact CG2-CB 4.28Å; P258-T260 PolarHBondContact O-N 3.03Å; P258-F261 WeakPolarHBondContact O-CB 3.19Å; P258-F261 PolarHBondContact O-N 3.18Å; P258-F261 VanDerWaalsContact O-N 3.09Å; P258-F404 HydrophobicContact CG-CB 4.35Å; P258-F404 HydrophobicContact CG-CD1 4.05Å; P258-F404 HydrophobicContact CG-CD2 3.23Å; P258-F404 HydrophobicContact CG-CE1 4.09Å; P258-F404 HydrophobicContact CG-CE2 3.31Å; P258-F404 HydrophobicContact CG-CG 3.62Å; P258-F404 HydrophobicContact CG-CZ 3.74Å; P258-I407 HydrophobicContact CB-CG2 4.34Å; P258-I407 WeakPolarHBondContact O-CD1 3.34Å; P258-I407 WeakPolarHBondContact O-CG2 3.48Å |
| 259 | D | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -55 | -33.4 | 171.5 | 58.6 | -51 | 0 | 0 | 0 | 112.2 | R257 F261 L389 H400 A403 | R257-D259 VanDerWaalsContact C-OD1 3.24Å; R257-D259 WeakPolarHBondContact CA-OD1 3.23Å; R257-D259 IonicContact CZ-OD1 3.28Å; R257-D259 IonicContact CZ-OD2 2.7Å; R257-D259 IonicContact NE-OD1 3.36Å; R257-D259 PolarHBondContact NE-OD1 2.84Å; R257-D259 IonicContact NE-OD2 3.69Å; R257-D259 PolarHBondContact NE-OD2 3.46Å; R257-D259 VanDerWaalsContact NE-OD2 3.14Å; R257-D259 IonicContact NH2-OD1 2.6Å; R257-D259 IonicContact NH2-OD2 3.56Å; R257-D259 PolarHBondContact NH2-OD2 3.28Å; R257-D259 PolarHBondContact O-N 2.86Å; D259-F261 VanDerWaalsContact C-N 3.34Å; D259-F261 PolarHBondContact O-N 2.95Å; D259-L389 WeakPolarHBondContact O-CD1 3.29Å; D259-L389 WeakPolarHBondContact O-CD2 3.24Å; D259-H400 IonicContact OD1-CE1 3.9Å; D259-H400 IonicContact OD1-ND1 3.96Å; D259-H400 IonicContact OD2-CE1 2.7Å; D259-H400 IonicContact OD2-CG 2.73Å; D259-H400 IonicContact OD2-ND1 3.49Å; D259-H400 PolarHBondContact OD2-ND1 2.86Å; D259-A403 HydrophobicContact CB-CB 3.98Å |
| 260 | T | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -92.3 | 9.6 | -178.6 | 70.4 | 0 | 0 | 0 | 0 | 113.6 | R257 P258 M262 G263 H349 I368 | R257-T260 HydrophobicContact CB-CG2 4.29Å; R257-T260 PolarHBondContact O-N 2.73Å; R257-T260 VanDerWaalsContact O-N 3.08Å; R257-T260 PolarHBondContact O-OG1 2.66Å; P258-T260 PolarHBondContact O-N 3.03Å; T260-M262 VanDerWaalsContact C-N 3.28Å; T260-M262 PolarHBondContact O-N 2.94Å; T260-M262 VanDerWaalsContact O-N 3.13Å; T260-G263 WeakPolarHBondContact O-CA 3.32Å; T260-G263 PolarHBondContact O-N 3.12Å; T260-H349 HydrophobicContact CG2-CB 3.91Å; T260-I368 HydrophobicContact CG2-CD1 3.95Å; T260-I368 HydrophobicContact CG2-CG1 3.79Å |
| 261 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -55.9 | -38.2 | -168.5 | -173.4 | -129.4 | 0 | 0 | 0 | 114.2 | I240 F242 P258 D259 G263 C264 H319 P320 L321 M344 I407 L411 | I240-F261 HydrophobicContact CD1-CD2 3.64Å; I240-F261 HydrophobicContact CD1-CE2 3.5Å; I240-F261 VanDerWaalsContact CD1-CE2 3.5Å; I240-F261 HydrophobicContact CD1-CG 4.25Å; I240-F261 HydrophobicContact CD1-CZ 4.06Å; I240-F261 HydrophobicContact CG2-CE1 4.47Å; I240-F261 HydrophobicContact CG2-CE2 3.91Å; I240-F261 HydrophobicContact CG2-CZ 3.63Å; F242-F261 HydrophobicContact CE1-CE2 4.32Å; F242-F261 HydrophobicContact CE1-CZ 4.23Å; F242-F261 HydrophobicContact CE2-CE2 4.21Å; F242-F261 HydrophobicContact CE2-CZ 4.47Å; F242-F261 AromaticContact CZ-CE2 3.53Å; F242-F261 HydrophobicContact CZ-CE2 3.53Å; F242-F261 AromaticContact CZ-CZ 3.78Å; F242-F261 HydrophobicContact CZ-CZ 3.78Å; P258-F261 WeakPolarHBondContact O-CB 3.19Å; P258-F261 PolarHBondContact O-N 3.18Å; P258-F261 VanDerWaalsContact O-N 3.09Å; D259-F261 VanDerWaalsContact C-N 3.34Å; D259-F261 PolarHBondContact O-N 2.95Å; F261-G263 PolarHBondContact O-N 2.91Å; F261-G263 VanDerWaalsContact O-N 3.09Å; F261-C264 WeakPolarHBondContact O-CB 3.27Å; F261-C264 PolarHBondContact O-N 3.33Å; F261-H319 AromaticContact CD1-CE1 3.74Å; F261-H319 AromaticContact CE1-CE1 3.42Å; F261-H319 VanDerWaalsContact CE1-CE1 3.42Å; F261-H319 WeakPolarHBondContact CE1-CE1 3.34Å; F261-H319 AromaticContact CE1-NE2 3.96Å; F261-H319 AromaticContact CZ-CE1 3.86Å; F261-H319 PolarHBondContact O-NE2 3.25Å; F261-H319 VanDerWaalsContact O-NE2 3.16Å; F261-P320 HydrophobicContact CZ-CG 4.19Å; F261-L321 HydrophobicContact CD1-CD1 3.59Å; F261-L321 HydrophobicContact CD1-CG 4.12Å; F261-L321 HydrophobicContact CE1-CD1 3.91Å; F261-L321 HydrophobicContact CE1-CG 3.91Å; F261-M344 HydrophobicContact CB-CE 4.46Å; F261-M344 HydrophobicContact CD2-CE 3.96Å; F261-M344 HydrophobicContact CD2-SD 3.47Å; F261-M344 WeakPolarHBondContact CD2-SD 2.95Å; F261-M344 HydrophobicContact CE2-SD 3.84Å; F261-I407 HydrophobicContact CB-CG2 4.05Å; F261-I407 HydrophobicContact CD1-CG2 4.27Å; F261-I407 HydrophobicContact CG-CG2 4.49Å; F261-L411 HydrophobicContact CD1-CD1 4.25Å; F261-L411 HydrophobicContact CD1-CD2 4.35Å; F261-L411 HydrophobicContact CE1-CD1 4.22Å; F261-L411 HydrophobicContact CE1-CD2 3.75Å; F261-L411 HydrophobicContact CZ-CD2 4.39Å |
| 262 | M | 98.5 | Very high | 96.2 | Very high | 18 Ų | 18 | 12.2 Ų | 12.2 | 9% | 0.089 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -65.8 | -12.6 | 178.5 | -59.9 | -57.3 | -66.2 | 0 | 0 | 113.9 | T260 L321 T322 K365 V367 F395 | T260-M262 VanDerWaalsContact C-N 3.28Å; T260-M262 PolarHBondContact O-N 2.94Å; T260-M262 VanDerWaalsContact O-N 3.13Å; M262-L321 HydrophobicContact CE-CB 4.37Å; M262-L321 HydrophobicContact SD-CB 3.8Å; M262-L321 HydrophobicContact SD-CD1 3.71Å; M262-L321 HydrophobicContact SD-CG 4.38Å; M262-T322 HydrophobicContact CE-CG2 3.42Å; M262-T322 VanDerWaalsContact CE-CG2 3.42Å; M262-T322 HydrophobicContact SD-CG2 4.49Å; M262-K365 WeakPolarHBondContact O-CD 3.45Å; M262-K365 WeakPolarHBondContact O-CE 3.47Å; M262-K365 PolarHBondContact O-NZ 2.89Å; M262-V367 HydrophobicContact CB-CG1 4.26Å; M262-F395 HydrophobicContact CG-CD2 4.33Å |
| 263 | G | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -90.3 | 1.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T260 F261 T265 | T260-G263 WeakPolarHBondContact O-CA 3.32Å; T260-G263 PolarHBondContact O-N 3.12Å; F261-G263 PolarHBondContact O-N 2.91Å; F261-G263 VanDerWaalsContact O-N 3.09Å; G263-T265 PolarHBondContact O-N 3.25Å |
| 264 | C | 98.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 5% | 0.047 | 9% | 0.09 | C | C | . | . | trans | -68.3 | 114.8 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | F261 Y266 A345 V346 | F261-C264 WeakPolarHBondContact O-CB 3.27Å; F261-C264 PolarHBondContact O-N 3.33Å; C264-Y266 PolarHBondContact SG-O 3.39Å; C264-A345 WeakPolarHBondContact CA-O 3.44Å; C264-V346 HydrophobicContact CB-CG2 4.25Å | ||
| 265 | T | 98.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 13.8 Ų | 13.8 | 9% | 0.086 | 9% | 0.087 | C | C | . | . | trans | -111.9 | -14.6 | -176.7 | 55 | 0 | 0 | 0 | 0 | 114 | G263 P327 A345 P347 N363 K365 | G263-T265 PolarHBondContact O-N 3.25Å; T265-P327 WeakPolarHBondContact O-CD 3.5Å; T265-A345 PolarHBondContact N-O 2.68Å; T265-P347 WeakPolarHBondContact OG1-CD 3.48Å; T265-N363 VanDerWaalsContact CB-O 3.29Å; T265-N363 WeakPolarHBondContact CB-O 3.18Å; T265-N363 HydrophobicContact CG2-CB 3.98Å; T265-N363 WeakPolarHBondContact CG2-O 3.43Å; T265-N363 PolarHBondContact OG1-O 3.07Å; T265-K365 HydrophobicContact CG2-CB 3.77Å | ||
| 266 | Y | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164.3 | 171.9 | 68.3 | -83.8 | 0 | 0 | 0 | 110.3 | C264 A268 P327 A345 P347 D353 F356 A357 L362 | C264-Y266 PolarHBondContact SG-O 3.39Å; Y266-A268 HydrophobicContact CE2-CB 4.28Å; Y266-P327 WeakPolarHBondContact CA-O 3.43Å; Y266-P327 WeakPolarHBondContact CB-O 3.29Å; Y266-A345 HydrophobicContact CD1-CB 3.68Å; Y266-A345 HydrophobicContact CD2-CB 3.59Å; Y266-A345 HydrophobicContact CE1-CB 3.35Å; Y266-A345 HydrophobicContact CE2-CB 3.23Å; Y266-A345 HydrophobicContact CG-CB 3.79Å; Y266-A345 WeakPolarHBondContact O-CB 3.38Å; Y266-A345 PolarHBondContact O-N 3.06Å; Y266-P347 HydrophobicContact CD1-CG 4.25Å; Y266-P347 HydrophobicContact CE1-CG 3.58Å; Y266-D353 WeakPolarHBondContact OH-CA 3.39Å; Y266-D353 PolarHBondContact OH-O 2.92Å; Y266-F356 AromaticContact CE2-CD1 3.67Å; Y266-F356 HydrophobicContact CE2-CD1 3.67Å; Y266-F356 AromaticContact CE2-CE1 3.85Å; Y266-F356 HydrophobicContact CE2-CE1 3.85Å; Y266-F356 AromaticContact CZ-CD1 3.59Å; Y266-F356 VanDerWaalsContact OH-CD1 3.28Å; Y266-F356 WeakPolarHBondContact OH-CD1 3.3Å; Y266-A357 HydrophobicContact CE1-CB 4.13Å; Y266-L362 HydrophobicContact CD1-CB 4.27Å; Y266-L362 HydrophobicContact CD1-CD1 3.73Å; Y266-L362 HydrophobicContact CD2-CD1 4.05Å; Y266-L362 HydrophobicContact CE1-CB 4.43Å; Y266-L362 HydrophobicContact CE1-CD1 3.78Å; Y266-L362 HydrophobicContact CE2-CD1 4.12Å; Y266-L362 HydrophobicContact CG-CD1 3.87Å |
| 267 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.8 | 169.7 | -55.9 | -176.5 | 0 | 0 | 0 | 109.8 | F242 L251 V253 A317 I326 P327 V328 W329 M344 | F242-L267 HydrophobicContact CB-CD1 4.09Å; F242-L267 HydrophobicContact CD1-CD1 3.89Å; F242-L267 HydrophobicContact CD1-CD2 4.47Å; F242-L267 HydrophobicContact CD2-CD1 4.01Å; F242-L267 HydrophobicContact CD2-CD2 4.45Å; F242-L267 HydrophobicContact CE1-CD1 4.25Å; F242-L267 HydrophobicContact CE1-CD2 4Å; F242-L267 HydrophobicContact CE2-CD1 4.37Å; F242-L267 HydrophobicContact CE2-CD2 3.99Å; F242-L267 HydrophobicContact CG-CD1 3.74Å; F242-L267 HydrophobicContact CZ-CD1 4.45Å; F242-L267 HydrophobicContact CZ-CD2 3.71Å; L251-L267 HydrophobicContact CD2-CB 4.39Å; L251-L267 HydrophobicContact CD2-CD1 3.7Å; V253-L267 HydrophobicContact CG1-CD2 4.46Å; L267-A317 HydrophobicContact CD1-CB 3.39Å; L267-A317 HydrophobicContact CG-CB 4.25Å; L267-I326 HydrophobicContact CD1-CD1 4.31Å; L267-I326 HydrophobicContact CD2-CD1 3.76Å; L267-I326 HydrophobicContact CG-CD1 3.71Å; L267-I326 HydrophobicContact CG-CG1 4.3Å; L267-P327 PolarHBondContact N-O 3.49Å; L267-V328 HydrophobicContact CB-CG2 4.3Å; L267-V328 HydrophobicContact CD1-CG2 4.47Å; L267-V328 CarbonylContact O-C 3.45Å; L267-V328 WeakPolarHBondContact O-CA 3.34Å; L267-W329 PolarHBondContact O-N 2.73Å; L267-M344 HydrophobicContact CD2-CB 3.92Å |
| 268 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y266 W329 A331 F333 V334 A342 V343 | Y266-A268 HydrophobicContact CE2-CB 4.28Å; A268-W329 CarbonylContact C-O 3.55Å; A268-W329 VanDerWaalsContact CA-O 3.3Å; A268-W329 WeakPolarHBondContact CA-O 3.45Å; A268-A331 HydrophobicContact CB-CB 4.09Å; A268-F333 HydrophobicContact CB-CZ 4.5Å; A268-V334 HydrophobicContact CB-CG2 3.75Å; A268-A342 WeakPolarHBondContact O-CA 3.25Å; A268-V343 HydrophobicContact CB-CG2 3.94Å; A268-V343 PolarHBondContact N-O 2.81Å; A268-V343 PolarHBondContact O-N 2.86Å |
| 269 | V | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 149.7 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | L251 H273 A276 V328 W329 A330 A331 A342 | L251-V269 HydrophobicContact CD1-CG1 3.84Å; L251-V269 HydrophobicContact CD2-CG1 3.77Å; L251-V269 HydrophobicContact CG-CG1 4.45Å; V269-H273 HydrophobicContact CB-CB 3.94Å; V269-H273 HydrophobicContact CG2-CB 4.32Å; V269-A276 HydrophobicContact CG2-CB 4.04Å; V269-V328 HydrophobicContact CG1-CG1 3.95Å; V269-V328 HydrophobicContact CG2-CG1 4.24Å; V269-W329 PolarHBondContact N-O 2.95Å; V269-A330 WeakPolarHBondContact O-CA 3.39Å; V269-A331 PolarHBondContact O-N 3.44Å; V269-A342 HydrophobicContact CG1-CB 3.87Å |
| 270 | A | 91.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 148.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G272 H273 V334 M336 G341 | A270-G272 PolarHBondContact O-N 3.4Å; A270-G272 VanDerWaalsContact O-N 3.12Å; A270-H273 WeakPolarHBondContact O-CB 3.31Å; A270-H273 PolarHBondContact O-N 3.36Å; A270-V334 WeakPolarHBondContact CA-O 3.42Å; A270-V334 HydrophobicContact CB-CB 4.43Å; A270-V334 HydrophobicContact CB-CG1 4.16Å; A270-V334 WeakPolarHBondContact CB-O 3.26Å; A270-M336 HydrophobicContact CB-CB 3.94Å; A270-M336 HydrophobicContact CB-SD 4.1Å; A270-G341 WeakPolarHBondContact CB-O 3.26Å; A270-G341 PolarHBondContact N-O 2.82Å |
| 271 | A | 88.6 | Confident | 95.3 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H273 I290 C293 | A271-H273 VanDerWaalsContact C-N 3.32Å; A271-I290 HydrophobicContact CB-CG1 4.27Å; A271-I290 WeakPolarHBondContact O-CD1 3.36Å; A271-I290 WeakPolarHBondContact O-CG1 3.46Å; A271-C293 HydrophobicContact CB-CB 3.32Å |
| 272 | G | 86.4 | Confident | 95 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A270 Q277 | A270-G272 PolarHBondContact O-N 3.4Å; A270-G272 VanDerWaalsContact O-N 3.12Å; G272-Q277 PolarHBondContact O-NE2 3.31Å |
| 273 | H | 92.7 | Very high | 94.8 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -67.4 | 140.6 | -173.8 | -169 | -88.2 | 0 | 0 | 0 | 111.5 | L251 V269 A270 A271 L275 A276 Q277 M336 | L251-H273 WeakPolarHBondContact CD1-CE1 3.41Å; V269-H273 HydrophobicContact CB-CB 3.94Å; V269-H273 HydrophobicContact CG2-CB 4.32Å; A270-H273 WeakPolarHBondContact O-CB 3.31Å; A270-H273 PolarHBondContact O-N 3.36Å; A271-H273 VanDerWaalsContact C-N 3.32Å; H273-L275 WeakPolarHBondContact ND1-CB 3.34Å; H273-L275 PolarHBondContact ND1-N 3.46Å; H273-L275 VanDerWaalsContact ND1-N 3.2Å; H273-L275 PolarHBondContact O-N 3.25Å; H273-L275 VanDerWaalsContact O-N 3.12Å; H273-A276 HydrophobicContact CB-CB 4.47Å; H273-A276 WeakPolarHBondContact O-CA 3.31Å; H273-A276 WeakPolarHBondContact O-CB 3.4Å; H273-A276 PolarHBondContact O-N 3.09Å; H273-Q277 PolarHBondContact O-N 3.33Å; H273-M336 HydrophobicContact CB-SD 4.04Å |
| 274 | P | 93.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53 | -36.6 | -179 | -29.7 | 35.6 | 0 | 0 | 0 | 114.5 | Q277 K278 | P274-Q277 PolarHBondContact O-N 3.01Å; P274-K278 WeakPolarHBondContact O-CB 3.19Å; P274-K278 PolarHBondContact O-N 3.07Å |
| 275 | L | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.2 | -173.7 | 155 | 0 | 0 | 0 | 112.3 | V244 Y247 L251 H273 K278 A279 T313 F315 V328 | V244-L275 HydrophobicContact CG1-CD1 4.22Å; V244-L275 HydrophobicContact CG2-CD1 4.11Å; Y247-L275 HydrophobicContact CD1-CD1 4.15Å; Y247-L275 HydrophobicContact CE1-CB 4.45Å; Y247-L275 HydrophobicContact CE1-CD1 4.09Å; Y247-L275 HydrophobicContact CE1-CG 4.49Å; L251-L275 HydrophobicContact CD2-CD1 4.36Å; H273-L275 WeakPolarHBondContact ND1-CB 3.34Å; H273-L275 PolarHBondContact ND1-N 3.46Å; H273-L275 VanDerWaalsContact ND1-N 3.2Å; H273-L275 PolarHBondContact O-N 3.25Å; H273-L275 VanDerWaalsContact O-N 3.12Å; L275-K278 PolarHBondContact O-N 2.74Å; L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.5Å; L275-T313 HydrophobicContact CD2-CG2 4.2Å; L275-F315 HydrophobicContact CD2-CB 4.38Å; L275-F315 HydrophobicContact CD2-CD2 3.69Å; L275-F315 HydrophobicContact CD2-CE2 4.41Å; L275-F315 HydrophobicContact CD2-CG 4.35Å; L275-F315 HydrophobicContact CG-CD2 3.98Å; L275-F315 HydrophobicContact CG-CE2 4.37Å; L275-V328 HydrophobicContact CD2-CG1 3.85Å |
| 276 | A | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V269 H273 K278 A279 A280 I290 A330 | V269-A276 HydrophobicContact CG2-CB 4.04Å; H273-A276 HydrophobicContact CB-CB 4.47Å; H273-A276 WeakPolarHBondContact O-CA 3.31Å; H273-A276 WeakPolarHBondContact O-CB 3.4Å; H273-A276 PolarHBondContact O-N 3.09Å; A276-K278 VanDerWaalsContact C-N 3.33Å; A276-K278 PolarHBondContact O-N 3.13Å; A276-A279 PolarHBondContact O-N 2.65Å; A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3.18Å; A276-I290 HydrophobicContact CB-CD1 4.11Å; A276-A330 HydrophobicContact CB-CB 4.24Å |
| 277 | Q | 93.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174 | -66.6 | -177.5 | -7.3 | 0 | 0 | 111.6 | G272 H273 P274 A280 | G272-Q277 PolarHBondContact O-NE2 3.31Å; H273-Q277 PolarHBondContact O-N 3.33Å; P274-Q277 PolarHBondContact O-N 3.01Å; Q277-A280 PolarHBondContact O-N 3.18Å |
| 278 | K | 94.6 | Very high | 94 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.1 | -176.3 | 54.8 | 175.1 | 172.7 | 0 | 112.1 | Y247 P274 L275 A276 A280 E281 F315 | Y247-K278 HydrophobicContact CE2-CB 4.47Å; Y247-K278 HydrophobicContact CE2-CG 4.33Å; P274-K278 WeakPolarHBondContact O-CB 3.19Å; P274-K278 PolarHBondContact O-N 3.07Å; L275-K278 PolarHBondContact O-N 2.74Å; A276-K278 VanDerWaalsContact C-N 3.33Å; A276-K278 PolarHBondContact O-N 3.13Å; K278-A280 VanDerWaalsContact C-N 3.29Å; K278-A280 PolarHBondContact O-N 3.49Å; K278-E281 WeakPolarHBondContact CD-OE1 3.37Å; K278-E281 IonicContact NZ-OE1 3.39Å; K278-E281 PolarHBondContact NZ-OE1 2.97Å; K278-E281 IonicContact NZ-OE2 3.76Å; K278-E281 PolarHBondContact NZ-OE2 3.37Å; K278-E281 WeakPolarHBondContact O-CB 3.41Å; K278-E281 PolarHBondContact O-N 3.28Å; K278-F315 HydrophobicContact CG-CZ 4.4Å |
| 279 | A | 95.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L275 A276 E281 L286 T313 F315 | L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.5Å; A276-A279 PolarHBondContact O-N 2.65Å; A279-E281 VanDerWaalsContact C-N 3.27Å; A279-E281 PolarHBondContact O-N 3.36Å; A279-L286 HydrophobicContact CB-CD2 3.42Å; A279-L286 VanDerWaalsContact CB-CD2 3.42Å; A279-T313 WeakPolarHBondContact CB-O 3.47Å; A279-F315 HydrophobicContact CB-CD2 4.01Å; A279-F315 HydrophobicContact CB-CE2 3.84Å |
| 280 | A | 95.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -20.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | A276 Q277 K278 N282 N283 L286 A287 I290 | A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3.18Å; Q277-A280 PolarHBondContact O-N 3.18Å; K278-A280 VanDerWaalsContact C-N 3.29Å; K278-A280 PolarHBondContact O-N 3.49Å; A280-N282 PolarHBondContact O-N 2.8Å; A280-N282 VanDerWaalsContact O-N 3.12Å; A280-N283 PolarHBondContact O-N 3.43Å; A280-L286 HydrophobicContact CB-CD2 4.27Å; A280-L286 HydrophobicContact CB-CG 4.06Å; A280-A287 HydrophobicContact CB-CB 4.19Å; A280-I290 HydrophobicContact CB-CD1 3.71Å |
| 281 | E | 94.8 | Very high | 93.2 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33 | 178.4 | -68.2 | 175.1 | -170.4 | 0 | 0 | 112.6 | K278 A279 | K278-E281 WeakPolarHBondContact CD-OE1 3.37Å; K278-E281 IonicContact NZ-OE1 3.39Å; K278-E281 PolarHBondContact NZ-OE1 2.97Å; K278-E281 IonicContact NZ-OE2 3.76Å; K278-E281 PolarHBondContact NZ-OE2 3.37Å; K278-E281 WeakPolarHBondContact O-CB 3.41Å; K278-E281 PolarHBondContact O-N 3.28Å; A279-E281 VanDerWaalsContact C-N 3.27Å; A279-E281 PolarHBondContact O-N 3.36Å |
| 282 | N | 91.7 | Very high | 93 | Very high | 149 Ų | 149 | 55.9 Ų | 55.9 | 80% | 0.797 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 12.1 | -177.5 | -60.4 | -46.9 | 0 | 0 | 0 | 113.5 | A280 | A280-N282 PolarHBondContact O-N 2.8Å; A280-N282 VanDerWaalsContact O-N 3.12Å |
| 283 | N | 95 | Very high | 92.8 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | trans | -131.7 | 98.9 | -178.3 | -175.1 | -21.1 | 0 | 0 | 0 | 110.8 | A280 E285 L286 A287 | A280-N283 PolarHBondContact O-N 3.43Å; N283-E285 VanDerWaalsContact C-N 3.31Å; N283-E285 PolarHBondContact O-N 3.31Å; N283-E285 PolarHBondContact OD1-N 2.9Å; N283-L286 HydrophobicContact CB-CB 3.92Å; N283-L286 PolarHBondContact O-N 3.45Å; N283-L286 PolarHBondContact OD1-N 3.3Å; N283-L286 VanDerWaalsContact OD1-N 3.15Å; N283-A287 PolarHBondContact O-N 3.36Å | ||
| 284 | P | 95.4 | Very high | 91.8 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.7 | -34.2 | -177.6 | -25.1 | 34.3 | 0 | 0 | 0 | 114.6 | A288 | P284-A288 WeakPolarHBondContact O-CB 3.49Å; P284-A288 PolarHBondContact O-N 3.11Å |
| 285 | E | 96.6 | Very high | 90.3 | Very high | 134 Ų | 134 | 63.7 Ų | 63.7 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 177.3 | -177.9 | -179.1 | -174.7 | 0 | 0 | 110.5 | N283 A288 F289 V311 | N283-E285 VanDerWaalsContact C-N 3.31Å; N283-E285 PolarHBondContact O-N 3.31Å; N283-E285 PolarHBondContact OD1-N 2.9Å; E285-A288 PolarHBondContact O-N 3.4Å; E285-F289 WeakPolarHBondContact O-CB 3.5Å; E285-F289 PolarHBondContact O-N 2.87Å; E285-V311 HydrophobicContact CG-CG1 4.13Å; E285-V311 HydrophobicContact CG-CG2 4.21Å |
| 286 | L | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 177.4 | -179.1 | 59.1 | 0 | 0 | 0 | 111.9 | A279 A280 N283 A288 F289 I290 V311 T313 A330 | A279-L286 HydrophobicContact CB-CD2 3.42Å; A279-L286 VanDerWaalsContact CB-CD2 3.42Å; A280-L286 HydrophobicContact CB-CD2 4.27Å; A280-L286 HydrophobicContact CB-CG 4.06Å; N283-L286 HydrophobicContact CB-CB 3.92Å; N283-L286 PolarHBondContact O-N 3.45Å; N283-L286 PolarHBondContact OD1-N 3.3Å; N283-L286 VanDerWaalsContact OD1-N 3.15Å; L286-A288 PolarHBondContact O-N 3.09Å; L286-F289 HydrophobicContact CD1-CD1 4.32Å; L286-F289 PolarHBondContact O-N 2.87Å; L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CD1-CG1 4.26Å; L286-I290 HydrophobicContact CG-CD1 4.2Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.11Å; L286-V311 HydrophobicContact CB-CG1 4Å; L286-V311 HydrophobicContact CD1-CB 4.02Å; L286-V311 HydrophobicContact CD1-CG1 4.19Å; L286-T313 HydrophobicContact CD2-CG2 4.3Å; L286-A330 HydrophobicContact CD1-CB 3.55Å |
| 287 | A | 94.7 | Very high | 86.9 | Confident | 35 Ų | 35 | 70 Ų | 70 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A280 N283 F289 I290 D291 | A280-A287 HydrophobicContact CB-CB 4.19Å; N283-A287 PolarHBondContact O-N 3.36Å; A287-F289 VanDerWaalsContact C-N 3.34Å; A287-F289 PolarHBondContact O-N 3.33Å; A287-I290 PolarHBondContact O-N 3.2Å; A287-D291 PolarHBondContact O-N 3.05Å; A287-D291 VanDerWaalsContact O-N 3.11Å |
| 288 | A | 93.5 | Very high | 85.1 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 51% | 0.512 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P284 E285 L286 D291 E292 | P284-A288 WeakPolarHBondContact O-CB 3.49Å; P284-A288 PolarHBondContact O-N 3.11Å; E285-A288 PolarHBondContact O-N 3.4Å; L286-A288 PolarHBondContact O-N 3.09Å; A288-D291 PolarHBondContact O-N 3.15Å; A288-E292 PolarHBondContact O-N 3.47Å |
| 289 | F | 93.6 | Very high | 83.3 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.053 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.4 | 177.1 | -107.6 | 0 | 0 | 0 | 112.7 | E285 L286 A287 D291 E292 C293 K309 V311 A330 N332 | E285-F289 WeakPolarHBondContact O-CB 3.5Å; E285-F289 PolarHBondContact O-N 2.87Å; L286-F289 HydrophobicContact CD1-CD1 4.32Å; L286-F289 PolarHBondContact O-N 2.87Å; A287-F289 VanDerWaalsContact C-N 3.34Å; A287-F289 PolarHBondContact O-N 3.33Å; F289-D291 VanDerWaalsContact C-N 3.33Å; F289-E292 PolarHBondContact O-N 2.93Å; F289-C293 VanDerWaalsContact CE1-SG 3.59Å; F289-C293 VanDerWaalsContact CE2-SG 3.58Å; F289-C293 WeakPolarHBondContact CZ-SG 3.43Å; F289-C293 WeakPolarHBondContact O-CB 3.35Å; F289-C293 PolarHBondContact O-N 3.41Å; F289-C293 PolarHBondContact O-SG 3.36Å; F289-K309 HydrophobicContact CE2-CB 3.86Å; F289-K309 HydrophobicContact CZ-CB 4.47Å; F289-K309 WeakPolarHBondContact CZ-O 3.41Å; F289-V311 HydrophobicContact CB-CG2 3.63Å; F289-V311 HydrophobicContact CD1-CB 4.32Å; F289-V311 HydrophobicContact CD1-CG2 3.98Å; F289-V311 HydrophobicContact CD2-CG2 4.12Å; F289-V311 HydrophobicContact CG-CB 4.44Å; F289-V311 HydrophobicContact CG-CG2 3.63Å; F289-A330 HydrophobicContact CD1-CB 4.24Å; F289-A330 HydrophobicContact CE1-CB 4.05Å; F289-A330 VanDerWaalsContact CE1-O 3.29Å; F289-A330 WeakPolarHBondContact CE1-O 3.49Å; F289-N332 HydrophobicContact CE2-CB 4.49Å; F289-N332 HydrophobicContact CZ-CB 4.08Å |
| 290 | I | 89.9 | Confident | 81.5 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.9 | -70.3 | 175.2 | 0 | 0 | 0 | 110.4 | A271 A276 A280 L286 A287 C293 R294 | A271-I290 HydrophobicContact CB-CG1 4.27Å; A271-I290 WeakPolarHBondContact O-CD1 3.36Å; A271-I290 WeakPolarHBondContact O-CG1 3.46Å; A276-I290 HydrophobicContact CB-CD1 4.11Å; A280-I290 HydrophobicContact CB-CD1 3.71Å; L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CD1-CG1 4.26Å; L286-I290 HydrophobicContact CG-CD1 4.2Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.11Å; A287-I290 PolarHBondContact O-N 3.2Å; I290-C293 PolarHBondContact O-N 3.23Å; I290-R294 WeakPolarHBondContact O-CG 3.45Å; I290-R294 PolarHBondContact O-N 2.88Å |
| 291 | D | 85.6 | Confident | 79.5 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 176.4 | -75.2 | -20 | 0 | 0 | 0 | 112.6 | A287 A288 F289 R294 N295 | A287-D291 PolarHBondContact O-N 3.05Å; A287-D291 VanDerWaalsContact O-N 3.11Å; A288-D291 PolarHBondContact O-N 3.15Å; F289-D291 VanDerWaalsContact C-N 3.33Å; D291-R294 IonicContact OD1-CZ 2.82Å; D291-R294 IonicContact OD1-NH1 3.82Å; D291-N295 PolarHBondContact O-N 3.45Å; D291-N295 PolarHBondContact O-ND2 2.94Å |
| 292 | E | 85.1 | Confident | 78 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 170 | -175.2 | -174.9 | 167.7 | 0 | 0 | 110.5 | A288 F289 R294 N295 T296 K309 | A288-E292 PolarHBondContact O-N 3.47Å; F289-E292 PolarHBondContact O-N 2.93Å; E292-R294 PolarHBondContact O-N 3.07Å; E292-N295 CarbonylContact O-C 3.49Å; E292-N295 WeakPolarHBondContact O-CA 3.15Å; E292-N295 WeakPolarHBondContact O-CB 3.41Å; E292-N295 PolarHBondContact O-N 2.74Å; E292-T296 PolarHBondContact O-N 3.3Å; E292-T296 PolarHBondContact O-OG1 2.82Å; E292-K309 IonicContact OE1-NZ 2.83Å; E292-K309 PolarHBondContact OE1-NZ 2.86Å |
| 293 | C | 81.5 | Confident | 76.8 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | -179.6 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | A271 F289 I290 N295 T296 | A271-C293 HydrophobicContact CB-CB 3.32Å; F289-C293 VanDerWaalsContact CE1-SG 3.59Å; F289-C293 VanDerWaalsContact CE2-SG 3.58Å; F289-C293 WeakPolarHBondContact CZ-SG 3.43Å; F289-C293 WeakPolarHBondContact O-CB 3.35Å; F289-C293 PolarHBondContact O-N 3.41Å; F289-C293 PolarHBondContact O-SG 3.36Å; I290-C293 PolarHBondContact O-N 3.23Å; C293-N295 PolarHBondContact O-N 2.98Å; C293-T296 WeakPolarHBondContact CA-OG1 3.49Å; C293-T296 PolarHBondContact O-N 3.31Å; C293-T296 PolarHBondContact O-OG1 3.32Å |
| 294 | R | 71.3 | Confident | 75.4 | Confident | 143 Ų | 143 | 60.8 Ų | 60.8 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 173.5 | -73.8 | 177.9 | -165.1 | 172.1 | 3.7 | 112.4 | I290 D291 E292 | I290-R294 WeakPolarHBondContact O-CG 3.45Å; I290-R294 PolarHBondContact O-N 2.88Å; D291-R294 IonicContact OD1-CZ 2.82Å; D291-R294 IonicContact OD1-NH1 3.82Å; E292-R294 PolarHBondContact O-N 3.07Å |
| 295 | N | 61.9 | Low | 74.3 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.1 | 177.5 | -71 | -44.5 | 0 | 0 | 0 | 113.5 | D291 E292 C293 K297 | D291-N295 PolarHBondContact O-N 3.45Å; D291-N295 PolarHBondContact O-ND2 2.94Å; E292-N295 CarbonylContact O-C 3.49Å; E292-N295 WeakPolarHBondContact O-CA 3.15Å; E292-N295 WeakPolarHBondContact O-CB 3.41Å; E292-N295 PolarHBondContact O-N 2.74Å; C293-N295 PolarHBondContact O-N 2.98Å; N295-K297 PolarHBondContact O-N 2.85Å |
| 296 | T | 63.2 | Low | 73.3 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.288 | 32% | 0.32 | S | S | . | . | trans | -82.5 | 108 | -179.4 | -31.2 | 0 | 0 | 0 | 0 | 109.3 | E292 C293 V298 M306 | E292-T296 PolarHBondContact O-N 3.3Å; E292-T296 PolarHBondContact O-OG1 2.82Å; C293-T296 WeakPolarHBondContact CA-OG1 3.49Å; C293-T296 PolarHBondContact O-N 3.31Å; C293-T296 PolarHBondContact O-OG1 3.32Å; T296-V298 HydrophobicContact CG2-CG2 3.65Å; T296-V298 PolarHBondContact O-N 2.83Å; T296-M306 HydrophobicContact CG2-CE 3.81Å | ||
| 297 | K | 56.4 | Low | 72.8 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | trans | -97.4 | 84 | -172.1 | -64.9 | -179 | -175.8 | -165.8 | 0 | 110 | V191 E192 N295 | V191-K297 WeakPolarHBondContact O-CB 3.37Å; E192-K297 HydrophobicContact CB-CD 3.63Å; E192-K297 HydrophobicContact CB-CG 4.07Å; E192-K297 IonicContact OE2-NZ 2.58Å; E192-K297 PolarHBondContact OE2-NZ 2.81Å; N295-K297 PolarHBondContact O-N 2.85Å | ||
| 298 | V | 56.4 | Low | 72.5 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -133.9 | 122.5 | -169.2 | -164 | 0 | 0 | 0 | 0 | 109.1 | T296 E302 M303 M306 | T296-V298 HydrophobicContact CG2-CG2 3.65Å; T296-V298 PolarHBondContact O-N 2.83Å; V298-E302 HydrophobicContact CG1-CB 3.23Å; V298-E302 HydrophobicContact CG1-CG 4.47Å; V298-M303 HydrophobicContact CG1-CB 4.13Å; V298-M303 HydrophobicContact CG1-CG 4.42Å; V298-M303 VanDerWaalsContact CG1-N 3.29Å; V298-M306 HydrophobicContact CG1-SD 4.35Å; V298-M306 HydrophobicContact CG2-CE 4.14Å; V298-M306 HydrophobicContact CG2-SD 4.4Å | ||
| 299 | A | 55.8 | Low | 72.5 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | trans | -65 | 158.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V179 A301 E302 M303 | V179-A299 HydrophobicContact CG1-CB 4.03Å; A299-A301 PolarHBondContact O-N 2.62Å; A299-A301 VanDerWaalsContact O-N 3.08Å; A299-E302 PolarHBondContact N-OE2 2.87Å; A299-E302 CarbonylContact O-C 3.59Å; A299-E302 PolarHBondContact O-N 3.03Å; A299-M303 WeakPolarHBondContact O-CB 3.45Å; A299-M303 PolarHBondContact O-N 2.57Å | ||
| 300 | E | 56.5 | Low | 72.6 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.1 | -37.5 | -180 | -158.5 | 177.6 | -171.1 | 0 | 0 | 112.9 | M303 A304 R424 | E300-M303 WeakPolarHBondContact O-CB 3.49Å; E300-M303 PolarHBondContact O-N 3.06Å; E300-A304 PolarHBondContact O-N 2.97Å; E300-R424 IonicContact OE1-CZ 2.8Å; E300-R424 IonicContact OE1-NE 3.54Å; E300-R424 PolarHBondContact OE1-NE 2.56Å; E300-R424 VanDerWaalsContact OE1-NE 3.11Å; E300-R424 IonicContact OE1-NH2 2.85Å; E300-R424 IonicContact OE2-CZ 2.65Å; E300-R424 IonicContact OE2-NE 3.69Å; E300-R424 PolarHBondContact OE2-NE 3.48Å; E300-R424 VanDerWaalsContact OE2-NE 3.15Å; E300-R424 IonicContact OE2-NH2 2.74Å; E300-R424 PolarHBondContact OE2-NH2 3.19Å |
| 301 | A | 55.2 | Low | 72.9 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A299 M303 A304 | A299-A301 PolarHBondContact O-N 2.62Å; A299-A301 VanDerWaalsContact O-N 3.08Å; A301-M303 PolarHBondContact O-N 2.79Å; A301-A304 WeakPolarHBondContact O-CB 3.4Å; A301-A304 PolarHBondContact O-N 2.89Å |
| 302 | E | 62.5 | Low | 73.5 | Confident | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.5 | -25 | 175.3 | -66.2 | -179.1 | 130.3 | 0 | 0 | 111.5 | G182 V298 A299 A304 T305 M306 | G182-E302 VanDerWaalsContact CA-OE2 3.32Å; G182-E302 WeakPolarHBondContact CA-OE2 3.41Å; V298-E302 HydrophobicContact CG1-CB 3.23Å; V298-E302 HydrophobicContact CG1-CG 4.47Å; A299-E302 PolarHBondContact N-OE2 2.87Å; A299-E302 CarbonylContact O-C 3.59Å; A299-E302 PolarHBondContact O-N 3.03Å; E302-A304 VanDerWaalsContact C-N 3.28Å; E302-A304 PolarHBondContact O-N 3.2Å; E302-T305 CarbonylContact O-C 3.53Å; E302-T305 PolarHBondContact O-N 3.39Å; E302-T305 VanDerWaalsContact O-N 3.15Å; E302-T305 PolarHBondContact O-OG1 2.93Å; E302-T305 VanDerWaalsContact O-OG1 3.07Å; E302-M306 WeakPolarHBondContact O-CB 3.28Å; E302-M306 PolarHBondContact O-N 3.46Å |
| 303 | M | 65.8 | Low | 74.1 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.3 | -30.1 | 178.5 | -141.7 | 175.2 | 61.2 | 0 | 0 | 111.2 | V298 A299 E300 A301 T305 M306 K308 L335 | V298-M303 HydrophobicContact CG1-CB 4.13Å; V298-M303 HydrophobicContact CG1-CG 4.42Å; V298-M303 VanDerWaalsContact CG1-N 3.29Å; A299-M303 WeakPolarHBondContact O-CB 3.45Å; A299-M303 PolarHBondContact O-N 2.57Å; E300-M303 WeakPolarHBondContact O-CB 3.49Å; E300-M303 PolarHBondContact O-N 3.06Å; A301-M303 PolarHBondContact O-N 2.79Å; M303-T305 VanDerWaalsContact C-N 3.31Å; M303-M306 HydrophobicContact CB-SD 4.35Å; M303-M306 HydrophobicContact CG-SD 3.58Å; M303-M306 VanDerWaalsContact CG-SD 3.58Å; M303-M306 WeakPolarHBondContact O-CG 3.16Å; M303-K308 PolarHBondContact O-NZ 2.91Å; M303-L335 HydrophobicContact CE-CD1 3.63Å; M303-L335 HydrophobicContact CE-CD2 3.79Å; M303-L335 HydrophobicContact CE-CG 3.6Å; M303-L335 HydrophobicContact SD-CD1 4.36Å; M303-L335 HydrophobicContact SD-CD2 3.49Å; M303-L335 WeakPolarHBondContact SD-CD2 3.46Å; M303-L335 HydrophobicContact SD-CG 4.03Å |
| 304 | A | 67.1 | Low | 74.7 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E300 A301 E302 K308 | E300-A304 PolarHBondContact O-N 2.97Å; A301-A304 WeakPolarHBondContact O-CB 3.4Å; A301-A304 PolarHBondContact O-N 2.89Å; E302-A304 VanDerWaalsContact C-N 3.28Å; E302-A304 PolarHBondContact O-N 3.2Å; A304-K308 PolarHBondContact O-NZ 3.39Å |
| 305 | T | 71.5 | Confident | 76 | Confident | 120 Ų | 120 | 52.8 Ų | 52.8 | 74% | 0.736 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -96.5 | -14.9 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | E302 M303 | E302-T305 CarbonylContact O-C 3.53Å; E302-T305 PolarHBondContact O-N 3.39Å; E302-T305 VanDerWaalsContact O-N 3.15Å; E302-T305 PolarHBondContact O-OG1 2.93Å; E302-T305 VanDerWaalsContact O-OG1 3.07Å; M303-T305 VanDerWaalsContact C-N 3.31Å |
| 306 | M | 76.7 | Confident | 77.7 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 16% | 0.163 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -62.6 | 151.7 | -179.1 | 78.6 | -176.1 | -61.7 | 0 | 0 | 111.9 | T296 V298 E302 M303 K308 N332 | T296-M306 HydrophobicContact CG2-CE 3.81Å; V298-M306 HydrophobicContact CG1-SD 4.35Å; V298-M306 HydrophobicContact CG2-CE 4.14Å; V298-M306 HydrophobicContact CG2-SD 4.4Å; E302-M306 WeakPolarHBondContact O-CB 3.28Å; E302-M306 PolarHBondContact O-N 3.46Å; M303-M306 HydrophobicContact CB-SD 4.35Å; M303-M306 HydrophobicContact CG-SD 3.58Å; M303-M306 VanDerWaalsContact CG-SD 3.58Å; M303-M306 WeakPolarHBondContact O-CG 3.16Å; M306-K308 PolarHBondContact O-N 2.86Å; M306-K308 PolarHBondContact O-NZ 3.26Å; M306-N332 HydrophobicContact CE-CB 4.4Å; M306-N332 WeakPolarHBondContact CE-ND2 3.44Å |
| 307 | E | 84.5 | Confident | 79.4 | Confident | 125 Ų | 125 | 47.9 Ų | 47.9 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 124.4 | 171.5 | -167.9 | -171.4 | 161.6 | 0 | 0 | 110.2 | K309 N332 K359 | E307-K309 PolarHBondContact O-N 2.84Å; E307-N332 PolarHBondContact O-ND2 3.29Å; E307-K359 WeakPolarHBondContact OE1-CE 3.21Å; E307-K359 IonicContact OE1-NZ 3.22Å; E307-K359 PolarHBondContact OE1-NZ 3.04Å |
| 308 | K | 89 | Confident | 81.4 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 117.8 | 179.1 | -50.1 | -56.3 | -178.2 | -104.6 | 0 | 108.8 | M303 A304 M306 F333 F356 K359 | M303-K308 PolarHBondContact O-NZ 2.91Å; A304-K308 PolarHBondContact O-NZ 3.39Å; M306-K308 PolarHBondContact O-N 2.86Å; M306-K308 PolarHBondContact O-NZ 3.26Å; K308-F333 HydrophobicContact CB-CD1 4.12Å; K308-F333 HydrophobicContact CB-CE1 4.4Å; K308-F333 HydrophobicContact CD-CB 3.9Å; K308-F333 HydrophobicContact CD-CD1 3.85Å; K308-F333 HydrophobicContact CD-CG 4.05Å; K308-F333 HydrophobicContact CG-CD1 4.35Å; K308-F356 HydrophobicContact CB-CD2 4.13Å; K308-K359 WeakPolarHBondContact O-CD 3.29Å; K308-K359 PolarHBondContact O-NZ 3.17Å |
| 309 | K | 92.4 | Very high | 83.4 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | trans | -122.2 | 148 | -179.9 | -61.4 | -175.6 | -173.1 | -179.1 | 0 | 109.6 | F289 E292 E307 N332 Y360 | F289-K309 HydrophobicContact CE2-CB 3.86Å; F289-K309 HydrophobicContact CZ-CB 4.47Å; F289-K309 WeakPolarHBondContact CZ-O 3.41Å; E292-K309 IonicContact OE1-NZ 2.83Å; E292-K309 PolarHBondContact OE1-NZ 2.86Å; E307-K309 PolarHBondContact O-N 2.84Å; K309-N332 PolarHBondContact N-ND2 3.01Å; K309-N332 PolarHBondContact N-OD1 3.31Å; K309-N332 PolarHBondContact O-N 2.91Å; K309-N332 PolarHBondContact O-OD1 3.33Å; K309-Y360 WeakPolarHBondContact CA-OH 3.42Å | ||
| 310 | G | 95.2 | Very high | 85.4 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 169.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A330 Y360 | G310-A330 CarbonylContact C-O 3.27Å; G310-A330 WeakPolarHBondContact CA-O 3.42Å; G310-Y360 PolarHBondContact N-OH 3.05Å; G310-Y360 PolarHBondContact O-OH 2.93Å |
| 311 | V | 97.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.2 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | E285 L286 F289 T313 A330 | E285-V311 HydrophobicContact CG-CG1 4.13Å; E285-V311 HydrophobicContact CG-CG2 4.21Å; L286-V311 HydrophobicContact CB-CG1 4Å; L286-V311 HydrophobicContact CD1-CB 4.02Å; L286-V311 HydrophobicContact CD1-CG1 4.19Å; F289-V311 HydrophobicContact CB-CG2 3.63Å; F289-V311 HydrophobicContact CD1-CB 4.32Å; F289-V311 HydrophobicContact CD1-CG2 3.98Å; F289-V311 HydrophobicContact CD2-CG2 4.12Å; F289-V311 HydrophobicContact CG-CB 4.44Å; F289-V311 HydrophobicContact CG-CG2 3.63Å; V311-T313 PolarHBondContact O-N 3.08Å; V311-A330 PolarHBondContact N-O 2.99Å; V311-A330 PolarHBondContact O-N 2.9Å |
| 312 | D | 97.7 | Very high | 89.3 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 128.2 | 175.6 | -168.9 | -16.3 | 0 | 0 | 0 | 109.4 | G314 K316 W329 | D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact OD1-N 3.32Å; D312-K316 IonicContact OD2-NZ 2.68Å; D312-W329 HydrophobicContact CB-CD2 4.21Å; D312-W329 HydrophobicContact CB-CE3 4.49Å; D312-W329 HydrophobicContact CB-CH2 4.2Å; D312-W329 HydrophobicContact CB-CZ2 3.86Å |
| 313 | T | 97.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -14.1 | 179.2 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | L275 A279 L286 V311 F315 V328 A330 | L275-T313 HydrophobicContact CD2-CG2 4.2Å; A279-T313 WeakPolarHBondContact CB-O 3.47Å; L286-T313 HydrophobicContact CD2-CG2 4.3Å; V311-T313 PolarHBondContact O-N 3.08Å; T313-F315 PolarHBondContact O-N 3.04Å; T313-F315 PolarHBondContact OG1-N 3.46Å; T313-V328 WeakPolarHBondContact CB-O 3.32Å; T313-V328 HydrophobicContact CG2-CG1 4.39Å; T313-V328 WeakPolarHBondContact CG2-O 3.28Å; T313-V328 PolarHBondContact N-O 3.01Å; T313-V328 WeakPolarHBondContact OG1-CB 3.28Å; T313-V328 PolarHBondContact OG1-O 3.47Å; T313-A330 HydrophobicContact CG2-CB 4.18Å |
| 314 | G | 95.9 | Very high | 92.3 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.1 | -25.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D312 | D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact OD1-N 3.32Å |
| 315 | F | 97.5 | Very high | 93.8 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 146.6 | 175.2 | -75.5 | -67.7 | 0 | 0 | 0 | 112 | V244 Y247 L275 K278 A279 T313 V328 | V244-F315 HydrophobicContact CG1-CB 3.8Å; V244-F315 HydrophobicContact CG1-CD1 3.86Å; V244-F315 HydrophobicContact CG1-CG 4.06Å; Y247-F315 HydrophobicContact CD2-CE1 4.3Å; Y247-F315 HydrophobicContact CD2-CZ 4.11Å; Y247-F315 HydrophobicContact CG-CE1 4.45Å; L275-F315 HydrophobicContact CD2-CB 4.38Å; L275-F315 HydrophobicContact CD2-CD2 3.69Å; L275-F315 HydrophobicContact CD2-CE2 4.41Å; L275-F315 HydrophobicContact CD2-CG 4.35Å; L275-F315 HydrophobicContact CG-CD2 3.98Å; L275-F315 HydrophobicContact CG-CE2 4.37Å; K278-F315 HydrophobicContact CG-CZ 4.4Å; A279-F315 HydrophobicContact CB-CD2 4.01Å; A279-F315 HydrophobicContact CB-CE2 3.84Å; T313-F315 PolarHBondContact O-N 3.04Å; T313-F315 PolarHBondContact OG1-N 3.46Å; F315-V328 HydrophobicContact CB-CB 4.41Å; F315-V328 HydrophobicContact CB-CG2 4.47Å; F315-V328 PolarHBondContact O-N 3.25Å; F315-V328 VanDerWaalsContact O-N 3.07Å |
| 316 | K | 98.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.2 | 175.9 | -53.5 | -57.5 | 171.2 | -162.1 | 0 | 109.5 | N245 D312 E325 I326 P327 | N245-K316 PolarHBondContact N-O 3.33Å; D312-K316 IonicContact OD2-NZ 2.68Å; K316-E325 HydrophobicContact CB-CB 4.17Å; K316-E325 HydrophobicContact CB-CG 4.34Å; K316-I326 WeakPolarHBondContact CA-O 3.11Å; K316-P327 HydrophobicContact CD-CB 4.38Å |
| 317 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 149.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F242 N243 V244 L267 E325 I326 V328 | F242-A317 HydrophobicContact CB-CB 4.2Å; F242-A317 HydrophobicContact CD1-CB 4.32Å; N243-A317 CarbonylContact O-C 3.48Å; N243-A317 WeakPolarHBondContact O-CA 3.39Å; V244-A317 HydrophobicContact CG2-CB 4.26Å; L267-A317 HydrophobicContact CD1-CB 3.39Å; L267-A317 HydrophobicContact CG-CB 4.25Å; A317-E325 WeakPolarHBondContact O-CA 3.21Å; A317-I326 HydrophobicContact CB-CG1 4.02Å; A317-I326 PolarHBondContact N-O 3.21Å; A317-I326 WeakPolarHBondContact O-CG1 3.22Å; A317-I326 PolarHBondContact O-N 2.97Å; A317-V328 HydrophobicContact CB-CG2 3.91Å |
| 318 | V | 98.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.6 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | F242 N243 N245 P320 | F242-V318 WeakPolarHBondContact CD1-O 3.38Å; N243-V318 PolarHBondContact O-N 3.45Å; N245-V318 WeakPolarHBondContact OD1-CG2 3.35Å; V318-P320 WeakPolarHBondContact O-CD 3.35Å |
| 319 | H | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 119 | 176.9 | -174.4 | -56.8 | 0 | 0 | 0 | 110 | F261 L321 T322 G323 E324 | F261-H319 AromaticContact CD1-CE1 3.74Å; F261-H319 AromaticContact CE1-CE1 3.42Å; F261-H319 VanDerWaalsContact CE1-CE1 3.42Å; F261-H319 WeakPolarHBondContact CE1-CE1 3.34Å; F261-H319 AromaticContact CE1-NE2 3.96Å; F261-H319 AromaticContact CZ-CE1 3.86Å; F261-H319 PolarHBondContact O-NE2 3.25Å; F261-H319 VanDerWaalsContact O-NE2 3.16Å; H319-L321 VanDerWaalsContact C-N 3.32Å; H319-L321 PolarHBondContact ND1-N 3.2Å; H319-L321 PolarHBondContact O-N 3.15Å; H319-L321 VanDerWaalsContact O-N 3.15Å; H319-T322 WeakPolarHBondContact CB-OG1 3.33Å; H319-T322 PolarHBondContact ND1-N 2.91Å; H319-T322 PolarHBondContact O-N 3.46Å; H319-G323 VanDerWaalsContact O-CA 3.31Å; H319-G323 WeakPolarHBondContact O-CA 3.29Å; H319-G323 PolarHBondContact O-N 3.04Å; H319-E324 PolarHBondContact N-O 2.96Å |
| 320 | P | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.1 | -169.6 | -25.8 | 32.3 | 0 | 0 | 0 | 115.4 | I240 F242 F261 V318 L411 M414 V416 | I240-P320 HydrophobicContact CG2-CG 4.45Å; F242-P320 HydrophobicContact CD1-CG 4.36Å; F242-P320 HydrophobicContact CE1-CG 4.49Å; F261-P320 HydrophobicContact CZ-CG 4.19Å; V318-P320 WeakPolarHBondContact O-CD 3.35Å; P320-L411 HydrophobicContact CB-CD2 4.34Å; P320-M414 HydrophobicContact CB-CE 4.46Å; P320-M414 WeakPolarHBondContact O-CE 3.37Å; P320-V416 HydrophobicContact CB-CG2 3.97Å; P320-V416 HydrophobicContact CG-CG2 4.45Å |
| 321 | L | 97.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -36.5 | -178.1 | -56.8 | -178.7 | 0 | 0 | 0 | 114.9 | F261 M262 H319 F395 K410 L411 M414 | F261-L321 HydrophobicContact CD1-CD1 3.59Å; F261-L321 HydrophobicContact CD1-CG 4.12Å; F261-L321 HydrophobicContact CE1-CD1 3.91Å; F261-L321 HydrophobicContact CE1-CG 3.91Å; M262-L321 HydrophobicContact CE-CB 4.37Å; M262-L321 HydrophobicContact SD-CB 3.8Å; M262-L321 HydrophobicContact SD-CD1 3.71Å; M262-L321 HydrophobicContact SD-CG 4.38Å; H319-L321 VanDerWaalsContact C-N 3.32Å; H319-L321 PolarHBondContact ND1-N 3.2Å; H319-L321 PolarHBondContact O-N 3.15Å; H319-L321 VanDerWaalsContact O-N 3.15Å; L321-F395 HydrophobicContact CD1-CE2 3.8Å; L321-F395 HydrophobicContact CD1-CZ 4.25Å; L321-K410 HydrophobicContact CD2-CG 3.91Å; L321-L411 HydrophobicContact CD1-CD2 4.38Å; L321-L411 HydrophobicContact CD2-CD2 4.07Å; L321-L411 HydrophobicContact CG-CD2 4.15Å; L321-M414 HydrophobicContact CD2-CE 4.17Å; L321-M414 HydrophobicContact CD2-SD 3.58Å; L321-M414 VanDerWaalsContact CD2-SD 3.58Å |
| 322 | T | 96.9 | Very high | 97 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 28% | 0.282 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -23.8 | 179.7 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | M262 H319 E324 | M262-T322 HydrophobicContact CE-CG2 3.42Å; M262-T322 VanDerWaalsContact CE-CG2 3.42Å; M262-T322 HydrophobicContact SD-CG2 4.49Å; H319-T322 WeakPolarHBondContact CB-OG1 3.33Å; H319-T322 PolarHBondContact ND1-N 2.91Å; H319-T322 PolarHBondContact O-N 3.46Å; T322-E324 PolarHBondContact O-N 2.68Å; T322-E324 WeakPolarHBondContact OG1-CB 3.39Å; T322-E324 PolarHBondContact OG1-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 2.89Å |
| 323 | G | 96 | Very high | 96.5 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 54% | 0.536 | 20% | 0.196 | S | C | . | . | trans | 73.5 | 2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H319 | H319-G323 VanDerWaalsContact O-CA 3.31Å; H319-G323 WeakPolarHBondContact O-CA 3.29Å; H319-G323 PolarHBondContact O-N 3.04Å | ||
| 324 | E | 96.3 | Very high | 96.1 | Very high | 115 Ų | 115 | 33.8 Ų | 33.8 | 54% | 0.537 | 20% | 0.197 | S | C | . | . | trans | -74.1 | 149.4 | -177.9 | -65.4 | 170.1 | 166 | 0 | 0 | 111.6 | H319 T322 | H319-E324 PolarHBondContact N-O 2.96Å; T322-E324 PolarHBondContact O-N 2.68Å; T322-E324 WeakPolarHBondContact OG1-CB 3.39Å; T322-E324 PolarHBondContact OG1-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 2.89Å | ||
| 325 | E | 98.1 | Very high | 95.3 | Very high | 126 Ų | 126 | 32.7 Ų | 32.7 | 59% | 0.589 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.6 | 170.3 | -70.1 | -172.9 | 177.2 | 0 | 0 | 110.5 | N245 K316 A317 | N245-E325 PolarHBondContact ND2-OE1 2.93Å; K316-E325 HydrophobicContact CB-CB 4.17Å; K316-E325 HydrophobicContact CB-CG 4.34Å; A317-E325 WeakPolarHBondContact O-CA 3.21Å |
| 326 | I | 98.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.5 | 174 | 58.7 | 175.6 | 0 | 0 | 0 | 110.2 | F242 L267 K316 A317 | F242-I326 HydrophobicContact CD1-CD1 4.25Å; F242-I326 HydrophobicContact CE1-CD1 3.75Å; L267-I326 HydrophobicContact CD1-CD1 4.31Å; L267-I326 HydrophobicContact CD2-CD1 3.76Å; L267-I326 HydrophobicContact CG-CD1 3.71Å; L267-I326 HydrophobicContact CG-CG1 4.3Å; K316-I326 WeakPolarHBondContact CA-O 3.11Å; A317-I326 HydrophobicContact CB-CG1 4.02Å; A317-I326 PolarHBondContact N-O 3.21Å; A317-I326 WeakPolarHBondContact O-CG1 3.22Å; A317-I326 PolarHBondContact O-N 2.97Å |
| 327 | P | 98.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.5 | -178.8 | 27.8 | -34.4 | 0 | 0 | 0 | 111.9 | T265 Y266 L267 K316 | T265-P327 WeakPolarHBondContact O-CD 3.5Å; Y266-P327 WeakPolarHBondContact CA-O 3.43Å; Y266-P327 WeakPolarHBondContact CB-O 3.29Å; L267-P327 PolarHBondContact N-O 3.49Å; K316-P327 HydrophobicContact CD-CB 4.38Å |
| 328 | V | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.2 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L251 L267 V269 L275 T313 F315 A317 | L251-V328 HydrophobicContact CD2-CG1 4.35Å; L267-V328 HydrophobicContact CB-CG2 4.3Å; L267-V328 HydrophobicContact CD1-CG2 4.47Å; L267-V328 CarbonylContact O-C 3.45Å; L267-V328 WeakPolarHBondContact O-CA 3.34Å; V269-V328 HydrophobicContact CG1-CG1 3.95Å; V269-V328 HydrophobicContact CG2-CG1 4.24Å; L275-V328 HydrophobicContact CD2-CG1 3.85Å; T313-V328 WeakPolarHBondContact CB-O 3.32Å; T313-V328 HydrophobicContact CG2-CG1 4.39Å; T313-V328 WeakPolarHBondContact CG2-O 3.28Å; T313-V328 PolarHBondContact N-O 3.01Å; T313-V328 WeakPolarHBondContact OG1-CB 3.28Å; T313-V328 PolarHBondContact OG1-O 3.47Å; F315-V328 HydrophobicContact CB-CB 4.41Å; F315-V328 HydrophobicContact CB-CG2 4.47Å; F315-V328 PolarHBondContact O-N 3.25Å; F315-V328 VanDerWaalsContact O-N 3.07Å; A317-V328 HydrophobicContact CB-CG2 3.91Å |
| 329 | W | 98.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.8 | 179 | -76.8 | 70 | 0 | 0 | 0 | 110.9 | L267 A268 V269 D312 F356 Y360 L362 | L267-W329 PolarHBondContact O-N 2.73Å; A268-W329 CarbonylContact C-O 3.55Å; A268-W329 VanDerWaalsContact CA-O 3.3Å; A268-W329 WeakPolarHBondContact CA-O 3.45Å; V269-W329 PolarHBondContact N-O 2.95Å; D312-W329 HydrophobicContact CB-CD2 4.21Å; D312-W329 HydrophobicContact CB-CE3 4.49Å; D312-W329 HydrophobicContact CB-CH2 4.2Å; D312-W329 HydrophobicContact CB-CZ2 3.86Å; W329-F356 HydrophobicContact CB-CE1 4.22Å; W329-F356 HydrophobicContact CB-CZ 4.18Å; W329-F356 AromaticContact CD2-CE1 3.96Å; W329-F356 HydrophobicContact CD2-CE1 3.96Å; W329-F356 HydrophobicContact CD2-CZ 4.07Å; W329-F356 AromaticContact CE3-CE1 3.93Å; W329-F356 HydrophobicContact CE3-CE1 3.93Å; W329-F356 AromaticContact CE3-CZ 3.63Å; W329-F356 HydrophobicContact CE3-CZ 3.63Å; W329-F356 HydrophobicContact CG-CE1 4.09Å; W329-F356 HydrophobicContact CG-CZ 4.32Å; W329-F356 HydrophobicContact CZ3-CZ 4.36Å; W329-Y360 AromaticContact CH2-CD1 3.69Å; W329-Y360 HydrophobicContact CH2-CD1 3.69Å; W329-Y360 HydrophobicContact CH2-CE1 4.41Å; W329-Y360 AromaticContact CH2-CG 3.91Å; W329-Y360 HydrophobicContact CH2-CG 3.91Å; W329-Y360 AromaticContact CZ3-CD1 3.63Å; W329-Y360 HydrophobicContact CZ3-CD1 3.63Å; W329-Y360 HydrophobicContact CZ3-CD2 4.35Å; W329-Y360 AromaticContact CZ3-CE1 3.95Å; W329-Y360 HydrophobicContact CZ3-CE1 3.95Å; W329-Y360 AromaticContact CZ3-CG 3.85Å; W329-Y360 HydrophobicContact CZ3-CG 3.85Å; W329-L362 HydrophobicContact CD2-CD1 4.47Å; W329-L362 HydrophobicContact CZ2-CD1 4.47Å; W329-L362 HydrophobicContact CZ2-CD2 3.78Å; W329-L362 HydrophobicContact CZ2-CG 4.49Å |
| 330 | A | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.9 | 163 | 0 | 0 | 0 | 0 | 0 | 108.2 | V269 A276 L286 F289 G310 V311 T313 | V269-A330 WeakPolarHBondContact O-CA 3.39Å; A276-A330 HydrophobicContact CB-CB 4.24Å; L286-A330 HydrophobicContact CD1-CB 3.55Å; F289-A330 HydrophobicContact CD1-CB 4.24Å; F289-A330 HydrophobicContact CE1-CB 4.05Å; F289-A330 VanDerWaalsContact CE1-O 3.29Å; F289-A330 WeakPolarHBondContact CE1-O 3.49Å; G310-A330 CarbonylContact C-O 3.27Å; G310-A330 WeakPolarHBondContact CA-O 3.42Å; V311-A330 PolarHBondContact N-O 2.99Å; V311-A330 PolarHBondContact O-N 2.9Å; T313-A330 HydrophobicContact CG2-CB 4.18Å |
| 331 | A | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A268 V269 F333 V334 F356 | A268-A331 HydrophobicContact CB-CB 4.09Å; V269-A331 PolarHBondContact O-N 3.44Å; A331-F333 VanDerWaalsContact C-N 3.34Å; A331-F333 HydrophobicContact CB-CD1 3.93Å; A331-F333 HydrophobicContact CB-CE1 3.56Å; A331-F333 HydrophobicContact CB-CZ 4.08Å; A331-F333 PolarHBondContact O-N 2.78Å; A331-V334 HydrophobicContact CB-CG2 4.13Å; A331-F356 HydrophobicContact CB-CE2 4.07Å; A331-F356 HydrophobicContact CB-CZ 4.32Å |
| 332 | N | 89.1 | Confident | 90.1 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.7 | -173.7 | 66.8 | -11.9 | 0 | 0 | 0 | 114.6 | F289 M306 E307 K309 | F289-N332 HydrophobicContact CE2-CB 4.49Å; F289-N332 HydrophobicContact CZ-CB 4.08Å; M306-N332 HydrophobicContact CE-CB 4.4Å; M306-N332 WeakPolarHBondContact CE-ND2 3.44Å; E307-N332 PolarHBondContact O-ND2 3.29Å; K309-N332 PolarHBondContact N-ND2 3.01Å; K309-N332 PolarHBondContact N-OD1 3.31Å; K309-N332 PolarHBondContact O-N 2.91Å; K309-N332 PolarHBondContact O-OD1 3.33Å |
| 333 | F | 86.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.2 | -179.7 | 64.6 | -91 | 0 | 0 | 0 | 113.4 | A268 K308 A331 F356 | A268-F333 HydrophobicContact CB-CZ 4.5Å; K308-F333 HydrophobicContact CB-CD1 4.12Å; K308-F333 HydrophobicContact CB-CE1 4.4Å; K308-F333 HydrophobicContact CD-CB 3.9Å; K308-F333 HydrophobicContact CD-CD1 3.85Å; K308-F333 HydrophobicContact CD-CG 4.05Å; K308-F333 HydrophobicContact CG-CD1 4.35Å; A331-F333 VanDerWaalsContact C-N 3.34Å; A331-F333 HydrophobicContact CB-CD1 3.93Å; A331-F333 HydrophobicContact CB-CE1 3.56Å; A331-F333 HydrophobicContact CB-CZ 4.08Å; A331-F333 PolarHBondContact O-N 2.78Å; F333-F356 HydrophobicContact CD1-CD2 4.48Å; F333-F356 HydrophobicContact CE1-CB 4.3Å; F333-F356 AromaticContact CE1-CD2 3.6Å; F333-F356 HydrophobicContact CE1-CD2 3.6Å; F333-F356 HydrophobicContact CE1-CE2 4.07Å; F333-F356 HydrophobicContact CE1-CG 4.08Å; F333-F356 HydrophobicContact CZ-CD2 4.43Å |
| 334 | V | 88.5 | Confident | 90.2 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | trans | -89.8 | 117.3 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | A268 A270 A331 V343 | A268-V334 HydrophobicContact CB-CG2 3.75Å; A270-V334 WeakPolarHBondContact CA-O 3.42Å; A270-V334 HydrophobicContact CB-CB 4.43Å; A270-V334 HydrophobicContact CB-CG1 4.16Å; A270-V334 WeakPolarHBondContact CB-O 3.26Å; A331-V334 HydrophobicContact CB-CG2 4.13Å; V334-V343 HydrophobicContact CG1-CG1 4.45Å; V334-V343 HydrophobicContact CG1-CG2 4.39Å; V334-V343 HydrophobicContact CG2-CG2 3.66Å | ||
| 335 | L | 80.1 | Confident | 90.3 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 15% | 0.152 | 16% | 0.155 | C | C | . | . | trans | -88.7 | 130.3 | -178.7 | -67.8 | 178.4 | 0 | 0 | 0 | 111.1 | M303 E337 Y338 G341 | M303-L335 HydrophobicContact CE-CD1 3.63Å; M303-L335 HydrophobicContact CE-CD2 3.79Å; M303-L335 HydrophobicContact CE-CG 3.6Å; M303-L335 HydrophobicContact SD-CD1 4.36Å; M303-L335 HydrophobicContact SD-CD2 3.49Å; M303-L335 WeakPolarHBondContact SD-CD2 3.46Å; M303-L335 HydrophobicContact SD-CG 4.03Å; L335-E337 PolarHBondContact O-N 3.07Å; L335-Y338 PolarHBondContact O-N 2.85Å; L335-G341 WeakPolarHBondContact O-CA 3.46Å | ||
| 336 | M | 82.1 | Confident | 90.3 | Very high | 73 Ų | 73 | 23.6 Ų | 23.6 | 36% | 0.36 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.3 | 177.8 | -169.9 | 63.8 | -159.2 | 0 | 0 | 112.2 | A270 H273 | A270-M336 HydrophobicContact CB-CB 3.94Å; A270-M336 HydrophobicContact CB-SD 4.1Å; H273-M336 HydrophobicContact CB-SD 4.04Å |
| 337 | E | 73.3 | Confident | 90.3 | Very high | 66 Ų | 66 | 23.3 Ų | 23.3 | 31% | 0.308 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2 | -176.4 | -54.9 | 89.5 | 163.9 | 0 | 0 | 114.7 | R193 L335 | R193-E337 IonicContact CZ-OE1 3.31Å; R193-E337 IonicContact CZ-OE2 2.64Å; R193-E337 VanDerWaalsContact NH1-CD 3.3Å; R193-E337 IonicContact NH1-OE1 3.19Å; R193-E337 PolarHBondContact NH1-OE1 3.38Å; R193-E337 IonicContact NH1-OE2 2.7Å; R193-E337 PolarHBondContact NH1-OE2 3.19Å; R193-E337 IonicContact NH2-OE1 2.79Å; R193-E337 IonicContact NH2-OE2 2.77Å; R193-E337 PolarHBondContact NH2-OE2 3.39Å; L335-E337 PolarHBondContact O-N 3.07Å |
| 338 | Y | 72.2 | Confident | 90.3 | Very high | 85 Ų | 85 | 21.9 Ų | 21.9 | 33% | 0.333 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -106.8 | 124.5 | 176.7 | -173.4 | -104.5 | 0 | 0 | 0 | 110.6 | L335 T340 G341 | L335-Y338 PolarHBondContact O-N 2.85Å; Y338-T340 PolarHBondContact O-N 3.46Å; Y338-G341 PolarHBondContact O-N 3.01Å |
| 339 | G | 78.3 | Confident | 90.3 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 38% | 0.381 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -126.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 340 | T | 86.5 | Confident | 90.2 | Very high | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.221 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 2.6 | -177.7 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | T252 V253 Y338 A342 | T252-T340 HydrophobicContact CG2-CG2 4.03Å; T252-T340 VanDerWaalsContact O-CB 3.24Å; T252-T340 WeakPolarHBondContact O-CB 3.17Å; T252-T340 PolarHBondContact O-OG1 3.33Å; V253-T340 WeakPolarHBondContact CA-OG1 3.36Å; Y338-T340 PolarHBondContact O-N 3.46Å; T340-A342 PolarHBondContact OG1-N 2.7Å; T340-A342 PolarHBondContact OG1-O 3.22Å |
| 341 | G | 89 | Confident | 90.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 75.9 | 11.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A270 L335 Y338 | A270-G341 WeakPolarHBondContact CB-O 3.26Å; A270-G341 PolarHBondContact N-O 2.82Å; L335-G341 WeakPolarHBondContact O-CA 3.46Å; Y338-G341 PolarHBondContact O-N 3.01Å |
| 342 | A | 95.1 | Very high | 90 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L251 V253 A268 V269 T340 | L251-A342 HydrophobicContact CD1-CB 3.7Å; L251-A342 HydrophobicContact CG-CB 4.26Å; V253-A342 WeakPolarHBondContact CA-O 3.26Å; V253-A342 HydrophobicContact CG1-CB 3.91Å; A268-A342 WeakPolarHBondContact O-CA 3.25Å; V269-A342 HydrophobicContact CG1-CB 3.87Å; T340-A342 PolarHBondContact OG1-N 2.7Å; T340-A342 PolarHBondContact OG1-O 3.22Å |
| 343 | V | 95.7 | Very high | 90.4 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 26% | 0.261 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.2 | 178.4 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | A268 V334 | A268-V343 HydrophobicContact CB-CG2 3.94Å; A268-V343 PolarHBondContact N-O 2.81Å; A268-V343 PolarHBondContact O-N 2.86Å; V334-V343 HydrophobicContact CG1-CG1 4.45Å; V334-V343 HydrophobicContact CG1-CG2 4.39Å; V334-V343 HydrophobicContact CG2-CG2 3.66Å |
| 344 | M | 97.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.044 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136 | 164.1 | 63.4 | -174.1 | -138.5 | 0 | 0 | 109 | I240 V253 T255 R257 F261 L267 V346 | I240-M344 HydrophobicContact CD1-SD 3.91Å; V253-M344 HydrophobicContact CG2-CB 4.04Å; V253-M344 HydrophobicContact CG2-CG 4.32Å; T255-M344 HydrophobicContact CG2-CE 3.57Å; T255-M344 HydrophobicContact CG2-SD 3.68Å; T255-M344 WeakPolarHBondContact OG1-CE 3.46Å; R257-M344 WeakPolarHBondContact O-CE 3.26Å; F261-M344 HydrophobicContact CB-CE 4.46Å; F261-M344 HydrophobicContact CD2-CE 3.96Å; F261-M344 HydrophobicContact CD2-SD 3.47Å; F261-M344 WeakPolarHBondContact CD2-SD 2.95Å; F261-M344 HydrophobicContact CE2-SD 3.84Å; L267-M344 HydrophobicContact CD2-CB 3.92Å; M344-V346 HydrophobicContact CE-CG2 3.88Å |
| 345 | A | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | C264 T265 Y266 P347 D353 | C264-A345 WeakPolarHBondContact CA-O 3.44Å; T265-A345 PolarHBondContact N-O 2.68Å; Y266-A345 HydrophobicContact CD1-CB 3.68Å; Y266-A345 HydrophobicContact CD2-CB 3.59Å; Y266-A345 HydrophobicContact CE1-CB 3.35Å; Y266-A345 HydrophobicContact CE2-CB 3.23Å; Y266-A345 HydrophobicContact CG-CB 3.79Å; Y266-A345 WeakPolarHBondContact O-CB 3.38Å; Y266-A345 PolarHBondContact O-N 3.06Å; A345-P347 WeakPolarHBondContact O-CD 3.36Å; A345-D353 WeakPolarHBondContact CA-OD2 3.29Å; A345-D353 HydrophobicContact CB-CB 4.07Å |
| 346 | V | 98.5 | Very high | 92 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | trans | -124.4 | 79.4 | 178.3 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | C264 M344 G348 H349 D350 D353 | C264-V346 HydrophobicContact CB-CG2 4.25Å; M344-V346 HydrophobicContact CE-CG2 3.88Å; V346-G348 PolarHBondContact O-N 2.96Å; V346-H349 HydrophobicContact CG1-CB 4.24Å; V346-H349 PolarHBondContact O-N 3.4Å; V346-D350 PolarHBondContact O-N 3.5Å; V346-D353 PolarHBondContact N-OD2 3.19Å | ||
| 347 | P | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.2 | -170.3 | -31.1 | 40.6 | 0 | 0 | 0 | 115.1 | T265 Y266 A345 H349 D353 Y354 A357 I364 | T265-P347 WeakPolarHBondContact OG1-CD 3.48Å; Y266-P347 HydrophobicContact CD1-CG 4.25Å; Y266-P347 HydrophobicContact CE1-CG 3.58Å; A345-P347 WeakPolarHBondContact O-CD 3.36Å; P347-H349 PolarHBondContact O-N 2.99Å; P347-D353 HydrophobicContact CG-CB 4.33Å; P347-Y354 VanDerWaalsContact O-CB 3.31Å; P347-Y354 WeakPolarHBondContact O-CB 3.36Å; P347-Y354 WeakPolarHBondContact O-CD2 3.17Å; P347-A357 HydrophobicContact CB-CB 3.71Å; P347-A357 HydrophobicContact CG-CB 3.59Å; P347-I364 HydrophobicContact CB-CB 4.24Å; P347-I364 HydrophobicContact CB-CG1 3.84Å; P347-I364 HydrophobicContact CB-CG2 4.08Å |
| 348 | G | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V346 L378 L383 | V346-G348 PolarHBondContact O-N 2.96Å; G348-L378 WeakPolarHBondContact O-CD2 3.45Å; G348-L383 PolarHBondContact O-N 3.39Å |
| 349 | H | 98.2 | Very high | 95 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140 | -1.4 | -164.3 | -54.9 | -57.1 | 0 | 0 | 0 | 116.2 | T260 V346 P347 V367 I368 L383 | T260-H349 HydrophobicContact CG2-CB 3.91Å; V346-H349 HydrophobicContact CG1-CB 4.24Å; V346-H349 PolarHBondContact O-N 3.4Å; P347-H349 PolarHBondContact O-N 2.99Å; H349-V367 VanDerWaalsContact CD2-CG2 3.41Å; H349-V367 WeakPolarHBondContact CD2-CG2 3.3Å; H349-V367 WeakPolarHBondContact NE2-CG2 3.16Å; H349-V367 PolarHBondContact NE2-N 2.81Å; H349-I368 VanDerWaalsContact CE1-CB 3.43Å; H349-I368 WeakPolarHBondContact CE1-CB 3.43Å; H349-I368 PolarHBondContact CE1-N 2.79Å; H349-I368 PolarHBondContact NE2-N 2.69Å; H349-I368 VanDerWaalsContact NE2-N 3.13Å; H349-L383 VanDerWaalsContact CA-O 3.27Å; H349-L383 WeakPolarHBondContact CA-O 3.49Å; H349-L383 PolarHBondContact ND1-O 2.85Å |
| 350 | D | 96.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.214 | 15% | 0.153 | C | C | . | . | trans | -123.4 | 127.9 | 163.8 | -177.5 | -59.9 | 0 | 0 | 0 | 109.1 | V346 R352 D353 Y354 | V346-D350 PolarHBondContact O-N 3.5Å; D350-R352 VanDerWaalsContact C-N 3.35Å; D350-R352 PolarHBondContact O-N 3.47Å; D350-R352 WeakPolarHBondContact OD1-CA 3.4Å; D350-R352 WeakPolarHBondContact OD1-CB 3.26Å; D350-R352 PolarHBondContact OD1-N 2.93Å; D350-R352 IonicContact OD1-NE 3.67Å; D350-R352 PolarHBondContact OD1-NE 2.75Å; D350-R352 IonicContact OD1-NH2 3.89Å; D350-R352 IonicContact OD2-CZ 3.91Å; D350-R352 IonicContact OD2-NE 2.88Å; D350-R352 IonicContact OD2-NH2 3.03Å; D350-R352 PolarHBondContact OD2-NH2 2.85Å; D350-D353 HydrophobicContact CB-CB 4.04Å; D350-D353 WeakPolarHBondContact CB-OD2 3.42Å; D350-D353 PolarHBondContact O-N 3Å; D350-D353 PolarHBondContact OD1-N 3.22Å; D350-Y354 WeakPolarHBondContact O-CB 3.41Å; D350-Y354 PolarHBondContact O-N 3.26Å | ||
| 351 | Q | 95.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 29% | 0.285 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.2 | -32.9 | -173.6 | -176 | 56.2 | 37.1 | 0 | 0 | 113.1 | Y354 E355 | Q351-Y354 WeakPolarHBondContact O-CB 3.33Å; Q351-Y354 PolarHBondContact O-N 2.83Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.31Å; Q351-E355 PolarHBondContact NE2-OE1 3.11Å; Q351-E355 VanDerWaalsContact O-CG 3.31Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.95Å |
| 352 | R | 92.5 | Very high | 96.8 | Very high | 127 Ų | 127 | 34.9 Ų | 34.9 | 48% | 0.479 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.5 | -40.4 | 177.3 | -61.5 | 165.2 | -66 | -179.5 | 0.5 | 110.1 | D350 Y354 E355 F356 | D350-R352 VanDerWaalsContact C-N 3.35Å; D350-R352 PolarHBondContact O-N 3.47Å; D350-R352 WeakPolarHBondContact OD1-CA 3.4Å; D350-R352 WeakPolarHBondContact OD1-CB 3.26Å; D350-R352 PolarHBondContact OD1-N 2.93Å; D350-R352 IonicContact OD1-NE 3.67Å; D350-R352 PolarHBondContact OD1-NE 2.75Å; D350-R352 IonicContact OD1-NH2 3.89Å; D350-R352 IonicContact OD2-CZ 3.91Å; D350-R352 IonicContact OD2-NE 2.88Å; D350-R352 IonicContact OD2-NH2 3.03Å; D350-R352 PolarHBondContact OD2-NH2 2.85Å; R352-Y354 VanDerWaalsContact C-N 3.31Å; R352-E355 PolarHBondContact O-N 2.76Å; R352-F356 WeakPolarHBondContact O-CB 3.47Å; R352-F356 PolarHBondContact O-N 3.44Å; R352-F356 VanDerWaalsContact O-N 3.07Å |
| 353 | D | 96.4 | Very high | 97 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -37 | 176.9 | -62 | -16.9 | 0 | 0 | 0 | 111.4 | Y266 A345 V346 P347 D350 A357 | Y266-D353 WeakPolarHBondContact OH-CA 3.39Å; Y266-D353 PolarHBondContact OH-O 2.92Å; A345-D353 WeakPolarHBondContact CA-OD2 3.29Å; A345-D353 HydrophobicContact CB-CB 4.07Å; V346-D353 PolarHBondContact N-OD2 3.19Å; P347-D353 HydrophobicContact CG-CB 4.33Å; D350-D353 HydrophobicContact CB-CB 4.04Å; D350-D353 WeakPolarHBondContact CB-OD2 3.42Å; D350-D353 PolarHBondContact O-N 3Å; D350-D353 PolarHBondContact OD1-N 3.22Å; D353-A357 VanDerWaalsContact O-CB 3.25Å; D353-A357 WeakPolarHBondContact O-CB 3.3Å; D353-A357 PolarHBondContact O-N 3.48Å |
| 354 | Y | 97.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -55.5 | 172.9 | -178.9 | -92.4 | 0 | 0 | 0 | 111.6 | P347 D350 Q351 R352 F356 A357 S358 I364 L378 S379 Q380 A382 | P347-Y354 VanDerWaalsContact O-CB 3.31Å; P347-Y354 WeakPolarHBondContact O-CB 3.36Å; P347-Y354 WeakPolarHBondContact O-CD2 3.17Å; D350-Y354 WeakPolarHBondContact O-CB 3.41Å; D350-Y354 PolarHBondContact O-N 3.26Å; Q351-Y354 WeakPolarHBondContact O-CB 3.33Å; Q351-Y354 PolarHBondContact O-N 2.83Å; R352-Y354 VanDerWaalsContact C-N 3.31Å; Y354-F356 PolarHBondContact O-N 2.83Å; Y354-A357 PolarHBondContact O-N 3.08Å; Y354-A357 VanDerWaalsContact O-N 3.11Å; Y354-S358 WeakPolarHBondContact CE1-OG 3.15Å; Y354-S358 WeakPolarHBondContact O-CB 3.47Å; Y354-S358 PolarHBondContact O-N 2.95Å; Y354-S358 PolarHBondContact O-OG 3.39Å; Y354-S358 VanDerWaalsContact O-OG 3.09Å; Y354-I364 HydrophobicContact CD2-CD1 3.99Å; Y354-I364 HydrophobicContact CD2-CG2 4.47Å; Y354-I364 HydrophobicContact CE2-CD1 3.81Å; Y354-L378 WeakPolarHBondContact CE2-O 3.22Å; Y354-L378 PolarHBondContact OH-O 3.12Å; Y354-L378 VanDerWaalsContact OH-O 3.09Å; Y354-S379 VanDerWaalsContact OH-C 3.26Å; Y354-S379 PolarHBondContact OH-O 3.19Å; Y354-Q380 WeakPolarHBondContact CE1-O 3.32Å; Y354-Q380 PolarHBondContact OH-N 2.85Å; Y354-Q380 PolarHBondContact OH-O 3.23Å; Y354-A382 HydrophobicContact CG-CB 4.41Å |
| 355 | E | 95.4 | Very high | 97.1 | Very high | 86 Ų | 86 | 41.7 Ų | 41.7 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.9 | -41.5 | -179.7 | -74.2 | 164.8 | -164.5 | 0 | 0 | 111.7 | Q351 R352 K359 | Q351-E355 WeakPolarHBondContact CG-OE1 3.31Å; Q351-E355 PolarHBondContact NE2-OE1 3.11Å; Q351-E355 VanDerWaalsContact O-CG 3.31Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.95Å; R352-E355 PolarHBondContact O-N 2.76Å; E355-K359 VanDerWaalsContact O-CB 3.3Å; E355-K359 WeakPolarHBondContact O-CB 3.21Å; E355-K359 PolarHBondContact O-N 2.85Å; E355-K359 VanDerWaalsContact O-N 3.1Å |
| 356 | F | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | 175.8 | -170.9 | -88.9 | 0 | 0 | 0 | 111.9 | Y266 K308 W329 A331 F333 R352 Y354 K359 Y360 L362 | Y266-F356 AromaticContact CE2-CD1 3.67Å; Y266-F356 HydrophobicContact CE2-CD1 3.67Å; Y266-F356 AromaticContact CE2-CE1 3.85Å; Y266-F356 HydrophobicContact CE2-CE1 3.85Å; Y266-F356 AromaticContact CZ-CD1 3.59Å; Y266-F356 VanDerWaalsContact OH-CD1 3.28Å; Y266-F356 WeakPolarHBondContact OH-CD1 3.3Å; K308-F356 HydrophobicContact CB-CD2 4.13Å; W329-F356 HydrophobicContact CB-CE1 4.22Å; W329-F356 HydrophobicContact CB-CZ 4.18Å; W329-F356 AromaticContact CD2-CE1 3.96Å; W329-F356 HydrophobicContact CD2-CE1 3.96Å; W329-F356 HydrophobicContact CD2-CZ 4.07Å; W329-F356 AromaticContact CE3-CE1 3.93Å; W329-F356 HydrophobicContact CE3-CE1 3.93Å; W329-F356 AromaticContact CE3-CZ 3.63Å; W329-F356 HydrophobicContact CE3-CZ 3.63Å; W329-F356 HydrophobicContact CG-CE1 4.09Å; W329-F356 HydrophobicContact CG-CZ 4.32Å; W329-F356 HydrophobicContact CZ3-CZ 4.36Å; A331-F356 HydrophobicContact CB-CE2 4.07Å; A331-F356 HydrophobicContact CB-CZ 4.32Å; F333-F356 HydrophobicContact CD1-CD2 4.48Å; F333-F356 HydrophobicContact CE1-CB 4.3Å; F333-F356 AromaticContact CE1-CD2 3.6Å; F333-F356 HydrophobicContact CE1-CD2 3.6Å; F333-F356 HydrophobicContact CE1-CE2 4.07Å; F333-F356 HydrophobicContact CE1-CG 4.08Å; F333-F356 HydrophobicContact CZ-CD2 4.43Å; R352-F356 WeakPolarHBondContact O-CB 3.47Å; R352-F356 PolarHBondContact O-N 3.44Å; R352-F356 VanDerWaalsContact O-N 3.07Å; Y354-F356 PolarHBondContact O-N 2.83Å; F356-K359 PolarHBondContact O-N 3.05Å; F356-Y360 AromaticContact CD1-CD2 3.99Å; F356-Y360 HydrophobicContact CD1-CD2 3.99Å; F356-Y360 AromaticContact CD2-CD2 3.92Å; F356-Y360 HydrophobicContact CD2-CD2 3.92Å; F356-Y360 AromaticContact CD2-CE2 3.78Å; F356-Y360 HydrophobicContact CD2-CE2 3.78Å; F356-Y360 AromaticContact CE1-CD2 3.84Å; F356-Y360 HydrophobicContact CE1-CD2 3.84Å; F356-Y360 HydrophobicContact CE1-CE2 4.37Å; F356-Y360 AromaticContact CE2-CD2 3.8Å; F356-Y360 HydrophobicContact CE2-CD2 3.8Å; F356-Y360 AromaticContact CE2-CE2 3.5Å; F356-Y360 HydrophobicContact CE2-CE2 3.5Å; F356-Y360 VanDerWaalsContact CE2-CE2 3.5Å; F356-Y360 HydrophobicContact CG-CD2 4.05Å; F356-Y360 HydrophobicContact CG-CE2 4.38Å; F356-Y360 AromaticContact CZ-CD2 3.75Å; F356-Y360 HydrophobicContact CZ-CD2 3.75Å; F356-Y360 AromaticContact CZ-CE2 3.82Å; F356-Y360 HydrophobicContact CZ-CE2 3.82Å; F356-Y360 WeakPolarHBondContact O-CD2 3.41Å; F356-Y360 PolarHBondContact O-N 3.24Å; F356-L362 HydrophobicContact CD1-CD1 3.83Å; F356-L362 HydrophobicContact CE1-CD1 3.73Å |
| 357 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y266 P347 D353 Y354 K359 Y360 G361 L362 I364 | Y266-A357 HydrophobicContact CE1-CB 4.13Å; P347-A357 HydrophobicContact CB-CB 3.71Å; P347-A357 HydrophobicContact CG-CB 3.59Å; D353-A357 VanDerWaalsContact O-CB 3.25Å; D353-A357 WeakPolarHBondContact O-CB 3.3Å; D353-A357 PolarHBondContact O-N 3.48Å; Y354-A357 PolarHBondContact O-N 3.08Å; Y354-A357 VanDerWaalsContact O-N 3.11Å; A357-K359 VanDerWaalsContact C-N 3.29Å; A357-K359 PolarHBondContact O-N 3.45Å; A357-Y360 PolarHBondContact O-N 2.88Å; A357-G361 WeakPolarHBondContact O-CA 3.5Å; A357-G361 PolarHBondContact O-N 3.47Å; A357-L362 HydrophobicContact CB-CB 3.95Å; A357-L362 PolarHBondContact O-N 2.63Å; A357-I364 HydrophobicContact CB-CD1 4.26Å; A357-I364 HydrophobicContact CB-CG1 3.93Å |
| 358 | S | 96.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 42% | 0.42 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | Y354 | Y354-S358 WeakPolarHBondContact CE1-OG 3.15Å; Y354-S358 WeakPolarHBondContact O-CB 3.47Å; Y354-S358 PolarHBondContact O-N 2.95Å; Y354-S358 PolarHBondContact O-OG 3.39Å; Y354-S358 VanDerWaalsContact O-OG 3.09Å |
| 359 | K | 96.2 | Very high | 97.1 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 39% | 0.391 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 179.1 | -176.3 | -179.6 | -177.1 | -175.6 | 0 | 112.9 | E307 K308 E355 F356 A357 | E307-K359 WeakPolarHBondContact OE1-CE 3.21Å; E307-K359 IonicContact OE1-NZ 3.22Å; E307-K359 PolarHBondContact OE1-NZ 3.04Å; K308-K359 WeakPolarHBondContact O-CD 3.29Å; K308-K359 PolarHBondContact O-NZ 3.17Å; E355-K359 VanDerWaalsContact O-CB 3.3Å; E355-K359 WeakPolarHBondContact O-CB 3.21Å; E355-K359 PolarHBondContact O-N 2.85Å; E355-K359 VanDerWaalsContact O-N 3.1Å; F356-K359 PolarHBondContact O-N 3.05Å; A357-K359 VanDerWaalsContact C-N 3.29Å; A357-K359 PolarHBondContact O-N 3.45Å |
| 360 | Y | 97.3 | Very high | 97 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 29% | 0.286 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -100.2 | 3.6 | -174.5 | -69.6 | -74.3 | 0 | 0 | 0 | 114.1 | K309 G310 W329 F356 A357 L362 | K309-Y360 WeakPolarHBondContact CA-OH 3.42Å; G310-Y360 PolarHBondContact N-OH 3.05Å; G310-Y360 PolarHBondContact O-OH 2.93Å; W329-Y360 AromaticContact CH2-CD1 3.69Å; W329-Y360 HydrophobicContact CH2-CD1 3.69Å; W329-Y360 HydrophobicContact CH2-CE1 4.41Å; W329-Y360 AromaticContact CH2-CG 3.91Å; W329-Y360 HydrophobicContact CH2-CG 3.91Å; W329-Y360 AromaticContact CZ3-CD1 3.63Å; W329-Y360 HydrophobicContact CZ3-CD1 3.63Å; W329-Y360 HydrophobicContact CZ3-CD2 4.35Å; W329-Y360 AromaticContact CZ3-CE1 3.95Å; W329-Y360 HydrophobicContact CZ3-CE1 3.95Å; W329-Y360 AromaticContact CZ3-CG 3.85Å; W329-Y360 HydrophobicContact CZ3-CG 3.85Å; F356-Y360 AromaticContact CD1-CD2 3.99Å; F356-Y360 HydrophobicContact CD1-CD2 3.99Å; F356-Y360 AromaticContact CD2-CD2 3.92Å; F356-Y360 HydrophobicContact CD2-CD2 3.92Å; F356-Y360 AromaticContact CD2-CE2 3.78Å; F356-Y360 HydrophobicContact CD2-CE2 3.78Å; F356-Y360 AromaticContact CE1-CD2 3.84Å; F356-Y360 HydrophobicContact CE1-CD2 3.84Å; F356-Y360 HydrophobicContact CE1-CE2 4.37Å; F356-Y360 AromaticContact CE2-CD2 3.8Å; F356-Y360 HydrophobicContact CE2-CD2 3.8Å; F356-Y360 AromaticContact CE2-CE2 3.5Å; F356-Y360 HydrophobicContact CE2-CE2 3.5Å; F356-Y360 VanDerWaalsContact CE2-CE2 3.5Å; F356-Y360 HydrophobicContact CG-CD2 4.05Å; F356-Y360 HydrophobicContact CG-CE2 4.38Å; F356-Y360 AromaticContact CZ-CD2 3.75Å; F356-Y360 HydrophobicContact CZ-CD2 3.75Å; F356-Y360 AromaticContact CZ-CE2 3.82Å; F356-Y360 HydrophobicContact CZ-CE2 3.82Å; F356-Y360 WeakPolarHBondContact O-CD2 3.41Å; F356-Y360 PolarHBondContact O-N 3.24Å; A357-Y360 PolarHBondContact O-N 2.88Å; Y360-L362 VanDerWaalsContact C-N 3.3Å; Y360-L362 PolarHBondContact O-N 3.36Å |
| 361 | G | 96.8 | Very high | 96.7 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 31.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A357 | A357-G361 WeakPolarHBondContact O-CA 3.5Å; A357-G361 PolarHBondContact O-N 3.47Å |
| 362 | L | 97.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | trans | -79.5 | 157.8 | 176.2 | -56.8 | 175.4 | 0 | 0 | 0 | 110.8 | Y266 W329 F356 A357 Y360 | Y266-L362 HydrophobicContact CD1-CB 4.27Å; Y266-L362 HydrophobicContact CD1-CD1 3.73Å; Y266-L362 HydrophobicContact CD2-CD1 4.05Å; Y266-L362 HydrophobicContact CE1-CB 4.43Å; Y266-L362 HydrophobicContact CE1-CD1 3.78Å; Y266-L362 HydrophobicContact CE2-CD1 4.12Å; Y266-L362 HydrophobicContact CG-CD1 3.87Å; W329-L362 HydrophobicContact CD2-CD1 4.47Å; W329-L362 HydrophobicContact CZ2-CD1 4.47Å; W329-L362 HydrophobicContact CZ2-CD2 3.78Å; W329-L362 HydrophobicContact CZ2-CG 4.49Å; F356-L362 HydrophobicContact CD1-CD1 3.83Å; F356-L362 HydrophobicContact CE1-CD1 3.73Å; A357-L362 HydrophobicContact CB-CB 3.95Å; A357-L362 PolarHBondContact O-N 2.63Å; Y360-L362 VanDerWaalsContact C-N 3.3Å; Y360-L362 PolarHBondContact O-N 3.36Å | ||
| 363 | N | 97.5 | Very high | 96.8 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | trans | -65.2 | 135.8 | -177 | -172.6 | 32.2 | 0 | 0 | 0 | 111.5 | T265 | T265-N363 VanDerWaalsContact CB-O 3.29Å; T265-N363 WeakPolarHBondContact CB-O 3.18Å; T265-N363 HydrophobicContact CG2-CB 3.98Å; T265-N363 WeakPolarHBondContact CG2-O 3.43Å; T265-N363 PolarHBondContact OG1-O 3.07Å | ||
| 364 | I | 98.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | trans | -117.3 | 111.4 | 177.3 | -57.9 | -178.1 | 0 | 0 | 0 | 107.4 | P347 Y354 A357 L378 | P347-I364 HydrophobicContact CB-CB 4.24Å; P347-I364 HydrophobicContact CB-CG1 3.84Å; P347-I364 HydrophobicContact CB-CG2 4.08Å; Y354-I364 HydrophobicContact CD2-CD1 3.99Å; Y354-I364 HydrophobicContact CD2-CG2 4.47Å; Y354-I364 HydrophobicContact CE2-CD1 3.81Å; A357-I364 HydrophobicContact CB-CD1 4.26Å; A357-I364 HydrophobicContact CB-CG1 3.93Å; I364-L378 HydrophobicContact CG2-CB 4.49Å; I364-L378 HydrophobicContact CG2-CD1 4.06Å | ||
| 365 | K | 98.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -114.5 | 118 | -174.8 | -174.7 | 178.5 | 175.2 | -169.5 | 0 | 110.7 | M262 T265 V367 N391 | M262-K365 WeakPolarHBondContact O-CD 3.45Å; M262-K365 WeakPolarHBondContact O-CE 3.47Å; M262-K365 PolarHBondContact O-NZ 2.89Å; T265-K365 HydrophobicContact CG2-CB 3.77Å; K365-V367 HydrophobicContact CG-CG1 4.36Å; K365-N391 VanDerWaalsContact CE-ND2 3.32Å; K365-N391 WeakPolarHBondContact CE-ND2 3.49Å | ||
| 366 | P | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 21% | 0.214 | 33% | 0.328 | C | S | . | . | trans | -78 | 137.5 | 173.6 | 32.3 | -34.1 | 0 | 0 | 0 | 110.7 | P376 L378 F390 N391 | P366-P376 HydrophobicContact CB-CG 4.13Å; P366-L378 HydrophobicContact CB-CD1 3.66Å; P366-L378 HydrophobicContact CG-CD1 4.45Å; P366-F390 HydrophobicContact CB-CE1 4.06Å; P366-F390 HydrophobicContact CB-CZ 3.65Å; P366-F390 HydrophobicContact CG-CZ 3.9Å; P366-N391 WeakPolarHBondContact O-CB 3.48Å; P366-N391 PolarHBondContact O-ND2 3.39Å | ||
| 367 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -138 | -6.9 | 176.8 | -67.4 | 0 | 0 | 0 | 0 | 114.4 | M262 H349 K365 L389 F390 N391 | M262-V367 HydrophobicContact CB-CG1 4.26Å; H349-V367 VanDerWaalsContact CD2-CG2 3.41Å; H349-V367 WeakPolarHBondContact CD2-CG2 3.3Å; H349-V367 WeakPolarHBondContact NE2-CG2 3.16Å; H349-V367 PolarHBondContact NE2-N 2.81Å; K365-V367 HydrophobicContact CG-CG1 4.36Å; V367-L389 WeakPolarHBondContact O-CA 3.2Å; V367-L389 WeakPolarHBondContact O-CD2 3.26Å; V367-F390 VanDerWaalsContact C-CD1 3.44Å; V367-F390 CarbonylContact C-O 3.49Å; V367-F390 VanDerWaalsContact CA-O 3.29Å; V367-F390 WeakPolarHBondContact CA-O 3.3Å; V367-F390 PolarHBondContact O-N 3.44Å; V367-N391 HydrophobicContact CG1-CB 4.38Å | ||
| 368 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -114.6 | 130.6 | 174.7 | -57 | -85.3 | 0 | 0 | 0 | 109.3 | T260 H349 P376 L383 L389 F390 | T260-I368 HydrophobicContact CG2-CD1 3.95Å; T260-I368 HydrophobicContact CG2-CG1 3.79Å; H349-I368 VanDerWaalsContact CE1-CB 3.43Å; H349-I368 WeakPolarHBondContact CE1-CB 3.43Å; H349-I368 PolarHBondContact CE1-N 2.79Å; H349-I368 PolarHBondContact NE2-N 2.69Å; H349-I368 VanDerWaalsContact NE2-N 3.13Å; I368-P376 WeakPolarHBondContact O-CD 3.37Å; I368-P376 WeakPolarHBondContact O-CG 3.35Å; I368-L383 HydrophobicContact CB-CD2 4.31Å; I368-L383 HydrophobicContact CG2-CD2 4Å; I368-L389 HydrophobicContact CD1-CD2 3.33Å; I368-L389 HydrophobicContact CG1-CD2 4.19Å; I368-F390 WeakPolarHBondContact O-CE1 3.41Å |
| 369 | L | 98.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | trans | -71.3 | 150.2 | 173.3 | -65.4 | 173.3 | 0 | 0 | 0 | 111.3 | S374 V388 F390 | L369-S374 WeakPolarHBondContact CA-O 3.01Å; L369-S374 WeakPolarHBondContact CD2-O 3.48Å; L369-V388 HydrophobicContact CD1-CB 4.14Å; L369-V388 HydrophobicContact CD1-CG1 4.07Å; L369-V388 PolarHBondContact N-O 2.99Å; L369-F390 HydrophobicContact CD1-CB 4.46Å; L369-F390 HydrophobicContact CD2-CB 3.9Å; L369-F390 HydrophobicContact CD2-CD1 3.56Å; L369-F390 HydrophobicContact CD2-CD2 4.17Å; L369-F390 HydrophobicContact CD2-CE1 4.06Å; L369-F390 HydrophobicContact CD2-CG 3.62Å; L369-F390 HydrophobicContact CG-CB 4.02Å; L369-F390 HydrophobicContact CG-CD1 3.8Å; L369-F390 HydrophobicContact CG-CG 4.07Å | ||
| 370 | A | 96 | Very high | 96.5 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | trans | -65.6 | 169.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D372 G373 S374 | A370-D372 PolarHBondContact O-N 2.87Å; A370-G373 PolarHBondContact O-N 3.14Å; A370-S374 PolarHBondContact N-O 3.23Å | ||
| 371 | A | 91.2 | Very high | 96.5 | Very high | 119 Ų | 119 | 66.5 Ų | 66.5 | 98% | 0.983 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 372 | D | 94.1 | Very high | 96.5 | Very high | 129 Ų | 129 | 63.3 Ų | 63.3 | 69% | 0.69 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 2.1 | 176.8 | 68 | -7.3 | 0 | 0 | 0 | 113.8 | A370 S374 | A370-D372 PolarHBondContact O-N 2.87Å; D372-S374 VanDerWaalsContact OD1-CB 3.27Å; D372-S374 WeakPolarHBondContact OD1-CB 3.46Å; D372-S374 PolarHBondContact OD1-N 2.94Å; D372-S374 PolarHBondContact OD1-OG 3.39Å; D372-S374 PolarHBondContact OD2-OG 3.28Å |
| 373 | G | 94.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 84.2 | 6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A370 | A370-G373 PolarHBondContact O-N 3.14Š|
| 374 | S | 96.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -83.3 | 163.1 | 175.1 | 67 | 0 | 0 | 0 | 0 | 112.9 | L369 A370 D372 | L369-S374 WeakPolarHBondContact CA-O 3.01Å; L369-S374 WeakPolarHBondContact CD2-O 3.48Å; A370-S374 PolarHBondContact N-O 3.23Å; D372-S374 VanDerWaalsContact OD1-CB 3.27Å; D372-S374 WeakPolarHBondContact OD1-CB 3.46Å; D372-S374 PolarHBondContact OD1-N 2.94Å; D372-S374 PolarHBondContact OD1-OG 3.39Å; D372-S374 PolarHBondContact OD2-OG 3.28Å |
| 375 | E | 97 | Very high | 96.4 | Very high | 142 Ų | 142 | 64.7 Ų | 64.7 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 131.7 | 169.2 | -60.8 | -170.4 | -177.3 | 0 | 0 | 109.7 | F390 | E375-F390 HydrophobicContact CB-CE2 4.26Å; E375-F390 HydrophobicContact CB-CZ 4.16Å; E375-F390 HydrophobicContact CG-CD2 4.21Å; E375-F390 HydrophobicContact CG-CE2 3.56Å; E375-F390 HydrophobicContact CG-CZ 3.95Å |
| 376 | P | 96.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 69.1 Ų | 69.1 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 145.6 | -176.1 | 30.7 | -36.4 | 0 | 0 | 0 | 112.7 | P366 I368 L378 L383 | P366-P376 HydrophobicContact CB-CG 4.13Å; I368-P376 WeakPolarHBondContact O-CD 3.37Å; I368-P376 WeakPolarHBondContact O-CG 3.35Å; P376-L378 HydrophobicContact CB-CD2 4.22Å; P376-L378 HydrophobicContact CB-CG 4.48Å; P376-L378 HydrophobicContact CG-CD2 4.28Å; P376-L378 HydrophobicContact CG-CG 4.29Å; P376-L378 PolarHBondContact O-N 3.04Å; P376-L383 HydrophobicContact CB-CB 4.36Å; P376-L383 HydrophobicContact CB-CD2 4.01Å; P376-L383 HydrophobicContact CG-CD2 4.22Å |
| 377 | D | 96.2 | Very high | 96.2 | Very high | 129 Ų | 129 | 68.4 Ų | 68.4 | 69% | 0.69 | 39% | 0.391 | S | S | * | . | trans | -81.6 | 106.8 | 165.7 | -178.9 | 3.2 | 0 | 0 | 0 | 110 | S379 | D377-S379 WeakPolarHBondContact OD1-CB 3.47Å; D377-S379 PolarHBondContact OD1-N 3.15Å; D377-S379 PolarHBondContact OD1-OG 2.92Å; D377-S379 PolarHBondContact OD2-OG 3.07Å | ||
| 378 | L | 97.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | trans | -98.9 | 21.1 | 178.1 | -57.9 | 178.4 | 0 | 0 | 0 | 112.6 | G348 Y354 I364 P366 P376 Q380 L383 | G348-L378 WeakPolarHBondContact O-CD2 3.45Å; Y354-L378 WeakPolarHBondContact CE2-O 3.22Å; Y354-L378 PolarHBondContact OH-O 3.12Å; Y354-L378 VanDerWaalsContact OH-O 3.09Å; I364-L378 HydrophobicContact CG2-CB 4.49Å; I364-L378 HydrophobicContact CG2-CD1 4.06Å; P366-L378 HydrophobicContact CB-CD1 3.66Å; P366-L378 HydrophobicContact CG-CD1 4.45Å; P376-L378 HydrophobicContact CB-CD2 4.22Å; P376-L378 HydrophobicContact CB-CG 4.48Å; P376-L378 HydrophobicContact CG-CD2 4.28Å; P376-L378 HydrophobicContact CG-CG 4.29Å; P376-L378 PolarHBondContact O-N 3.04Å; L378-Q380 VanDerWaalsContact C-N 3.27Å; L378-Q380 PolarHBondContact O-N 3.27Å; L378-L383 HydrophobicContact CD2-CB 4.05Å | ||
| 379 | S | 94 | Very high | 96.2 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -72.4 | -18.8 | -178.7 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | Y354 D377 | Y354-S379 VanDerWaalsContact OH-C 3.26Å; Y354-S379 PolarHBondContact OH-O 3.19Å; D377-S379 WeakPolarHBondContact OD1-CB 3.47Å; D377-S379 PolarHBondContact OD1-N 3.15Å; D377-S379 PolarHBondContact OD1-OG 2.92Å; D377-S379 PolarHBondContact OD2-OG 3.07Å |
| 380 | Q | 94.4 | Very high | 96.2 | Very high | 155 Ų | 155 | 71 Ų | 71 | 72% | 0.724 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -113.2 | -43.2 | -177 | -64 | -60.2 | -58.3 | 0 | 0 | 113.4 | Y354 L378 | Y354-Q380 WeakPolarHBondContact CE1-O 3.32Å; Y354-Q380 PolarHBondContact OH-N 2.85Å; Y354-Q380 PolarHBondContact OH-O 3.23Å; L378-Q380 VanDerWaalsContact C-N 3.27Å; L378-Q380 PolarHBondContact O-N 3.27Å |
| 381 | Q | 96.7 | Very high | 96.3 | Very high | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -157.5 | 168.2 | -171.9 | 63.5 | 179.5 | 43.2 | 0 | 0 | 111.3 | ||
| 382 | A | 97.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | trans | -70.4 | 151.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y354 T384 | Y354-A382 HydrophobicContact CG-CB 4.41Å; A382-T384 HydrophobicContact CB-CG2 4.43Å | ||
| 383 | L | 98.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -90.3 | 102.3 | 164.7 | 178.8 | 77.4 | 0 | 0 | 0 | 108.8 | G348 H349 I368 P376 L378 E385 | G348-L383 PolarHBondContact O-N 3.39Å; H349-L383 VanDerWaalsContact CA-O 3.27Å; H349-L383 WeakPolarHBondContact CA-O 3.49Å; H349-L383 PolarHBondContact ND1-O 2.85Å; I368-L383 HydrophobicContact CB-CD2 4.31Å; I368-L383 HydrophobicContact CG2-CD2 4Å; P376-L383 HydrophobicContact CB-CB 4.36Å; P376-L383 HydrophobicContact CB-CD2 4.01Å; P376-L383 HydrophobicContact CG-CD2 4.22Å; L378-L383 HydrophobicContact CD2-CB 4.05Å; L383-E385 HydrophobicContact CD1-CB 4.37Å; L383-E385 WeakPolarHBondContact CD1-OE2 3.27Å | ||
| 384 | T | 97.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | trans | -86.3 | -19.2 | -173.8 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | R257 A382 | R257-T384 PolarHBondContact NH1-O 3.21Å; A382-T384 HydrophobicContact CB-CG2 4.43Å | ||
| 385 | E | 96.4 | Very high | 97 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -61.9 | 146.7 | -178.3 | -68.1 | 72.8 | -173.9 | 0 | 0 | 110.9 | L383 | L383-E385 HydrophobicContact CD1-CB 4.37Å; L383-E385 WeakPolarHBondContact CD1-OE2 3.27Å |
| 386 | K | 96.7 | Very high | 97.1 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -82 | 135.4 | 175 | -68.6 | 173.1 | 170.8 | -160.1 | 0 | 108.8 | H400 | K386-H400 HydrophobicContact CB-CB 3.93Å; K386-H400 VanDerWaalsContact CE-CE1 3.43Å; K386-H400 WeakPolarHBondContact CE-CE1 3.05Å; K386-H400 VanDerWaalsContact CE-NE2 3.3Å; K386-H400 WeakPolarHBondContact CE-NE2 3.36Å; K386-H400 HydrophobicContact CG-CB 4.46Å; K386-H400 PolarHBondContact NZ-CE1 2.99Å; K386-H400 PolarHBondContact NZ-NE2 2.85Å | ||
| 387 | G | 95.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | trans | -157.3 | -166.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | H400 | G387-H400 PolarHBondContact O-N 2.71Š| ||
| 388 | V | 98.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | trans | -81.6 | 139.2 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | L369 L398 | L369-V388 HydrophobicContact CD1-CB 4.14Å; L369-V388 HydrophobicContact CD1-CG1 4.07Å; L369-V388 PolarHBondContact N-O 2.99Å; V388-L398 CarbonylContact C-O 3.51Å; V388-L398 WeakPolarHBondContact CA-O 3.15Å | ||
| 389 | L | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 139.3 | 177.8 | -68.9 | -171.8 | 0 | 0 | 0 | 113.6 | D259 V367 I368 F395 G397 L398 A403 I407 | D259-L389 WeakPolarHBondContact O-CD1 3.29Å; D259-L389 WeakPolarHBondContact O-CD2 3.24Å; V367-L389 WeakPolarHBondContact O-CA 3.2Å; V367-L389 WeakPolarHBondContact O-CD2 3.26Å; I368-L389 HydrophobicContact CD1-CD2 3.33Å; I368-L389 HydrophobicContact CG1-CD2 4.19Å; L389-F395 HydrophobicContact CD1-CB 3.82Å; L389-G397 PolarHBondContact O-N 2.85Å; L389-L398 PolarHBondContact N-O 3Å; L389-A403 HydrophobicContact CD1-CB 3.49Å; L389-A403 VanDerWaalsContact CD1-CB 3.49Å; L389-A403 HydrophobicContact CG-CB 3.85Å; L389-I407 HydrophobicContact CD1-CD1 4.06Å |
| 390 | F | 98.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 13% | 0.127 | 35% | 0.345 | C | S | . | . | trans | -136.4 | 172.3 | 163.4 | 83.2 | -66.4 | 0 | 0 | 0 | 109.4 | P366 V367 I368 L369 E375 S392 N396 | P366-F390 HydrophobicContact CB-CE1 4.06Å; P366-F390 HydrophobicContact CB-CZ 3.65Å; P366-F390 HydrophobicContact CG-CZ 3.9Å; V367-F390 VanDerWaalsContact C-CD1 3.44Å; V367-F390 CarbonylContact C-O 3.49Å; V367-F390 VanDerWaalsContact CA-O 3.29Å; V367-F390 WeakPolarHBondContact CA-O 3.3Å; V367-F390 PolarHBondContact O-N 3.44Å; I368-F390 WeakPolarHBondContact O-CE1 3.41Å; L369-F390 HydrophobicContact CD1-CB 4.46Å; L369-F390 HydrophobicContact CD2-CB 3.9Å; L369-F390 HydrophobicContact CD2-CD1 3.56Å; L369-F390 HydrophobicContact CD2-CD2 4.17Å; L369-F390 HydrophobicContact CD2-CE1 4.06Å; L369-F390 HydrophobicContact CD2-CG 3.62Å; L369-F390 HydrophobicContact CG-CB 4.02Å; L369-F390 HydrophobicContact CG-CD1 3.8Å; L369-F390 HydrophobicContact CG-CG 4.07Å; E375-F390 HydrophobicContact CB-CE2 4.26Å; E375-F390 HydrophobicContact CB-CZ 4.16Å; E375-F390 HydrophobicContact CG-CD2 4.21Å; E375-F390 HydrophobicContact CG-CE2 3.56Å; E375-F390 HydrophobicContact CG-CZ 3.95Å; F390-S392 WeakPolarHBondContact O-CB 3.37Å; F390-S392 PolarHBondContact O-N 2.96Å; F390-S392 PolarHBondContact O-OG 3.45Å; F390-N396 VanDerWaalsContact CA-OD1 3.28Å; F390-N396 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 391 | N | 98 | Very high | 97.4 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 52.4 | 29.3 | 179.9 | -164.7 | 24.6 | 0 | 0 | 0 | 114.4 | K365 P366 V367 N396 | K365-N391 VanDerWaalsContact CE-ND2 3.32Å; K365-N391 WeakPolarHBondContact CE-ND2 3.49Å; P366-N391 WeakPolarHBondContact O-CB 3.48Å; P366-N391 PolarHBondContact O-ND2 3.39Å; V367-N391 HydrophobicContact CG1-CB 4.38Å; N391-N396 PolarHBondContact N-OD1 3.36Å |
| 392 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -127.3 | 23 | -168.6 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | F390 E394 F395 N396 | F390-S392 WeakPolarHBondContact O-CB 3.37Å; F390-S392 PolarHBondContact O-N 2.96Å; F390-S392 PolarHBondContact O-OG 3.45Å; S392-E394 PolarHBondContact O-N 3.04Å; S392-F395 WeakPolarHBondContact O-CD2 3.45Å; S392-F395 PolarHBondContact O-N 3.45Å; S392-N396 WeakPolarHBondContact CA-OD1 3.48Å; S392-N396 PolarHBondContact N-OD1 3.41Å | ||
| 393 | G | 96.5 | Very high | 97.4 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 60 | -122.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F395 N396 | G393-F395 PolarHBondContact O-N 2.75Å; G393-F395 VanDerWaalsContact O-N 3.17Å; G393-N396 PolarHBondContact O-N 2.8Å; G393-N396 PolarHBondContact O-ND2 2.88Å |
| 394 | E | 97.5 | Very high | 97.4 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 64% | 0.64 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -64.7 | -14.1 | -178.3 | 69.6 | -176.6 | 90 | 0 | 0 | 114.1 | S392 K410 | S392-E394 PolarHBondContact O-N 3.04Å; E394-K410 IonicContact OE1-NZ 3.66Å; E394-K410 PolarHBondContact OE1-NZ 2.86Å; E394-K410 IonicContact OE2-NZ 3.49Å; E394-K410 PolarHBondContact OE2-NZ 3.48Å |
| 395 | F | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -97.5 | 0.2 | -178.2 | -48.6 | -71.5 | 0 | 0 | 0 | 114.3 | M262 L321 L389 S392 G393 G397 L398 A406 I407 K410 | M262-F395 HydrophobicContact CG-CD2 4.33Å; L321-F395 HydrophobicContact CD1-CE2 3.8Å; L321-F395 HydrophobicContact CD1-CZ 4.25Å; L389-F395 HydrophobicContact CD1-CB 3.82Å; S392-F395 WeakPolarHBondContact O-CD2 3.45Å; S392-F395 PolarHBondContact O-N 3.45Å; G393-F395 PolarHBondContact O-N 2.75Å; G393-F395 VanDerWaalsContact O-N 3.17Å; F395-G397 PolarHBondContact O-N 2.79Å; F395-L398 HydrophobicContact CB-CD1 4.33Å; F395-L398 HydrophobicContact CD1-CD1 4.44Å; F395-L398 WeakPolarHBondContact O-CG 3.4Å; F395-L398 PolarHBondContact O-N 2.77Å; F395-A406 HydrophobicContact CD1-CB 3.85Å; F395-A406 HydrophobicContact CE1-CB 4.03Å; F395-I407 HydrophobicContact CB-CD1 4.44Å; F395-I407 HydrophobicContact CB-CG1 4.46Å; F395-I407 HydrophobicContact CD1-CD1 4.49Å; F395-I407 HydrophobicContact CD1-CG1 3.65Å; F395-I407 HydrophobicContact CD2-CD1 4.06Å; F395-I407 HydrophobicContact CD2-CG1 3.76Å; F395-I407 HydrophobicContact CE1-CG1 3.71Å; F395-I407 HydrophobicContact CE2-CG1 3.86Å; F395-I407 HydrophobicContact CG-CD1 4.06Å; F395-I407 HydrophobicContact CG-CG1 3.67Å; F395-I407 HydrophobicContact CZ-CG1 3.81Å; F395-K410 HydrophobicContact CE1-CB 4.39Å; F395-K410 HydrophobicContact CZ-CB 4.06Å; F395-K410 HydrophobicContact CZ-CG 4.09Å |
| 396 | N | 98.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 137.8 | 179.8 | -76.2 | -26.7 | 0 | 0 | 0 | 112.1 | F390 N391 S392 G393 L398 | F390-N396 VanDerWaalsContact CA-OD1 3.28Å; F390-N396 WeakPolarHBondContact CA-OD1 3.29Å; N391-N396 PolarHBondContact N-OD1 3.36Å; S392-N396 WeakPolarHBondContact CA-OD1 3.48Å; S392-N396 PolarHBondContact N-OD1 3.41Å; G393-N396 PolarHBondContact O-N 2.8Å; G393-N396 PolarHBondContact O-ND2 2.88Å; N396-L398 VanDerWaalsContact C-N 3.32Å |
| 397 | G | 97.2 | Very high | 97.6 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -4.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L389 F395 | L389-G397 PolarHBondContact O-N 2.85Å; F395-G397 PolarHBondContact O-N 2.79Å |
| 398 | L | 98.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | trans | -77.7 | 141.6 | 173.1 | -61.7 | -179.6 | 0 | 0 | 0 | 111 | V388 L389 F395 N396 A402 A403 A406 | V388-L398 CarbonylContact C-O 3.51Å; V388-L398 WeakPolarHBondContact CA-O 3.15Å; L389-L398 PolarHBondContact N-O 3Å; F395-L398 HydrophobicContact CB-CD1 4.33Å; F395-L398 HydrophobicContact CD1-CD1 4.44Å; F395-L398 WeakPolarHBondContact O-CG 3.4Å; F395-L398 PolarHBondContact O-N 2.77Å; N396-L398 VanDerWaalsContact C-N 3.32Å; L398-A402 HydrophobicContact CB-CB 4.3Å; L398-A402 HydrophobicContact CD2-CB 4.17Å; L398-A403 HydrophobicContact CB-CB 3.95Å; L398-A406 HydrophobicContact CD1-CB 3.78Å | ||
| 399 | D | 97.3 | Very high | 97.7 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | trans | -75 | 173.1 | 166.9 | 65.7 | 27.6 | 0 | 0 | 0 | 111.5 | E401 A402 A403 | D399-E401 PolarHBondContact O-N 2.84Å; D399-E401 PolarHBondContact OD1-N 2.72Å; D399-A402 PolarHBondContact O-N 3.14Å; D399-A402 WeakPolarHBondContact OD1-CB 3.47Å; D399-A402 PolarHBondContact OD1-N 3.29Å; D399-A403 WeakPolarHBondContact O-CA 3.46Å; D399-A403 WeakPolarHBondContact O-CB 3.13Å; D399-A403 PolarHBondContact O-N 2.74Å | ||
| 400 | H | 96.2 | Very high | 97.7 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.2 | -45.7 | -175.6 | 172.1 | 72.7 | 0 | 0 | 0 | 114.1 | D259 K386 G387 F404 | D259-H400 IonicContact OD1-CE1 3.9Å; D259-H400 IonicContact OD1-ND1 3.96Å; D259-H400 IonicContact OD2-CE1 2.7Å; D259-H400 IonicContact OD2-CG 2.73Å; D259-H400 IonicContact OD2-ND1 3.49Å; D259-H400 PolarHBondContact OD2-ND1 2.86Å; K386-H400 HydrophobicContact CB-CB 3.93Å; K386-H400 VanDerWaalsContact CE-CE1 3.43Å; K386-H400 WeakPolarHBondContact CE-CE1 3.05Å; K386-H400 VanDerWaalsContact CE-NE2 3.3Å; K386-H400 WeakPolarHBondContact CE-NE2 3.36Å; K386-H400 HydrophobicContact CG-CB 4.46Å; K386-H400 PolarHBondContact NZ-CE1 2.99Å; K386-H400 PolarHBondContact NZ-NE2 2.85Å; G387-H400 PolarHBondContact O-N 2.71Å; H400-F404 WeakPolarHBondContact O-CB 3.4Å; H400-F404 PolarHBondContact O-N 2.95Å |
| 401 | E | 95.2 | Very high | 97.7 | Very high | 149 Ų | 149 | 50.2 Ų | 50.2 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.3 | -46.2 | -175.6 | -68.9 | -178.9 | -167.3 | 0 | 0 | 110.9 | D399 N405 | D399-E401 PolarHBondContact O-N 2.84Å; D399-E401 PolarHBondContact OD1-N 2.72Å; E401-N405 PolarHBondContact O-N 3.5Å; E401-N405 PolarHBondContact O-ND2 3.37Å |
| 402 | A | 97.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L398 D399 N405 A406 | L398-A402 HydrophobicContact CB-CB 4.3Å; L398-A402 HydrophobicContact CD2-CB 4.17Å; D399-A402 PolarHBondContact O-N 3.14Å; D399-A402 WeakPolarHBondContact OD1-CB 3.47Å; D399-A402 PolarHBondContact OD1-N 3.29Å; A402-N405 PolarHBondContact O-N 3.31Å; A402-A406 VanDerWaalsContact O-CB 3.29Å; A402-A406 WeakPolarHBondContact O-CB 3.5Å; A402-A406 PolarHBondContact O-N 2.87Å |
| 403 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D259 L389 L398 D399 N405 A406 I407 | D259-A403 HydrophobicContact CB-CB 3.98Å; L389-A403 HydrophobicContact CD1-CB 3.49Å; L389-A403 VanDerWaalsContact CD1-CB 3.49Å; L389-A403 HydrophobicContact CG-CB 3.85Å; L398-A403 HydrophobicContact CB-CB 3.95Å; D399-A403 WeakPolarHBondContact O-CA 3.46Å; D399-A403 WeakPolarHBondContact O-CB 3.13Å; D399-A403 PolarHBondContact O-N 2.74Å; A403-N405 PolarHBondContact O-N 2.99Å; A403-A406 PolarHBondContact O-N 3.34Å; A403-I407 WeakPolarHBondContact O-CB 3.19Å; A403-I407 WeakPolarHBondContact O-CG1 3.48Å; A403-I407 PolarHBondContact O-N 2.75Å |
| 404 | F | 98.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -52.9 | -50.1 | 175.2 | -177.1 | -69.2 | 0 | 0 | 0 | 109.7 | V238 P258 H400 A408 | V238-F404 HydrophobicContact CG2-CE1 4.35Å; V238-F404 HydrophobicContact CG2-CZ 4.28Å; P258-F404 HydrophobicContact CG-CB 4.35Å; P258-F404 HydrophobicContact CG-CD1 4.05Å; P258-F404 HydrophobicContact CG-CD2 3.23Å; P258-F404 HydrophobicContact CG-CE1 4.09Å; P258-F404 HydrophobicContact CG-CE2 3.31Å; P258-F404 HydrophobicContact CG-CG 3.62Å; P258-F404 HydrophobicContact CG-CZ 3.74Å; H400-F404 WeakPolarHBondContact O-CB 3.4Å; H400-F404 PolarHBondContact O-N 2.95Å; F404-A408 WeakPolarHBondContact O-CB 3.42Å; F404-A408 PolarHBondContact O-N 3.15Å |
| 405 | N | 97.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | -177.3 | -71.2 | -45 | 0 | 0 | 0 | 112.4 | E401 A402 A403 I407 A408 D409 R419 | E401-N405 PolarHBondContact O-N 3.5Å; E401-N405 PolarHBondContact O-ND2 3.37Å; A402-N405 PolarHBondContact O-N 3.31Å; A403-N405 PolarHBondContact O-N 2.99Å; N405-I407 VanDerWaalsContact C-N 3.35Å; N405-I407 PolarHBondContact O-N 3.34Å; N405-A408 PolarHBondContact O-N 3.39Å; N405-D409 WeakPolarHBondContact O-CB 3.43Å; N405-D409 PolarHBondContact O-N 3.27Å; N405-R419 VanDerWaalsContact OD1-CZ 3.25Å; N405-R419 PolarHBondContact OD1-NH1 3.07Å; N405-R419 PolarHBondContact OD1-NH2 3.44Å |
| 406 | A | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F395 L398 A402 A403 K410 | F395-A406 HydrophobicContact CD1-CB 3.85Å; F395-A406 HydrophobicContact CE1-CB 4.03Å; L398-A406 HydrophobicContact CD1-CB 3.78Å; A402-A406 VanDerWaalsContact O-CB 3.29Å; A402-A406 WeakPolarHBondContact O-CB 3.5Å; A402-A406 PolarHBondContact O-N 2.87Å; A403-A406 PolarHBondContact O-N 3.34Å; A406-K410 WeakPolarHBondContact O-CB 3.36Å; A406-K410 PolarHBondContact O-N 2.87Å |
| 407 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 179 | -67.1 | 173.2 | 0 | 0 | 0 | 110.7 | P258 F261 L389 F395 A403 N405 D409 K410 L411 | P258-I407 HydrophobicContact CB-CG2 4.34Å; P258-I407 WeakPolarHBondContact O-CD1 3.34Å; P258-I407 WeakPolarHBondContact O-CG2 3.48Å; F261-I407 HydrophobicContact CB-CG2 4.05Å; F261-I407 HydrophobicContact CD1-CG2 4.27Å; F261-I407 HydrophobicContact CG-CG2 4.49Å; L389-I407 HydrophobicContact CD1-CD1 4.06Å; F395-I407 HydrophobicContact CB-CD1 4.44Å; F395-I407 HydrophobicContact CB-CG1 4.46Å; F395-I407 HydrophobicContact CD1-CD1 4.49Å; F395-I407 HydrophobicContact CD1-CG1 3.65Å; F395-I407 HydrophobicContact CD2-CD1 4.06Å; F395-I407 HydrophobicContact CD2-CG1 3.76Å; F395-I407 HydrophobicContact CE1-CG1 3.71Å; F395-I407 HydrophobicContact CE2-CG1 3.86Å; F395-I407 HydrophobicContact CG-CD1 4.06Å; F395-I407 HydrophobicContact CG-CG1 3.67Å; F395-I407 HydrophobicContact CZ-CG1 3.81Å; A403-I407 WeakPolarHBondContact O-CB 3.19Å; A403-I407 WeakPolarHBondContact O-CG1 3.48Å; A403-I407 PolarHBondContact O-N 2.75Å; N405-I407 VanDerWaalsContact C-N 3.35Å; N405-I407 PolarHBondContact O-N 3.34Å; I407-D409 VanDerWaalsContact C-N 3.35Å; I407-D409 PolarHBondContact O-N 3.39Å; I407-K410 PolarHBondContact O-N 2.98Å; I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.33Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.36Å; I407-L411 PolarHBondContact O-N 2.86Å |
| 408 | A | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V238 F404 N405 K410 L411 T412 R419 | V238-A408 HydrophobicContact CG2-CB 3.69Å; F404-A408 WeakPolarHBondContact O-CB 3.42Å; F404-A408 PolarHBondContact O-N 3.15Å; N405-A408 PolarHBondContact O-N 3.39Å; A408-K410 VanDerWaalsContact C-N 3.32Å; A408-K410 PolarHBondContact O-N 2.79Å; A408-L411 PolarHBondContact O-N 2.87Å; A408-T412 PolarHBondContact O-N 3.19Å; A408-T412 PolarHBondContact O-OG1 3.21Å; A408-R419 HydrophobicContact CB-CG 4.12Å |
| 409 | D | 98.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | -178.5 | -65.7 | -3.4 | 0 | 0 | 0 | 111.5 | N405 I407 T412 A413 R419 | N405-D409 WeakPolarHBondContact O-CB 3.43Å; N405-D409 PolarHBondContact O-N 3.27Å; I407-D409 VanDerWaalsContact C-N 3.35Å; I407-D409 PolarHBondContact O-N 3.39Å; D409-T412 PolarHBondContact O-N 3.06Å; D409-A413 VanDerWaalsContact O-CB 3.29Å; D409-A413 WeakPolarHBondContact O-CB 3.37Å; D409-A413 PolarHBondContact O-N 2.85Å; D409-R419 IonicContact OD1-CZ 3.67Å; D409-R419 IonicContact OD1-NE 2.8Å; D409-R419 IonicContact OD1-NH2 3.54Å; D409-R419 PolarHBondContact OD1-NH2 3.26Å |
| 410 | K | 98.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.7 | -175.6 | 67.7 | 167.8 | -129.9 | 0 | 111.8 | L321 E394 F395 A406 I407 A408 T412 A413 M414 | L321-K410 HydrophobicContact CD2-CG 3.91Å; E394-K410 IonicContact OE1-NZ 3.66Å; E394-K410 PolarHBondContact OE1-NZ 2.86Å; E394-K410 IonicContact OE2-NZ 3.49Å; E394-K410 PolarHBondContact OE2-NZ 3.48Å; F395-K410 HydrophobicContact CE1-CB 4.39Å; F395-K410 HydrophobicContact CZ-CB 4.06Å; F395-K410 HydrophobicContact CZ-CG 4.09Å; A406-K410 WeakPolarHBondContact O-CB 3.36Å; A406-K410 PolarHBondContact O-N 2.87Å; I407-K410 PolarHBondContact O-N 2.98Å; A408-K410 VanDerWaalsContact C-N 3.32Å; A408-K410 PolarHBondContact O-N 2.79Å; K410-T412 VanDerWaalsContact C-N 3.33Å; K410-T412 PolarHBondContact O-N 3.18Å; K410-A413 PolarHBondContact O-N 3.4Å; K410-M414 HydrophobicContact CD-SD 4.36Å; K410-M414 HydrophobicContact CG-SD 4.06Å; K410-M414 WeakPolarHBondContact O-CG 3.26Å; K410-M414 PolarHBondContact O-N 2.84Å |
| 411 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.8 | -65.9 | 170 | 0 | 0 | 0 | 111.4 | V238 I240 F261 P320 L321 I407 A408 M414 G415 V416 G417 | V238-L411 HydrophobicContact CG1-CD1 4.35Å; I240-L411 HydrophobicContact CD1-CD1 3.7Å; I240-L411 HydrophobicContact CG1-CD1 3.89Å; I240-L411 HydrophobicContact CG2-CD1 4.23Å; I240-L411 HydrophobicContact CG2-CD2 4.4Å; F261-L411 HydrophobicContact CD1-CD1 4.25Å; F261-L411 HydrophobicContact CD1-CD2 4.35Å; F261-L411 HydrophobicContact CE1-CD1 4.22Å; F261-L411 HydrophobicContact CE1-CD2 3.75Å; F261-L411 HydrophobicContact CZ-CD2 4.39Å; P320-L411 HydrophobicContact CB-CD2 4.34Å; L321-L411 HydrophobicContact CD1-CD2 4.38Å; L321-L411 HydrophobicContact CD2-CD2 4.07Å; L321-L411 HydrophobicContact CG-CD2 4.15Å; I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.33Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.36Å; I407-L411 PolarHBondContact O-N 2.86Å; A408-L411 PolarHBondContact O-N 2.87Å; L411-M414 PolarHBondContact O-N 3.33Å; L411-G415 PolarHBondContact O-N 2.85Å; L411-V416 HydrophobicContact CB-CG2 4.35Å; L411-V416 HydrophobicContact CD2-CG2 3.86Å; L411-V416 PolarHBondContact O-N 2.6Å; L411-G417 PolarHBondContact O-N 3.12Å |
| 412 | T | 97.7 | Very high | 96.9 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 173 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | A408 D409 K410 M414 G415 G417 | A408-T412 PolarHBondContact O-N 3.19Å; A408-T412 PolarHBondContact O-OG1 3.21Å; D409-T412 PolarHBondContact O-N 3.06Å; K410-T412 VanDerWaalsContact C-N 3.33Å; K410-T412 PolarHBondContact O-N 3.18Å; T412-M414 PolarHBondContact O-N 2.91Å; T412-G415 PolarHBondContact O-N 2.86Å; T412-G417 WeakPolarHBondContact CA-O 3.42Å; T412-G417 WeakPolarHBondContact CB-O 3.31Å; T412-G417 PolarHBondContact N-O 3.17Å; T412-G417 PolarHBondContact OG1-O 3.47Å |
| 413 | A | 98 | Very high | 96.5 | Very high | 89 Ų | 89 | 51 Ų | 51 | 74% | 0.736 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.4 | -29.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D409 K410 G415 | D409-A413 VanDerWaalsContact O-CB 3.29Å; D409-A413 WeakPolarHBondContact O-CB 3.37Å; D409-A413 PolarHBondContact O-N 2.85Å; K410-A413 PolarHBondContact O-N 3.4Å; A413-G415 VanDerWaalsContact C-N 3.32Å |
| 414 | M | 98.1 | Very high | 96 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.5 | 175.2 | -71.6 | 173.1 | 62.5 | 0 | 0 | 113.6 | P320 L321 K410 L411 T412 V416 | P320-M414 HydrophobicContact CB-CE 4.46Å; P320-M414 WeakPolarHBondContact O-CE 3.37Å; L321-M414 HydrophobicContact CD2-CE 4.17Å; L321-M414 HydrophobicContact CD2-SD 3.58Å; L321-M414 VanDerWaalsContact CD2-SD 3.58Å; K410-M414 HydrophobicContact CD-SD 4.36Å; K410-M414 HydrophobicContact CG-SD 4.06Å; K410-M414 WeakPolarHBondContact O-CG 3.26Å; K410-M414 PolarHBondContact O-N 2.84Å; L411-M414 PolarHBondContact O-N 3.33Å; T412-M414 PolarHBondContact O-N 2.91Å; M414-V416 VanDerWaalsContact C-N 3.26Å; M414-V416 HydrophobicContact CB-CG2 3.78Å; M414-V416 HydrophobicContact CE-CG2 4.45Å; M414-V416 PolarHBondContact O-N 2.98Å |
| 415 | G | 97.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 73% | 0.732 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 20.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L411 T412 A413 | L411-G415 PolarHBondContact O-N 2.85Å; T412-G415 PolarHBondContact O-N 2.86Å; A413-G415 VanDerWaalsContact C-N 3.32Å |
| 416 | V | 98 | Very high | 95.2 | Very high | 32 Ų | 32 | 54 Ų | 54 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -117.7 | 10.4 | -177.5 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | T241 P320 L411 M414 | T241-V416 PolarHBondContact N-O 3.27Å; P320-V416 HydrophobicContact CB-CG2 3.97Å; P320-V416 HydrophobicContact CG-CG2 4.45Å; L411-V416 HydrophobicContact CB-CG2 4.35Å; L411-V416 HydrophobicContact CD2-CG2 3.86Å; L411-V416 PolarHBondContact O-N 2.6Å; M414-V416 VanDerWaalsContact C-N 3.26Å; M414-V416 HydrophobicContact CB-CG2 3.78Å; M414-V416 HydrophobicContact CE-CG2 4.45Å; M414-V416 PolarHBondContact O-N 2.98Å |
| 417 | G | 96.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 159.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | E239 L411 T412 | E239-G417 CarbonylContact O-C 3.44Å; E239-G417 WeakPolarHBondContact O-CA 3.08Å; L411-G417 PolarHBondContact O-N 3.12Å; T412-G417 WeakPolarHBondContact CA-O 3.42Å; T412-G417 WeakPolarHBondContact CB-O 3.31Å; T412-G417 PolarHBondContact N-O 3.17Å; T412-G417 PolarHBondContact OG1-O 3.47Å |
| 418 | E | 97.4 | Very high | 94.6 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.3 | 176.9 | 62.9 | 175 | -177.2 | 0 | 0 | 111 | V238 E239 K420 | V238-E418 CarbonylContact C-O 3.48Å; V238-E418 WeakPolarHBondContact CA-O 3.45Å; V238-E418 WeakPolarHBondContact CG1-O 3.21Å; E239-E418 PolarHBondContact N-O 2.77Å; E239-E418 PolarHBondContact O-N 3.24Å; E418-K420 PolarHBondContact O-N 3.08Å |
| 419 | R | 96.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 54.2 Ų | 54.2 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.6 | 172.5 | -67.4 | 174 | -174.9 | -107.3 | 6.6 | 108.9 | G237 N405 A408 D409 | G237-R419 WeakPolarHBondContact O-CA 3.35Å; N405-R419 VanDerWaalsContact OD1-CZ 3.25Å; N405-R419 PolarHBondContact OD1-NH1 3.07Å; N405-R419 PolarHBondContact OD1-NH2 3.44Å; A408-R419 HydrophobicContact CB-CG 4.12Å; D409-R419 IonicContact OD1-CZ 3.67Å; D409-R419 IonicContact OD1-NE 2.8Å; D409-R419 IonicContact OD1-NH2 3.54Å; D409-R419 PolarHBondContact OD1-NH2 3.26Å |
| 420 | K | 93 | Very high | 94.2 | Very high | 80 Ų | 80 | 50 Ų | 50 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.6 | -176 | -173 | 68.7 | 169.9 | -170.7 | 0 | 110.6 | G237 E239 Y254 E418 | G237-K420 CarbonylContact C-O 3.57Å; G237-K420 PolarHBondContact N-O 3.33Å; G237-K420 PolarHBondContact O-N 3.14Å; E239-K420 HydrophobicContact CG-CB 3.98Å; E239-K420 HydrophobicContact CG-CG 4.05Å; Y254-K420 HydrophobicContact CD2-CB 4.34Å; Y254-K420 HydrophobicContact CE2-CB 4.19Å; Y254-K420 HydrophobicContact CE2-CG 4.49Å; E418-K420 PolarHBondContact O-N 3.08Å |
| 421 | V | 91.5 | Very high | 93.9 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.1 | 165.3 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | R234 S235 E236 Y423 | R234-V421 HydrophobicContact CG-CG1 4.12Å; S235-V421 WeakPolarHBondContact O-CA 3.47Å; E236-V421 HydrophobicContact CG-CG2 4.33Å; V421-Y423 HydrophobicContact CG1-CE2 3.97Å |
| 422 | N | 89 | Confident | 93.5 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.2 | 173.7 | -90.8 | -36.9 | 0 | 0 | 0 | 110.9 | S235 Y254 | S235-N422 PolarHBondContact N-O 2.94Å; S235-N422 PolarHBondContact O-N 3.47Å; S235-N422 PolarHBondContact OG-O 3.25Å; Y254-N422 WeakPolarHBondContact CD1-ND2 3.37Å; Y254-N422 WeakPolarHBondContact CD2-ND2 3.4Å; Y254-N422 HydrophobicContact CE1-CB 3.89Å; Y254-N422 HydrophobicContact CE2-CB 4.15Å; Y254-N422 VanDerWaalsContact CE2-ND2 3.29Å; Y254-N422 WeakPolarHBondContact CE2-ND2 3.34Å |
| 423 | Y | 89.6 | Confident | 93.2 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | trans | -123 | 146.4 | 177 | -57.6 | -88.9 | 0 | 0 | 0 | 110.1 | A207 D208 I232 R234 V421 L425 | A207-Y423 HydrophobicContact CB-CD1 3.5Å; A207-Y423 HydrophobicContact CB-CD2 4.18Å; A207-Y423 HydrophobicContact CB-CE1 3.5Å; A207-Y423 VanDerWaalsContact CB-CE1 3.5Å; A207-Y423 HydrophobicContact CB-CE2 4.19Å; A207-Y423 HydrophobicContact CB-CG 3.86Å; D208-Y423 WeakPolarHBondContact OD1-CE1 3.48Å; D208-Y423 PolarHBondContact OD1-OH 3.38Å; D208-Y423 PolarHBondContact OD2-OH 2.88Å; D208-Y423 VanDerWaalsContact OD2-OH 3.12Å; I232-Y423 HydrophobicContact CG2-CD1 3.93Å; R234-Y423 HydrophobicContact CB-CD1 3.82Å; R234-Y423 HydrophobicContact CB-CE1 3.73Å; R234-Y423 HydrophobicContact CG-CD1 4.13Å; R234-Y423 HydrophobicContact CG-CE1 3.61Å; V421-Y423 HydrophobicContact CG1-CE2 3.97Å; Y423-L425 VanDerWaalsContact C-N 3.31Å | ||
| 424 | R | 87.7 | Confident | 92.8 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -70.8 | -33.2 | 164.4 | -174.5 | 178.4 | 176.9 | 179.6 | -6.7 | 111.6 | I232 G233 E300 R426 | I232-R424 PolarHBondContact O-N 3.2Å; G233-R424 PolarHBondContact O-N 3.01Å; G233-R424 VanDerWaalsContact O-N 3.08Å; E300-R424 IonicContact OE1-CZ 2.8Å; E300-R424 IonicContact OE1-NE 3.54Å; E300-R424 PolarHBondContact OE1-NE 2.56Å; E300-R424 VanDerWaalsContact OE1-NE 3.11Å; E300-R424 IonicContact OE1-NH2 2.85Å; E300-R424 IonicContact OE2-CZ 2.65Å; E300-R424 IonicContact OE2-NE 3.69Å; E300-R424 PolarHBondContact OE2-NE 3.48Å; E300-R424 VanDerWaalsContact OE2-NE 3.15Å; E300-R424 IonicContact OE2-NH2 2.74Å; E300-R424 PolarHBondContact OE2-NH2 3.19Å; R424-R426 PolarHBondContact O-N 3.26Å |
| 425 | L | 90.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | trans | -51.8 | 133.5 | 174.9 | -170.4 | 61 | 0 | 0 | 0 | 110.8 | I203 T204 A207 I232 Y423 L547 | I203-L425 HydrophobicContact CG1-CD2 4.23Å; I203-L425 HydrophobicContact CG2-CD2 4.26Å; I203-L425 HydrophobicContact CG2-CG 4.35Å; T204-L425 HydrophobicContact CG2-CB 4.45Å; T204-L425 HydrophobicContact CG2-CG 4.23Å; T204-L425 WeakPolarHBondContact CG2-O 3.48Å; A207-L425 HydrophobicContact CB-CD2 4.12Å; I232-L425 PolarHBondContact O-N 2.91Å; Y423-L425 VanDerWaalsContact C-N 3.31Å; L425-L547 HydrophobicContact CD1-CD2 3.92Å | ||
| 426 | R | 87.7 | Confident | 92.5 | Very high | 61 Ų | 61 | 36.4 Ų | 36.4 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | trans | -108.7 | 162 | 171.4 | -56.2 | -175.3 | -168.8 | 153.3 | -0.8 | 109.4 | N176 I203 R424 | N176-R426 WeakPolarHBondContact ND2-CD 3.44Å; N176-R426 PolarHBondContact OD1-NH1 3.1Å; I203-R426 WeakPolarHBondContact CG2-O 3.24Å; R424-R426 PolarHBondContact O-N 3.26Å | ||
| 427 | D | 91.7 | Very high | 92.5 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | trans | -63.5 | 146.6 | 173.4 | -73.4 | -28.3 | 0 | 0 | 0 | 111.5 | Y158 F200 K202 I203 T204 G429 | Y158-D427 HydrophobicContact CE1-CB 4.3Å; Y158-D427 WeakPolarHBondContact CE1-OD2 3.43Å; Y158-D427 WeakPolarHBondContact OH-CB 3.13Å; Y158-D427 PolarHBondContact OH-OD2 3.31Å; F200-D427 HydrophobicContact CB-CB 4.26Å; F200-D427 HydrophobicContact CD1-CB 4.18Å; K202-D427 VanDerWaalsContact CA-OD1 3.29Å; K202-D427 WeakPolarHBondContact CA-OD1 3.48Å; I203-D427 PolarHBondContact N-OD1 3.41Å; T204-D427 VanDerWaalsContact CB-OD1 3.29Å; T204-D427 WeakPolarHBondContact CB-OD1 3.31Å; T204-D427 WeakPolarHBondContact CG2-OD1 3.33Å; T204-D427 PolarHBondContact N-OD1 3.39Å; T204-D427 VanDerWaalsContact N-OD1 3.13Å; T204-D427 PolarHBondContact OG1-OD1 2.87Å; D427-G429 PolarHBondContact O-N 2.99Å | ||
| 428 | W | 92.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.8 | -172.7 | 175.8 | 21.8 | 0 | 0 | 0 | 110.1 | F200 I201 I203 V430 D499 F501 M502 Y548 F551 F552 | F200-W428 CarbonylContact C-O 3.57Å; F200-W428 VanDerWaalsContact CA-O 3.25Å; F200-W428 WeakPolarHBondContact CA-O 3.47Å; I201-W428 HydrophobicContact CB-CE3 4.47Å; I201-W428 HydrophobicContact CD1-CE3 4.08Å; I201-W428 HydrophobicContact CD1-CZ3 4.18Å; I201-W428 PolarHBondContact N-O 3.01Å; I201-W428 PolarHBondContact O-N 2.92Å; I203-W428 HydrophobicContact CG2-CB 4.16Å; W428-V430 HydrophobicContact CD2-CG1 3.53Å; W428-V430 HydrophobicContact CE3-CG1 4.05Å; W428-V430 HydrophobicContact CG-CG1 3.78Å; W428-V430 HydrophobicContact CH2-CG1 4.49Å; W428-V430 HydrophobicContact CZ2-CG1 4Å; W428-V430 PolarHBondContact O-N 3.35Å; W428-D499 PolarHBondContact NE1-OD2 3.1Å; W428-D499 VanDerWaalsContact NE1-OD2 3.08Å; W428-F501 HydrophobicContact CH2-CB 4.38Å; W428-F501 HydrophobicContact CZ2-CB 3.66Å; W428-M502 HydrophobicContact CH2-CE 4.11Å; W428-M502 HydrophobicContact CH2-SD 4.19Å; W428-M502 HydrophobicContact CZ2-CE 4.35Å; W428-M502 HydrophobicContact CZ3-CE 4.49Å; W428-Y548 HydrophobicContact CB-CE1 4.04Å; W428-Y548 AromaticContact CD1-CE1 3.81Å; W428-Y548 AromaticContact CD1-CZ 3.72Å; W428-Y548 AromaticContact CD2-CD1 3.8Å; W428-Y548 HydrophobicContact CD2-CD1 3.8Å; W428-Y548 AromaticContact CD2-CE1 3.63Å; W428-Y548 HydrophobicContact CD2-CE1 3.63Å; W428-Y548 HydrophobicContact CD2-CG 4.46Å; W428-Y548 AromaticContact CE2-CE1 3.95Å; W428-Y548 AromaticContact CE3-CD1 3.85Å; W428-Y548 HydrophobicContact CE3-CD1 3.85Å; W428-Y548 HydrophobicContact CE3-CE1 4.13Å; W428-Y548 HydrophobicContact CE3-CG 4.47Å; W428-Y548 HydrophobicContact CG-CD1 4.23Å; W428-Y548 AromaticContact CG-CE1 3.58Å; W428-Y548 HydrophobicContact CG-CE1 3.58Å; W428-Y548 AromaticContact CG-CZ 3.99Å; W428-Y548 HydrophobicContact CH2-CG 4.35Å; W428-Y548 HydrophobicContact CZ2-CD1 4.5Å; W428-Y548 HydrophobicContact CZ2-CD2 4.41Å; W428-Y548 HydrophobicContact CZ2-CG 4.36Å; W428-Y548 HydrophobicContact CZ3-CD1 4.2Å; W428-Y548 HydrophobicContact CZ3-CG 4.41Å; W428-Y548 AromaticContact NE1-CZ 3.75Å; W428-F551 HydrophobicContact CE3-CD1 4.36Å; W428-F551 HydrophobicContact CE3-CE1 4.28Å; W428-F552 HydrophobicContact CZ3-CD2 4.3Å; W428-F552 HydrophobicContact CZ3-CE2 4.49Å |
| 429 | G | 92 | Very high | 92.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 107 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D427 R432 | D427-G429 PolarHBondContact O-N 2.99Å; G429-R432 PolarHBondContact O-NH1 3.48Å; G429-R432 PolarHBondContact O-NH2 3.25Å; G429-R432 VanDerWaalsContact O-NH2 3.09Å |
| 430 | V | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -99.3 | -6.1 | -172 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | F148 W199 I201 W428 F498 D499 M502 | F148-V430 HydrophobicContact CE2-CG2 3.93Å; F148-V430 HydrophobicContact CZ-CG2 4.45Å; W199-V430 HydrophobicContact CB-CG2 4.02Å; W199-V430 WeakPolarHBondContact O-CG2 3.13Å; W199-V430 PolarHBondContact O-N 3.39Å; I201-V430 HydrophobicContact CD1-CG1 3.87Å; I201-V430 HydrophobicContact CG1-CG1 3.9Å; I201-V430 HydrophobicContact CG1-CG2 4.31Å; W428-V430 HydrophobicContact CD2-CG1 3.53Å; W428-V430 HydrophobicContact CE3-CG1 4.05Å; W428-V430 HydrophobicContact CG-CG1 3.78Å; W428-V430 HydrophobicContact CH2-CG1 4.49Å; W428-V430 HydrophobicContact CZ2-CG1 4Å; W428-V430 PolarHBondContact O-N 3.35Å; V430-F498 HydrophobicContact CB-CD1 4.2Å; V430-F498 HydrophobicContact CG2-CD1 4.16Å; V430-F498 HydrophobicContact CG2-CE1 4.22Å; V430-F498 CarbonylContact O-C 3.57Å; V430-F498 WeakPolarHBondContact O-CA 3.39Å; V430-D499 PolarHBondContact O-N 2.82Å; V430-M502 HydrophobicContact CB-CE 3.73Å; V430-M502 HydrophobicContact CG1-CE 3.48Å; V430-M502 VanDerWaalsContact CG1-CE 3.48Å; V430-M502 HydrophobicContact CG2-CE 4.26Å | ||
| 431 | S | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.1 | 178.9 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | W199 | W199-S431 WeakPolarHBondContact CB-OG 3.26Å; W199-S431 PolarHBondContact N-OG 3.28Å |
| 432 | R | 89.9 | Confident | 93.3 | Very high | 15 Ų | 15 | 17.7 Ų | 17.7 | 6% | 0.057 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.4 | 171.1 | -58.8 | -65.1 | 173.8 | -93.4 | 0.7 | 109.5 | V173 Q178 G429 R434 D496 T497 D499 | V173-R432 WeakPolarHBondContact O-CD 3.48Å; V173-R432 PolarHBondContact O-NE 3.5Å; Q178-R432 VanDerWaalsContact OE1-NH2 3.16Å; G429-R432 PolarHBondContact O-NH1 3.48Å; G429-R432 PolarHBondContact O-NH2 3.25Å; G429-R432 VanDerWaalsContact O-NH2 3.09Å; R432-R434 PolarHBondContact O-N 2.9Å; R432-D496 WeakPolarHBondContact O-CA 3.33Å; R432-T497 PolarHBondContact N-O 2.93Å; R432-T497 PolarHBondContact O-N 3.43Å; R432-T497 PolarHBondContact O-OG1 2.73Å; R432-D499 HydrophobicContact CG-CB 4.27Å; R432-D499 IonicContact CZ-OD1 3.59Å; R432-D499 IonicContact CZ-OD2 3.77Å; R432-D499 IonicContact NE-OD1 3.74Å; R432-D499 PolarHBondContact NE-OD1 2.85Å; R432-D499 IonicContact NH2-OD1 3.37Å; R432-D499 PolarHBondContact NH2-OD1 3.48Å; R432-D499 IonicContact NH2-OD2 2.73Å; R432-D499 PolarHBondContact NH2-OD2 2.84Å |
| 433 | Q | 90.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 16.3 Ų | 16.3 | 12% | 0.117 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -87 | 46.8 | 179.1 | -64.2 | 71.5 | 39.5 | 0 | 0 | 110.5 | D496 | Q433-D496 PolarHBondContact NE2-OD2 2.88Š|
| 434 | R | 89.9 | Confident | 94.2 | Very high | 48 Ų | 48 | 16.3 Ų | 16.3 | 18% | 0.181 | 7% | 0.074 | C | C | . | . | trans | -127.1 | 162.8 | -173.8 | -58.3 | -57.5 | -85 | -153.7 | -11 | 110.1 | L92 E95 D170 Q171 T172 R432 T497 | L92-R434 HydrophobicContact CD2-CG 4.12Å; L92-R434 VanDerWaalsContact CD2-CZ 3.42Å; E95-R434 WeakPolarHBondContact OE1-CB 3.35Å; E95-R434 IonicContact OE2-CZ 3.2Å; E95-R434 VanDerWaalsContact OE2-CZ 3.31Å; E95-R434 IonicContact OE2-NE 2.91Å; E95-R434 PolarHBondContact OE2-NE 3.31Å; E95-R434 IonicContact OE2-NH2 2.79Å; E95-R434 PolarHBondContact OE2-NH2 3.31Å; D170-R434 PolarHBondContact O-NH1 2.98Å; D170-R434 PolarHBondContact O-NH2 3.47Å; Q171-R434 PolarHBondContact O-NH1 3.5Å; T172-R434 HydrophobicContact CG2-CG 4.4Å; T172-R434 WeakPolarHBondContact OG1-CG 3.4Å; R432-R434 PolarHBondContact O-N 2.9Å; R434-T497 VanDerWaalsContact O-CG2 3.27Å; R434-T497 WeakPolarHBondContact O-CG2 3.47Å; R434-T497 PolarHBondContact O-OG1 3.26Å | ||
| 435 | Y | 94 | Very high | 94.6 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -89.7 | -47.8 | -173.6 | 160.1 | -106.6 | 0 | 0 | 0 | 111.8 | E95 P105 G437 L462 P463 V466 M468 S473 P474 I475 | E95-Y435 WeakPolarHBondContact OE1-CA 3.45Å; E95-Y435 PolarHBondContact OE1-N 3.17Å; P105-Y435 HydrophobicContact CB-CE1 4.38Å; P105-Y435 HydrophobicContact CG-CD1 4.02Å; P105-Y435 HydrophobicContact CG-CE1 3.8Å; Y435-G437 VanDerWaalsContact C-N 3.26Å; Y435-G437 PolarHBondContact O-N 3.29Å; Y435-L462 HydrophobicContact CD2-CD1 3.9Å; Y435-L462 HydrophobicContact CD2-CG 4.4Å; Y435-L462 HydrophobicContact CE2-CD1 3.72Å; Y435-L462 HydrophobicContact CE2-CD2 4.02Å; Y435-L462 HydrophobicContact CE2-CG 3.78Å; Y435-L462 VanDerWaalsContact O-CD1 3.31Å; Y435-L462 WeakPolarHBondContact O-CD1 3.33Å; Y435-L462 WeakPolarHBondContact O-CD2 3.33Å; Y435-P463 WeakPolarHBondContact CE2-O 3.28Å; Y435-P463 PolarHBondContact OH-O 3.31Å; Y435-V466 HydrophobicContact CD1-CG2 4.4Å; Y435-V466 HydrophobicContact CE1-CG2 3.59Å; Y435-V466 HydrophobicContact CE2-CG1 3.86Å; Y435-V466 HydrophobicContact CE2-CG2 4.14Å; Y435-V466 VanDerWaalsContact CZ-CG2 3.44Å; Y435-V466 WeakPolarHBondContact OH-CG2 3.42Å; Y435-M468 HydrophobicContact CD1-CE 4.09Å; Y435-M468 HydrophobicContact CD1-SD 3.64Å; Y435-M468 HydrophobicContact CE1-SD 4.13Å; Y435-M468 HydrophobicContact CG-SD 4.26Å; Y435-S473 WeakPolarHBondContact CA-OG 3.3Å; Y435-S473 WeakPolarHBondContact CB-OG 3.25Å; Y435-P474 HydrophobicContact CD2-CB 4.35Å; Y435-P474 HydrophobicContact CD2-CG 4.23Å; Y435-P474 HydrophobicContact CG-CG 4.22Å; Y435-I475 HydrophobicContact CD2-CG2 4.24Å; Y435-I475 HydrophobicContact CE2-CG2 4.38Å |
| 436 | W | 95.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -83.2 | 71.5 | -171.1 | -161.2 | -117.3 | 0 | 0 | 0 | 111.5 | A89 F90 G91 A94 E95 P105 A106 C136 L462 E464 | A89-W436 PolarHBondContact O-NE1 3.12Å; F90-W436 VanDerWaalsContact CD1-C 3.49Å; F90-W436 AromaticContact CD1-CD1 3.98Å; F90-W436 AromaticContact CD1-CD2 3.97Å; F90-W436 HydrophobicContact CD1-CD2 3.97Å; F90-W436 AromaticContact CD1-CE2 3.93Å; F90-W436 HydrophobicContact CD1-CG 4.03Å; F90-W436 HydrophobicContact CD1-CZ2 4.47Å; F90-W436 AromaticContact CD1-NE1 3.92Å; F90-W436 HydrophobicContact CE1-CD2 4.22Å; F90-W436 HydrophobicContact CE1-CE3 4.4Å; F90-W436 HydrophobicContact CE1-CZ2 4.44Å; G91-W436 PolarHBondContact N-O 3.42Å; A94-W436 HydrophobicContact CB-CG 4.4Å; E95-W436 HydrophobicContact CG-CB 3.56Å; E95-W436 PolarHBondContact OE1-N 3.14Å; P105-W436 HydrophobicContact CB-CB 4.11Å; P105-W436 HydrophobicContact CB-CD2 3.34Å; P105-W436 HydrophobicContact CB-CE3 3.59Å; P105-W436 HydrophobicContact CB-CG 3.57Å; P105-W436 HydrophobicContact CB-CZ2 4.39Å; P105-W436 HydrophobicContact CB-CZ3 4.22Å; P105-W436 HydrophobicContact CG-CB 4.37Å; P105-W436 HydrophobicContact CG-CD2 4.31Å; P105-W436 HydrophobicContact CG-CE3 4.31Å; P105-W436 HydrophobicContact CG-CG 4.34Å; A106-W436 HydrophobicContact CB-CH2 3.34Å; A106-W436 HydrophobicContact CB-CZ2 4.17Å; A106-W436 HydrophobicContact CB-CZ3 3.8Å; C136-W436 HydrophobicContact CB-CZ2 4.01Å; W436-L462 HydrophobicContact CE3-CD2 3.68Å; W436-L462 HydrophobicContact CZ3-CD2 3.86Å; W436-E464 HydrophobicContact CH2-CG 4.4Å; W436-E464 HydrophobicContact CZ3-CG 4.45Å |
| 437 | G | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -159.3 | 163.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F90 Y435 P439 T497 | F90-G437 VanDerWaalsContact CD1-CA 3.47Å; Y435-G437 VanDerWaalsContact C-N 3.26Å; Y435-G437 PolarHBondContact O-N 3.29Å; G437-P439 WeakPolarHBondContact O-CD 3.29Å; G437-T497 VanDerWaalsContact O-CG2 3.24Å; G437-T497 WeakPolarHBondContact O-CG2 3.5Å |
| 438 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 128.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F90 Y141 E144 I440 T497 F498 | F90-A438 HydrophobicContact CD2-CB 4.47Å; F90-A438 HydrophobicContact CE2-CB 3.85Å; Y141-A438 HydrophobicContact CD2-CB 4.19Å; Y141-A438 HydrophobicContact CG-CB 3.99Å; E144-A438 VanDerWaalsContact OE1-CB 3.3Å; E144-A438 WeakPolarHBondContact OE1-CB 3.43Å; A438-I440 PolarHBondContact O-N 3.12Å; A438-T497 CarbonylContact O-C 3.6Å; A438-T497 VanDerWaalsContact O-CA 3.27Å; A438-T497 WeakPolarHBondContact O-CA 3.33Å; A438-T497 WeakPolarHBondContact O-CB 3.17Å; A438-F498 HydrophobicContact CB-CD2 3.87Å; A438-F498 PolarHBondContact O-N 3.48Å |
| 439 | P | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -60.8 | 137.1 | 177.4 | -28 | 36.7 | 0 | 0 | 0 | 112.3 | Q145 G437 V460 L462 W481 | Q145-P439 PolarHBondContact NE2-O 3.44Å; G437-P439 WeakPolarHBondContact O-CD 3.29Å; P439-V460 HydrophobicContact CB-CB 4.13Å; P439-V460 HydrophobicContact CB-CG1 3.76Å; P439-V460 HydrophobicContact CG-CG1 4.3Å; P439-V460 WeakPolarHBondContact CG-O 3.32Å; P439-L462 HydrophobicContact CG-CB 3.99Å; P439-L462 HydrophobicContact CG-CD1 3.97Å; P439-W481 HydrophobicContact CB-CH2 4.13Å; P439-W481 HydrophobicContact CG-CH2 4.29Å; P439-W481 HydrophobicContact CG-CZ2 4.28Å |
| 440 | I | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 124.5 | 176.3 | -64.6 | 178.9 | 0 | 0 | 0 | 109 | F148 W199 A438 M442 E494 D496 F498 | F148-I440 HydrophobicContact CE1-CG2 3.9Å; F148-I440 HydrophobicContact CZ-CG2 4.28Å; W199-I440 HydrophobicContact CG-CG2 4.38Å; A438-I440 PolarHBondContact O-N 3.12Å; I440-M442 HydrophobicContact CG2-CB 4.34Å; I440-M442 HydrophobicContact CG2-CG 3.83Å; I440-M442 PolarHBondContact O-N 2.98Å; I440-E494 HydrophobicContact CB-CB 4.32Å; I440-E494 HydrophobicContact CB-CG 3.94Å; I440-E494 HydrophobicContact CG2-CB 4.5Å; I440-E494 HydrophobicContact CG2-CG 4.17Å; I440-D496 HydrophobicContact CD1-CB 3.92Å; I440-D496 WeakPolarHBondContact CG1-O 3.45Å; I440-D496 PolarHBondContact N-O 3.5Å; I440-F498 HydrophobicContact CB-CE1 4.39Å; I440-F498 HydrophobicContact CB-CZ 4.48Å; I440-F498 HydrophobicContact CD1-CD1 4.22Å; I440-F498 HydrophobicContact CD1-CE1 4.34Å; I440-F498 HydrophobicContact CG1-CD1 3.69Å; I440-F498 HydrophobicContact CG1-CE1 3.69Å; I440-F498 HydrophobicContact CG1-CG 4.18Å; I440-F498 HydrophobicContact CG1-CZ 4.17Å; I440-F498 HydrophobicContact CG2-CE1 4.34Å; I440-F498 HydrophobicContact CG2-CZ 4.47Å |
| 441 | P | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -84.4 | 58.2 | -171 | 36.9 | -38.9 | 0 | 0 | 0 | 111.9 | Q145 F148 T149 T453 L458 F498 | Q145-P441 HydrophobicContact CB-CB 4Å; Q145-P441 HydrophobicContact CB-CG 3.89Å; Q145-P441 HydrophobicContact CG-CB 4.24Å; Q145-P441 HydrophobicContact CG-CG 4.19Å; Q145-P441 WeakPolarHBondContact O-CG 3.4Å; F148-P441 HydrophobicContact CB-CG 4.27Å; F148-P441 HydrophobicContact CD1-CG 3.91Å; F148-P441 HydrophobicContact CG-CG 4.49Å; T149-P441 HydrophobicContact CG2-CB 4.02Å; T149-P441 HydrophobicContact CG2-CG 3.84Å; P441-T453 PolarHBondContact O-N 2.79Å; P441-T453 PolarHBondContact O-OG1 2.96Å; P441-L458 HydrophobicContact CB-CD2 3.83Å; P441-F498 HydrophobicContact CG-CZ 4.5Å | ||
| 442 | M | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.1 | 175.1 | -59.6 | -60.1 | -67.2 | 0 | 0 | 110 | F148 Y152 W199 I440 V450 M451 P452 T453 E494 | F148-M442 HydrophobicContact CE1-CG 4.02Å; F148-M442 HydrophobicContact CE1-SD 4.13Å; Y152-M442 HydrophobicContact CD1-CE 4.38Å; Y152-M442 HydrophobicContact CD2-CE 3.65Å; Y152-M442 HydrophobicContact CD2-SD 4.33Å; Y152-M442 HydrophobicContact CE1-CE 4.29Å; Y152-M442 HydrophobicContact CE2-CE 3.52Å; Y152-M442 HydrophobicContact CG-CE 4.08Å; Y152-M442 HydrophobicContact CG-SD 4.48Å; W199-M442 HydrophobicContact CD2-CG 4.45Å; W199-M442 HydrophobicContact CH2-CE 3.44Å; W199-M442 VanDerWaalsContact CH2-CE 3.44Å; W199-M442 HydrophobicContact CH2-CG 4.06Å; W199-M442 HydrophobicContact CH2-SD 4.39Å; W199-M442 HydrophobicContact CZ2-CB 3.83Å; W199-M442 HydrophobicContact CZ2-CE 3.87Å; W199-M442 HydrophobicContact CZ2-CG 3.57Å; W199-M442 HydrophobicContact CZ2-SD 4.47Å; W199-M442 HydrophobicContact CZ3-CE 4.09Å; I440-M442 HydrophobicContact CG2-CB 4.34Å; I440-M442 HydrophobicContact CG2-CG 3.83Å; I440-M442 PolarHBondContact O-N 2.98Å; M442-V450 HydrophobicContact CE-CG1 4.09Å; M442-M451 VanDerWaalsContact CE-C 3.44Å; M442-P452 HydrophobicContact CE-CG 4.17Å; M442-P452 HydrophobicContact SD-CB 4.11Å; M442-P452 HydrophobicContact SD-CG 4.21Å; M442-T453 PolarHBondContact N-OG1 3.4Å; M442-E494 HydrophobicContact CB-CB 4.29Å; M442-E494 PolarHBondContact O-N 3.21Å |
| 443 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.7 | 177.8 | -73.1 | 0 | 0 | 0 | 0 | 110.2 | V450 M451 T484 V486 L492 R493 | V443-V450 WeakPolarHBondContact O-CA 3.32Å; V443-M451 HydrophobicContact CG2-CG 3.66Å; V443-M451 VanDerWaalsContact CG2-O 3.3Å; V443-M451 WeakPolarHBondContact CG2-O 3.35Å; V443-M451 PolarHBondContact N-O 3.35Å; V443-M451 PolarHBondContact O-N 3.23Å; V443-T484 HydrophobicContact CG1-CG2 4.11Å; V443-V486 HydrophobicContact CG1-CG2 4.42Å; V443-V486 HydrophobicContact CG2-CG2 4.19Å; V443-L492 CarbonylContact C-O 3.58Å; V443-L492 VanDerWaalsContact CA-O 3.32Å; V443-L492 WeakPolarHBondContact CA-O 3.09Å; V443-R493 HydrophobicContact CG1-CG 4.1Å |
| 444 | T | 98 | Very high | 97 | Very high | 52 Ų | 52 | 30.7 Ų | 30.7 | 32% | 0.319 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.6 | 171.3 | -51.2 | 0 | 0 | 0 | 0 | 108.2 | T449 V450 A491 L492 | T444-T449 WeakPolarHBondContact CA-O 3.48Å; T444-V450 HydrophobicContact CG2-CG2 4.2Å; T444-A491 CarbonylContact O-C 3.54Å; T444-A491 VanDerWaalsContact O-CA 3.27Å; T444-A491 WeakPolarHBondContact O-CA 3.29Å; T444-L492 PolarHBondContact N-O 3.45Å; T444-L492 PolarHBondContact O-N 3.29Å |
| 445 | L | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 161.2 | 175.3 | -56.6 | -176.7 | 0 | 0 | 0 | 110.4 | D447 G448 T449 M451 V486 M489 A491 | L445-D447 WeakPolarHBondContact CB-OD1 3.44Å; L445-D447 PolarHBondContact O-N 3.44Å; L445-D447 VanDerWaalsContact O-N 3.14Å; L445-G448 PolarHBondContact O-N 3.19Å; L445-T449 PolarHBondContact N-O 3.36Å; L445-M451 HydrophobicContact CD1-SD 4.01Å; L445-M451 HydrophobicContact CD2-SD 4.25Å; L445-M451 HydrophobicContact CG-SD 4.28Å; L445-V486 HydrophobicContact CD2-CB 3.79Å; L445-V486 HydrophobicContact CD2-CG1 4.04Å; L445-M489 HydrophobicContact CD1-CE 4.03Å; L445-A491 HydrophobicContact CD2-CB 3.87Å |
| 446 | E | 95.3 | Very high | 97.5 | Very high | 155 Ų | 155 | 39.1 Ų | 39.1 | 72% | 0.724 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -28.4 | 176.1 | -173 | 174.5 | -140.5 | 0 | 0 | 113.4 | G448 P490 | E446-G448 PolarHBondContact O-N 2.97Å; E446-P490 PolarHBondContact N-O 3.3Å; E446-P490 VanDerWaalsContact N-O 3.11Å |
| 447 | D | 95.2 | Very high | 97.6 | Very high | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.9 | 176.8 | 71 | 8 | 0 | 0 | 0 | 114.5 | L445 T449 | L445-D447 WeakPolarHBondContact CB-OD1 3.44Å; L445-D447 PolarHBondContact O-N 3.44Å; L445-D447 VanDerWaalsContact O-N 3.14Å; D447-T449 WeakPolarHBondContact OD1-CB 3.43Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 PolarHBondContact OD1-OG1 3.12Å; D447-T449 PolarHBondContact OD2-OG1 3.48Å |
| 448 | G | 95.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 89.4 | -3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L445 E446 V450 | L445-G448 PolarHBondContact O-N 3.19Å; E446-G448 PolarHBondContact O-N 2.97Å; G448-V450 PolarHBondContact O-N 2.94Å |
| 449 | T | 97 | Very high | 97.7 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | trans | -66.9 | 128.4 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | T444 L445 D447 | T444-T449 WeakPolarHBondContact CA-O 3.48Å; L445-T449 PolarHBondContact N-O 3.36Å; D447-T449 WeakPolarHBondContact OD1-CB 3.43Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 PolarHBondContact OD1-OG1 3.12Å; D447-T449 PolarHBondContact OD2-OG1 3.48Å | ||
| 450 | V | 97.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.1 | 173.6 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | W199 M442 V443 T444 G448 | W199-V450 HydrophobicContact CH2-CG1 3.7Å; W199-V450 HydrophobicContact CZ2-CG1 3.71Å; M442-V450 HydrophobicContact CE-CG1 4.09Å; V443-V450 WeakPolarHBondContact O-CA 3.32Å; T444-V450 HydrophobicContact CG2-CG2 4.2Å; G448-V450 PolarHBondContact O-N 2.94Å |
| 451 | M | 97.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 48 Ų | 48 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 162.3 | 179.6 | 65.4 | -178.8 | -68.7 | 0 | 0 | 111.6 | M442 V443 L445 V486 | M442-M451 VanDerWaalsContact CE-C 3.44Å; V443-M451 HydrophobicContact CG2-CG 3.66Å; V443-M451 VanDerWaalsContact CG2-O 3.3Å; V443-M451 WeakPolarHBondContact CG2-O 3.35Å; V443-M451 PolarHBondContact N-O 3.35Å; V443-M451 PolarHBondContact O-N 3.23Å; L445-M451 HydrophobicContact CD1-SD 4.01Å; L445-M451 HydrophobicContact CD2-SD 4.25Å; L445-M451 HydrophobicContact CG-SD 4.28Å; M451-V486 HydrophobicContact CE-CG1 4.26Å; M451-V486 HydrophobicContact SD-CG1 3.99Å |
| 452 | P | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 147.6 | 173.1 | -20.7 | 33.3 | 0 | 0 | 0 | 112 | T149 Y152 M442 | T149-P452 HydrophobicContact CG2-CB 3.81Å; Y152-P452 HydrophobicContact CD1-CG 3.33Å; Y152-P452 HydrophobicContact CE1-CG 3.76Å; Y152-P452 HydrophobicContact CG-CG 4.01Å; M442-P452 HydrophobicContact CE-CG 4.17Å; M442-P452 HydrophobicContact SD-CB 4.11Å; M442-P452 HydrophobicContact SD-CG 4.21Å |
| 453 | T | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 131.1 | 168.4 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | P441 M442 Q457 L458 V460 | P441-T453 PolarHBondContact O-N 2.79Å; P441-T453 PolarHBondContact O-OG1 2.96Å; M442-T453 PolarHBondContact N-OG1 3.4Å; T453-Q457 HydrophobicContact CG2-CB 3.65Å; T453-L458 HydrophobicContact CG2-CD2 4.14Å; T453-V460 HydrophobicContact CG2-CG2 3.88Å |
| 454 | P | 98.2 | Very high | 97.5 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.7 | 176.9 | -27.7 | 36.9 | 0 | 0 | 0 | 113.6 | D456 Q457 V486 | P454-D456 VanDerWaalsContact CB-OD1 3.28Å; P454-D456 WeakPolarHBondContact CB-OD1 3.09Å; P454-D456 PolarHBondContact O-N 2.73Å; P454-Q457 PolarHBondContact O-N 3.43Å; P454-V486 HydrophobicContact CG-CG1 3.8Å; P454-V486 HydrophobicContact CG-CG2 4.2Å |
| 455 | D | 96.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -60.5 | -30 | -174.9 | -67.7 | -32.1 | 0 | 0 | 0 | 112.9 | K146 Q457 L458 | K146-D455 WeakPolarHBondContact CE-OD1 3.24Å; K146-D455 IonicContact NZ-OD1 3.19Å; D455-Q457 PolarHBondContact O-N 2.64Å; D455-L458 PolarHBondContact O-N 2.77Å |
| 456 | D | 96.9 | Very high | 97.2 | Very high | 139 Ų | 139 | 59.1 Ų | 59.1 | 74% | 0.743 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -77 | -5.8 | 178 | 66.4 | -13.3 | 0 | 0 | 0 | 114.1 | P454 | P454-D456 VanDerWaalsContact CB-OD1 3.28Å; P454-D456 WeakPolarHBondContact CB-OD1 3.09Å; P454-D456 PolarHBondContact O-N 2.73Å |
| 457 | Q | 98.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -109.7 | 6.3 | 176.3 | -62.8 | -174.5 | 35.5 | 0 | 0 | 112.8 | T453 P454 D455 P459 T484 T485 | T453-Q457 HydrophobicContact CG2-CB 3.65Å; P454-Q457 PolarHBondContact O-N 3.43Å; D455-Q457 PolarHBondContact O-N 2.64Å; Q457-P459 CarbonylContact O-C 3.58Å; Q457-T484 PolarHBondContact OE1-OG1 3.22Å; Q457-T485 PolarHBondContact NE2-O 2.86Å |
| 458 | L | 98.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | trans | -92.1 | 141.3 | 173.9 | -66.7 | 178.9 | 0 | 0 | 0 | 111.5 | Q145 K146 T149 P441 T453 D455 V460 | Q145-L458 HydrophobicContact CB-CD2 4.12Å; K146-L458 HydrophobicContact CB-CD1 4.13Å; K146-L458 HydrophobicContact CD-CD1 3.7Å; T149-L458 HydrophobicContact CG2-CD1 4.49Å; P441-L458 HydrophobicContact CB-CD2 3.83Å; T453-L458 HydrophobicContact CG2-CD2 4.14Å; D455-L458 PolarHBondContact O-N 2.77Å; L458-V460 HydrophobicContact CD2-CG2 4.27Å | ||
| 459 | P | 98.7 | Very high | 95.9 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | S | Bend | cis | -72.4 | 149.6 | -4.1 | 25 | -29.6 | 0 | 0 | 0 | 113.9 | P138 Y141 R142 Q145 Q457 I461 | P138-P459 HydrophobicContact CB-CG 4.12Å; Y141-P459 HydrophobicContact CE2-CB 4.02Å; R142-P459 HydrophobicContact CB-CB 3.69Å; R142-P459 HydrophobicContact CB-CG 4.04Å; Q145-P459 VanDerWaalsContact OE1-CA 3.25Å; Q457-P459 CarbonylContact O-C 3.58Å; P459-I461 HydrophobicContact CB-CG1 4.34Å; P459-I461 HydrophobicContact CG-CD1 4.45Å; P459-I461 HydrophobicContact CG-CG1 3.92Å; P459-I461 PolarHBondContact O-N 3.35Å; P459-I461 VanDerWaalsContact O-N 3.13Å |
| 460 | V | 98.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | trans | -75.5 | 99.9 | 160.9 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | Q145 P439 T453 L458 W481 | Q145-V460 PolarHBondContact NE2-O 3.31Å; P439-V460 HydrophobicContact CB-CB 4.13Å; P439-V460 HydrophobicContact CB-CG1 3.76Å; P439-V460 HydrophobicContact CG-CG1 4.3Å; P439-V460 WeakPolarHBondContact CG-O 3.32Å; T453-V460 HydrophobicContact CG2-CG2 3.88Å; L458-V460 HydrophobicContact CD2-CG2 4.27Å; V460-W481 HydrophobicContact CG1-CH2 4.09Å; V460-W481 HydrophobicContact CG1-CZ2 4.1Å | ||
| 461 | I | 98.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 126.6 | -172.6 | -63.8 | 174.3 | 0 | 0 | 0 | 110.8 | Y141 P459 | Y141-I461 WeakPolarHBondContact OH-CA 3.36Å; P459-I461 HydrophobicContact CB-CG1 4.34Å; P459-I461 HydrophobicContact CG-CD1 4.45Å; P459-I461 HydrophobicContact CG-CG1 3.92Å; P459-I461 PolarHBondContact O-N 3.35Å; P459-I461 VanDerWaalsContact O-N 3.13Å |
| 462 | L | 98.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 124.8 | 167.5 | -169.3 | 73.9 | 0 | 0 | 0 | 109.2 | F90 Y141 Y435 W436 P439 E464 I475 | F90-L462 HydrophobicContact CE1-CD2 3.87Å; F90-L462 HydrophobicContact CZ-CD2 4.46Å; Y141-L462 PolarHBondContact OH-N 3.18Å; Y435-L462 HydrophobicContact CD2-CD1 3.9Å; Y435-L462 HydrophobicContact CD2-CG 4.4Å; Y435-L462 HydrophobicContact CE2-CD1 3.72Å; Y435-L462 HydrophobicContact CE2-CD2 4.02Å; Y435-L462 HydrophobicContact CE2-CG 3.78Å; Y435-L462 VanDerWaalsContact O-CD1 3.31Å; Y435-L462 WeakPolarHBondContact O-CD1 3.33Å; Y435-L462 WeakPolarHBondContact O-CD2 3.33Å; W436-L462 HydrophobicContact CE3-CD2 3.68Å; W436-L462 HydrophobicContact CZ3-CD2 3.86Å; P439-L462 HydrophobicContact CG-CB 3.99Å; P439-L462 HydrophobicContact CG-CD1 3.97Å; L462-E464 PolarHBondContact O-N 3.42Å; L462-I475 HydrophobicContact CD1-CD1 4.2Å; L462-I475 HydrophobicContact CD1-CG2 4.27Å |
| 463 | P | 97.2 | Very high | 92.5 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 122.4 | 179 | 29 | -30.2 | 0 | 0 | 0 | 108.7 | Y435 V466 I475 | Y435-P463 WeakPolarHBondContact CE2-O 3.28Å; Y435-P463 PolarHBondContact OH-O 3.31Å; P463-V466 HydrophobicContact CB-CG1 4.46Å; P463-V466 HydrophobicContact CG-CG1 4.26Å; P463-V466 WeakPolarHBondContact O-CG1 3.01Å; P463-I475 HydrophobicContact CG-CG2 3.64Å |
| 464 | E | 97 | Very high | 92.2 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -84.8 | -25.8 | -177.5 | -68.4 | -167.6 | 157.1 | 0 | 0 | 114 | A106 Y110 W436 L462 V466 | A106-E464 HydrophobicContact CB-CB 3.65Å; A106-E464 HydrophobicContact CB-CG 3.84Å; Y110-E464 PolarHBondContact OH-OE1 2.76Å; W436-E464 HydrophobicContact CH2-CG 4.4Å; W436-E464 HydrophobicContact CZ3-CG 4.45Å; L462-E464 PolarHBondContact O-N 3.42Å; E464-V466 PolarHBondContact O-N 3.11Å |
| 465 | D | 95.2 | Very high | 92 | Very high | 161 Ų | 161 | 58 Ų | 58 | 86% | 0.861 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -85.2 | 89.3 | 176.4 | -172.4 | 13.8 | 0 | 0 | 0 | 109.8 | ||
| 466 | V | 93.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | trans | -134.3 | 155.7 | -177.5 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | A104 Y435 P463 E464 M468 P474 | A104-V466 HydrophobicContact CB-CG2 4.44Å; Y435-V466 HydrophobicContact CD1-CG2 4.4Å; Y435-V466 HydrophobicContact CE1-CG2 3.59Å; Y435-V466 HydrophobicContact CE2-CG1 3.86Å; Y435-V466 HydrophobicContact CE2-CG2 4.14Å; Y435-V466 VanDerWaalsContact CZ-CG2 3.44Å; Y435-V466 WeakPolarHBondContact OH-CG2 3.42Å; P463-V466 HydrophobicContact CB-CG1 4.46Å; P463-V466 HydrophobicContact CG-CG1 4.26Å; P463-V466 WeakPolarHBondContact O-CG1 3.01Å; E464-V466 PolarHBondContact O-N 3.11Å; V466-M468 HydrophobicContact CG2-SD 4.16Å; V466-P474 HydrophobicContact CB-CB 3.93Å; V466-P474 HydrophobicContact CB-CG 3.93Å; V466-P474 HydrophobicContact CG1-CB 3.87Å; V466-P474 HydrophobicContact CG1-CG 4.33Å; V466-P474 HydrophobicContact CG2-CG 4.13Å | ||
| 467 | V | 90.4 | Very high | 91.3 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 79% | 0.788 | 31% | 0.309 | S | S | * | . | trans | -105.8 | 120.9 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 468 | M | 87 | Confident | 90.9 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | trans | -87.6 | 122.6 | 178.4 | -61.5 | -66.8 | -71.6 | 0 | 0 | 110 | E95 A98 V99 P105 Y435 V466 P474 | E95-M468 HydrophobicContact CB-CE 4.24Å; E95-M468 HydrophobicContact CG-CE 4.05Å; A98-M468 HydrophobicContact CB-CG 4.27Å; V99-M468 HydrophobicContact CG2-CB 4.14Å; P105-M468 HydrophobicContact CG-CE 4.4Å; P105-M468 HydrophobicContact CG-CG 4.32Å; P105-M468 HydrophobicContact CG-SD 4.24Å; Y435-M468 HydrophobicContact CD1-CE 4.09Å; Y435-M468 HydrophobicContact CD1-SD 3.64Å; Y435-M468 HydrophobicContact CE1-SD 4.13Å; Y435-M468 HydrophobicContact CG-SD 4.26Å; V466-M468 HydrophobicContact CG2-SD 4.16Å; M468-P474 HydrophobicContact SD-CG 3.59Å; M468-P474 VanDerWaalsContact SD-CG 3.59Å | ||
| 469 | D | 82.3 | Confident | 90.5 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | trans | -90.5 | -9.4 | 172.9 | 71 | 3.2 | 0 | 0 | 0 | 113.3 | I471 T472 | D469-I471 VanDerWaalsContact C-N 3.27Å; D469-I471 PolarHBondContact O-N 2.85Å; D469-I471 PolarHBondContact OD1-N 3.42Å; D469-T472 PolarHBondContact OD1-N 2.55Å | ||
| 470 | G | 76.1 | Confident | 90.4 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 78.6 | -0.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 471 | I | 76 | Confident | 90.3 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 59% | 0.59 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -112.5 | -52.3 | -177.3 | -55.7 | 174.8 | 0 | 0 | 0 | 110.2 | Q171 D469 | Q171-I471 PolarHBondContact OE1-O 2.88Å; D469-I471 VanDerWaalsContact C-N 3.27Å; D469-I471 PolarHBondContact O-N 2.85Å; D469-I471 PolarHBondContact OD1-N 3.42Å |
| 472 | T | 80.1 | Confident | 90.2 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -120.8 | 138.1 | -172.3 | -44.7 | 0 | 0 | 0 | 0 | 110.2 | D469 K476 A477 | D469-T472 PolarHBondContact OD1-N 2.55Å; T472-K476 HydrophobicContact CG2-CB 4Å; T472-A477 HydrophobicContact CG2-CB 4.32Å |
| 473 | S | 87.7 | Confident | 90.2 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | trans | -54.2 | 129.7 | 169.7 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | Y435 I475 K476 A477 | Y435-S473 WeakPolarHBondContact CA-OG 3.3Å; Y435-S473 WeakPolarHBondContact CB-OG 3.25Å; S473-I475 PolarHBondContact O-N 2.9Å; S473-I475 WeakPolarHBondContact OG-CG1 3.2Å; S473-K476 WeakPolarHBondContact O-CA 3.18Å; S473-K476 WeakPolarHBondContact O-CB 3.13Å; S473-K476 PolarHBondContact O-N 3.2Å; S473-A477 PolarHBondContact O-N 2.89Å | ||
| 474 | P | 91.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.5 | -37 | 179.5 | -31.7 | 38.5 | 0 | 0 | 0 | 114.1 | Y435 V466 M468 K476 A477 D478 | Y435-P474 HydrophobicContact CD2-CB 4.35Å; Y435-P474 HydrophobicContact CD2-CG 4.23Å; Y435-P474 HydrophobicContact CG-CG 4.22Å; V466-P474 HydrophobicContact CB-CB 3.93Å; V466-P474 HydrophobicContact CB-CG 3.93Å; V466-P474 HydrophobicContact CG1-CB 3.87Å; V466-P474 HydrophobicContact CG1-CG 4.33Å; V466-P474 HydrophobicContact CG2-CG 4.13Å; M468-P474 HydrophobicContact SD-CG 3.59Å; M468-P474 VanDerWaalsContact SD-CG 3.59Å; P474-K476 PolarHBondContact O-N 3.03Å; P474-A477 PolarHBondContact O-N 3.35Å; P474-D478 PolarHBondContact O-N 2.79Å |
| 475 | I | 94.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.2 | -13.2 | 177.4 | 60.4 | 165 | 0 | 0 | 0 | 113.8 | Y435 L462 P463 S473 W481 T495 T497 | Y435-I475 HydrophobicContact CD2-CG2 4.24Å; Y435-I475 HydrophobicContact CE2-CG2 4.38Å; L462-I475 HydrophobicContact CD1-CD1 4.2Å; L462-I475 HydrophobicContact CD1-CG2 4.27Å; P463-I475 HydrophobicContact CG-CG2 3.64Å; S473-I475 PolarHBondContact O-N 2.9Å; S473-I475 WeakPolarHBondContact OG-CG1 3.2Å; I475-W481 HydrophobicContact CB-CD2 3.76Å; I475-W481 HydrophobicContact CB-CE3 3.63Å; I475-W481 HydrophobicContact CB-CG 4.28Å; I475-W481 HydrophobicContact CB-CH2 4.39Å; I475-W481 HydrophobicContact CB-CZ3 3.96Å; I475-W481 HydrophobicContact CD1-CE3 4.44Å; I475-W481 HydrophobicContact CD1-CH2 3.88Å; I475-W481 HydrophobicContact CD1-CZ2 4.45Å; I475-W481 HydrophobicContact CD1-CZ3 3.88Å; I475-W481 HydrophobicContact CG1-CZ3 4.44Å; I475-W481 HydrophobicContact CG2-CD2 3.68Å; I475-W481 HydrophobicContact CG2-CE3 4.07Å; I475-W481 HydrophobicContact CG2-CG 4.02Å; I475-W481 HydrophobicContact CG2-CH2 4.43Å; I475-W481 HydrophobicContact CG2-CZ2 4.09Å; I475-W481 HydrophobicContact CG2-CZ3 4.43Å; I475-T495 WeakPolarHBondContact CD1-O 3.43Å; I475-T497 HydrophobicContact CD1-CG2 4.28Å |
| 476 | K | 91.1 | Very high | 90.4 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -91.2 | -34.2 | 167 | -71.2 | -170.3 | -172.8 | -129.6 | 0 | 112 | T472 S473 P474 T495 D496 | T472-K476 HydrophobicContact CG2-CB 4Å; S473-K476 WeakPolarHBondContact O-CA 3.18Å; S473-K476 WeakPolarHBondContact O-CB 3.13Å; S473-K476 PolarHBondContact O-N 3.2Å; P474-K476 PolarHBondContact O-N 3.03Å; K476-T495 VanDerWaalsContact CE-OG1 3.27Å; K476-T495 WeakPolarHBondContact CE-OG1 3.38Å; K476-T495 HydrophobicContact CG-CG2 4.27Å; K476-T495 WeakPolarHBondContact CG-OG1 3.44Å; K476-T495 PolarHBondContact NZ-OG1 3.49Å; K476-D496 WeakPolarHBondContact CE-OD1 3.27Å; K476-D496 IonicContact NZ-OD1 3.95Å; K476-D496 PolarHBondContact NZ-OD1 2.9Å |
| 477 | A | 88.5 | Confident | 90.4 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.2 | -34.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T472 S473 P474 P479 | T472-A477 HydrophobicContact CG2-CB 4.32Å; S473-A477 PolarHBondContact O-N 2.89Å; P474-A477 PolarHBondContact O-N 3.35Å; A477-P479 VanDerWaalsContact O-CD 3.22Å; A477-P479 WeakPolarHBondContact O-CD 3.48Å |
| 478 | D | 89.7 | Confident | 90.6 | Very high | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | trans | -90.8 | 102.7 | 172.3 | -179.1 | 9.5 | 0 | 0 | 0 | 111.1 | P474 E480 W481 | P474-D478 PolarHBondContact O-N 2.79Å; D478-E480 PolarHBondContact O-N 3.33Å; D478-E480 WeakPolarHBondContact OD1-CB 3.32Å; D478-E480 PolarHBondContact OD1-N 3.16Å; D478-W481 PolarHBondContact O-N 3.2Å | ||
| 479 | P | 89.8 | Confident | 91 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.4 | 179.4 | 30.9 | -36.5 | 0 | 0 | 0 | 113.2 | A477 | A477-P479 VanDerWaalsContact O-CD 3.22Å; A477-P479 WeakPolarHBondContact O-CD 3.48Å |
| 480 | E | 95.5 | Very high | 91.7 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -32.4 | 177.5 | -58.9 | -55 | 128.8 | 0 | 0 | 111.8 | D478 A482 K483 | D478-E480 PolarHBondContact O-N 3.33Å; D478-E480 WeakPolarHBondContact OD1-CB 3.32Å; D478-E480 PolarHBondContact OD1-N 3.16Å; E480-A482 VanDerWaalsContact C-N 3.29Å; E480-A482 PolarHBondContact O-N 3.21Å; E480-K483 WeakPolarHBondContact O-CB 3.36Å; E480-K483 PolarHBondContact O-N 3.33Å; E480-K483 VanDerWaalsContact O-N 3.08Å; E480-K483 WeakPolarHBondContact OE1-CE 3.49Å; E480-K483 IonicContact OE1-NZ 2.7Å; E480-K483 PolarHBondContact OE1-NZ 3.28Å; E480-K483 WeakPolarHBondContact OE2-CD 3.36Å; E480-K483 WeakPolarHBondContact OE2-CE 3.09Å; E480-K483 IonicContact OE2-NZ 3.39Å; E480-K483 PolarHBondContact OE2-NZ 3.33Å |
| 481 | W | 96.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -39.3 | -179.4 | -177.8 | 87.5 | 0 | 0 | 0 | 112.7 | P439 V460 I475 D478 K483 R493 T495 | P439-W481 HydrophobicContact CB-CH2 4.13Å; P439-W481 HydrophobicContact CG-CH2 4.29Å; P439-W481 HydrophobicContact CG-CZ2 4.28Å; V460-W481 HydrophobicContact CG1-CH2 4.09Å; V460-W481 HydrophobicContact CG1-CZ2 4.1Å; I475-W481 HydrophobicContact CB-CD2 3.76Å; I475-W481 HydrophobicContact CB-CE3 3.63Å; I475-W481 HydrophobicContact CB-CG 4.28Å; I475-W481 HydrophobicContact CB-CH2 4.39Å; I475-W481 HydrophobicContact CB-CZ3 3.96Å; I475-W481 HydrophobicContact CD1-CE3 4.44Å; I475-W481 HydrophobicContact CD1-CH2 3.88Å; I475-W481 HydrophobicContact CD1-CZ2 4.45Å; I475-W481 HydrophobicContact CD1-CZ3 3.88Å; I475-W481 HydrophobicContact CG1-CZ3 4.44Å; I475-W481 HydrophobicContact CG2-CD2 3.68Å; I475-W481 HydrophobicContact CG2-CE3 4.07Å; I475-W481 HydrophobicContact CG2-CG 4.02Å; I475-W481 HydrophobicContact CG2-CH2 4.43Å; I475-W481 HydrophobicContact CG2-CZ2 4.09Å; I475-W481 HydrophobicContact CG2-CZ3 4.43Å; D478-W481 PolarHBondContact O-N 3.2Å; W481-K483 VanDerWaalsContact C-N 3.26Å; W481-K483 PolarHBondContact O-N 2.94Å; W481-R493 HydrophobicContact CZ3-CB 4.45Å; W481-T495 HydrophobicContact CE3-CG2 4.48Å; W481-T495 HydrophobicContact CZ3-CG2 4.3Å |
| 482 | A | 96.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E480 T484 L492 R493 T495 | E480-A482 VanDerWaalsContact C-N 3.29Å; E480-A482 PolarHBondContact O-N 3.21Å; A482-T484 PolarHBondContact O-N 3.29Å; A482-L492 HydrophobicContact CB-CD2 4.3Å; A482-L492 CarbonylContact O-C 3.59Å; A482-L492 VanDerWaalsContact O-CA 3.31Å; A482-L492 WeakPolarHBondContact O-CA 3.43Å; A482-R493 PolarHBondContact O-N 3.16Å; A482-T495 HydrophobicContact CB-CG2 4.08Å |
| 483 | K | 97.9 | Very high | 94.7 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.5 | -175 | -66.4 | 178.9 | -168.2 | 171.8 | 0 | 111.6 | E480 W481 L492 | E480-K483 WeakPolarHBondContact O-CB 3.36Å; E480-K483 PolarHBondContact O-N 3.33Å; E480-K483 VanDerWaalsContact O-N 3.08Å; E480-K483 WeakPolarHBondContact OE1-CE 3.49Å; E480-K483 IonicContact OE1-NZ 2.7Å; E480-K483 PolarHBondContact OE1-NZ 3.28Å; E480-K483 WeakPolarHBondContact OE2-CD 3.36Å; E480-K483 WeakPolarHBondContact OE2-CE 3.09Å; E480-K483 IonicContact OE2-NZ 3.39Å; E480-K483 PolarHBondContact OE2-NZ 3.33Å; W481-K483 VanDerWaalsContact C-N 3.26Å; W481-K483 PolarHBondContact O-N 2.94Å; K483-L492 HydrophobicContact CG-CD2 4.01Å |
| 484 | T | 97.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -174.8 | 173.1 | -159.7 | 0 | 0 | 0 | 0 | 111.1 | V443 Q457 A482 V486 A491 R493 | V443-T484 HydrophobicContact CG1-CG2 4.11Å; Q457-T484 PolarHBondContact OE1-OG1 3.22Å; A482-T484 PolarHBondContact O-N 3.29Å; T484-V486 HydrophobicContact CG2-CG2 4.26Å; T484-A491 HydrophobicContact CG2-CB 3.99Å; T484-A491 PolarHBondContact N-O 2.82Å; T484-A491 PolarHBondContact O-N 2.86Å; T484-R493 HydrophobicContact CG2-CG 3.83Å; T484-R493 PolarHBondContact OG1-NH2 3.41Å |
| 485 | T | 98 | Very high | 95.4 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.7 | 177.4 | -56 | 0 | 0 | 0 | 0 | 109.2 | Q457 M489 | Q457-T485 PolarHBondContact NE2-O 2.86Å; T485-M489 WeakPolarHBondContact CA-O 3.28Å; T485-M489 WeakPolarHBondContact CG2-O 3.5Å |
| 486 | V | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.6 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | V443 L445 M451 P454 T484 G488 M489 A491 | V443-V486 HydrophobicContact CG1-CG2 4.42Å; V443-V486 HydrophobicContact CG2-CG2 4.19Å; L445-V486 HydrophobicContact CD2-CB 3.79Å; L445-V486 HydrophobicContact CD2-CG1 4.04Å; M451-V486 HydrophobicContact CE-CG1 4.26Å; M451-V486 HydrophobicContact SD-CG1 3.99Å; P454-V486 HydrophobicContact CG-CG1 3.8Å; P454-V486 HydrophobicContact CG-CG2 4.2Å; T484-V486 HydrophobicContact CG2-CG2 4.26Å; V486-G488 PolarHBondContact O-N 3.32Å; V486-G488 VanDerWaalsContact O-N 3.14Å; V486-M489 PolarHBondContact N-O 3.31Å; V486-M489 PolarHBondContact O-N 2.85Å; V486-A491 HydrophobicContact CB-CB 4.35Å; V486-A491 HydrophobicContact CG2-CB 4.2Å |
| 487 | N | 93.6 | Very high | 95.7 | Very high | 130 Ų | 130 | 55.1 Ų | 55.1 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.8 | -175 | -58.1 | -34.6 | 0 | 0 | 0 | 113.8 | M489 | N487-M489 PolarHBondContact O-N 2.78Š|
| 488 | G | 94 | Very high | 96.1 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -2.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V486 | V486-G488 PolarHBondContact O-N 3.32Å; V486-G488 VanDerWaalsContact O-N 3.14Å |
| 489 | M | 96.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 144.4 | 175.2 | -70.3 | -171.7 | -74.8 | 0 | 0 | 111.3 | L445 T485 V486 N487 | L445-M489 HydrophobicContact CD1-CE 4.03Å; T485-M489 WeakPolarHBondContact CA-O 3.28Å; T485-M489 WeakPolarHBondContact CG2-O 3.5Å; V486-M489 PolarHBondContact N-O 3.31Å; V486-M489 PolarHBondContact O-N 2.85Å; N487-M489 PolarHBondContact O-N 2.78Å |
| 490 | P | 97.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 141 | 168.3 | -22.4 | 33.6 | 0 | 0 | 0 | 111.3 | E446 | E446-P490 PolarHBondContact N-O 3.3Å; E446-P490 VanDerWaalsContact N-O 3.11Å |
| 491 | A | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 159.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T444 L445 T484 V486 | T444-A491 CarbonylContact O-C 3.54Å; T444-A491 VanDerWaalsContact O-CA 3.27Å; T444-A491 WeakPolarHBondContact O-CA 3.29Å; L445-A491 HydrophobicContact CD2-CB 3.87Å; T484-A491 HydrophobicContact CG2-CB 3.99Å; T484-A491 PolarHBondContact N-O 2.82Å; T484-A491 PolarHBondContact O-N 2.86Å; V486-A491 HydrophobicContact CB-CB 4.35Å; V486-A491 HydrophobicContact CG2-CB 4.2Å |
| 492 | L | 98.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.1 | 173.9 | -62.2 | 177.6 | 0 | 0 | 0 | 110.2 | V443 T444 A482 K483 | V443-L492 CarbonylContact C-O 3.58Å; V443-L492 VanDerWaalsContact CA-O 3.32Å; V443-L492 WeakPolarHBondContact CA-O 3.09Å; T444-L492 PolarHBondContact N-O 3.45Å; T444-L492 PolarHBondContact O-N 3.29Å; A482-L492 HydrophobicContact CB-CD2 4.3Å; A482-L492 CarbonylContact O-C 3.59Å; A482-L492 VanDerWaalsContact O-CA 3.31Å; A482-L492 WeakPolarHBondContact O-CA 3.43Å; K483-L492 HydrophobicContact CG-CD2 4.01Å |
| 493 | R | 98.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 146.2 | 171 | -61.7 | 172.9 | 178.3 | 173.9 | -1.4 | 110 | V443 W481 A482 T484 | V443-R493 HydrophobicContact CG1-CG 4.1Å; W481-R493 HydrophobicContact CZ3-CB 4.45Å; A482-R493 PolarHBondContact O-N 3.16Å; T484-R493 HydrophobicContact CG2-CG 3.83Å; T484-R493 PolarHBondContact OG1-NH2 3.41Å |
| 494 | E | 97.2 | Very high | 96.6 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | trans | -59.4 | 139.5 | 168.7 | -174.1 | 62.7 | -82.2 | 0 | 0 | 109.7 | K159 W199 I440 M442 D496 | K159-E494 IonicContact NZ-OE2 2.64Å; K159-E494 PolarHBondContact NZ-OE2 2.94Å; W199-E494 PolarHBondContact NE1-OE2 2.91Å; I440-E494 HydrophobicContact CB-CB 4.32Å; I440-E494 HydrophobicContact CB-CG 3.94Å; I440-E494 HydrophobicContact CG2-CB 4.5Å; I440-E494 HydrophobicContact CG2-CG 4.17Å; M442-E494 HydrophobicContact CB-CB 4.29Å; M442-E494 PolarHBondContact O-N 3.21Å; E494-D496 HydrophobicContact CG-CB 4.09Å | ||
| 495 | T | 96.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 32 Ų | 32 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | trans | -108.3 | -4.8 | -178 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | I475 K476 W481 A482 | I475-T495 WeakPolarHBondContact CD1-O 3.43Å; K476-T495 VanDerWaalsContact CE-OG1 3.27Å; K476-T495 WeakPolarHBondContact CE-OG1 3.38Å; K476-T495 HydrophobicContact CG-CG2 4.27Å; K476-T495 WeakPolarHBondContact CG-OG1 3.44Å; K476-T495 PolarHBondContact NZ-OG1 3.49Å; W481-T495 HydrophobicContact CE3-CG2 4.48Å; W481-T495 HydrophobicContact CZ3-CG2 4.3Å; A482-T495 HydrophobicContact CB-CG2 4.08Å | ||
| 496 | D | 95.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | trans | -74 | 147.3 | 166.1 | -76.2 | 11.3 | 0 | 0 | 0 | 109.7 | R432 Q433 I440 K476 E494 | R432-D496 WeakPolarHBondContact O-CA 3.33Å; Q433-D496 PolarHBondContact NE2-OD2 2.88Å; I440-D496 HydrophobicContact CD1-CB 3.92Å; I440-D496 WeakPolarHBondContact CG1-O 3.45Å; I440-D496 PolarHBondContact N-O 3.5Å; K476-D496 WeakPolarHBondContact CE-OD1 3.27Å; K476-D496 IonicContact NZ-OD1 3.95Å; K476-D496 PolarHBondContact NZ-OD1 2.9Å; E494-D496 HydrophobicContact CG-CB 4.09Å | ||
| 497 | T | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 164.9 | 175.8 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | R432 R434 G437 A438 I475 | R432-T497 PolarHBondContact N-O 2.93Å; R432-T497 PolarHBondContact O-N 3.43Å; R432-T497 PolarHBondContact O-OG1 2.73Å; R434-T497 VanDerWaalsContact O-CG2 3.27Å; R434-T497 WeakPolarHBondContact O-CG2 3.47Å; R434-T497 PolarHBondContact O-OG1 3.26Å; G437-T497 VanDerWaalsContact O-CG2 3.24Å; G437-T497 WeakPolarHBondContact O-CG2 3.5Å; A438-T497 CarbonylContact O-C 3.6Å; A438-T497 VanDerWaalsContact O-CA 3.27Å; A438-T497 WeakPolarHBondContact O-CA 3.33Å; A438-T497 WeakPolarHBondContact O-CB 3.17Å; I475-T497 HydrophobicContact CD1-CG2 4.28Å |
| 498 | F | 97.2 | Very high | 97 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 150.1 | 176.2 | -74 | -51.3 | 0 | 0 | 0 | 112.6 | Q145 F148 V430 A438 I440 P441 M502 | Q145-F498 HydrophobicContact CG-CE2 4.33Å; F148-F498 HydrophobicContact CB-CZ 3.78Å; F148-F498 HydrophobicContact CD1-CE1 4.32Å; F148-F498 AromaticContact CD1-CZ 3.94Å; F148-F498 HydrophobicContact CD1-CZ 3.94Å; F148-F498 AromaticContact CD2-CE1 3.54Å; F148-F498 HydrophobicContact CD2-CE1 3.54Å; F148-F498 AromaticContact CD2-CZ 3.64Å; F148-F498 HydrophobicContact CD2-CZ 3.64Å; F148-F498 HydrophobicContact CE1-CE1 4.38Å; F148-F498 HydrophobicContact CE1-CZ 4.39Å; F148-F498 AromaticContact CE2-CE1 3.64Å; F148-F498 HydrophobicContact CE2-CE1 3.64Å; F148-F498 HydrophobicContact CE2-CZ 4.14Å; F148-F498 AromaticContact CG-CE1 3.9Å; F148-F498 HydrophobicContact CG-CE1 3.9Å; F148-F498 AromaticContact CG-CZ 3.51Å; F148-F498 HydrophobicContact CG-CZ 3.51Å; F148-F498 HydrophobicContact CZ-CE1 4.03Å; F148-F498 HydrophobicContact CZ-CZ 4.46Å; V430-F498 HydrophobicContact CB-CD1 4.2Å; V430-F498 HydrophobicContact CG2-CD1 4.16Å; V430-F498 HydrophobicContact CG2-CE1 4.22Å; V430-F498 CarbonylContact O-C 3.57Å; V430-F498 WeakPolarHBondContact O-CA 3.39Å; A438-F498 HydrophobicContact CB-CD2 3.87Å; A438-F498 PolarHBondContact O-N 3.48Å; I440-F498 HydrophobicContact CB-CE1 4.39Å; I440-F498 HydrophobicContact CB-CZ 4.48Å; I440-F498 HydrophobicContact CD1-CD1 4.22Å; I440-F498 HydrophobicContact CD1-CE1 4.34Å; I440-F498 HydrophobicContact CG1-CD1 3.69Å; I440-F498 HydrophobicContact CG1-CE1 3.69Å; I440-F498 HydrophobicContact CG1-CG 4.18Å; I440-F498 HydrophobicContact CG1-CZ 4.17Å; I440-F498 HydrophobicContact CG2-CE1 4.34Å; I440-F498 HydrophobicContact CG2-CZ 4.47Å; P441-F498 HydrophobicContact CG-CZ 4.5Å; F498-M502 HydrophobicContact CB-CB 4.02Å; F498-M502 HydrophobicContact CB-CE 4.5Å; F498-M502 HydrophobicContact CB-CG 4.37Å; F498-M502 HydrophobicContact CD1-CE 3.55Å; F498-M502 HydrophobicContact CD2-CG 4.22Å; F498-M502 HydrophobicContact CE1-CE 3.85Å; F498-M502 HydrophobicContact CG-CB 4.35Å; F498-M502 HydrophobicContact CG-CE 4.05Å; F498-M502 HydrophobicContact CG-CG 4.16Å |
| 499 | D | 92.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | trans | -58.8 | 136.2 | 159.1 | -173.9 | 25.6 | 0 | 0 | 0 | 110.1 | Q178 W428 V430 R432 F501 M502 | Q178-D499 PolarHBondContact NE2-OD1 3.39Å; W428-D499 PolarHBondContact NE1-OD2 3.1Å; W428-D499 VanDerWaalsContact NE1-OD2 3.08Å; V430-D499 PolarHBondContact O-N 2.82Å; R432-D499 HydrophobicContact CG-CB 4.27Å; R432-D499 IonicContact CZ-OD1 3.59Å; R432-D499 IonicContact CZ-OD2 3.77Å; R432-D499 IonicContact NE-OD1 3.74Å; R432-D499 PolarHBondContact NE-OD1 2.85Å; R432-D499 IonicContact NH2-OD1 3.37Å; R432-D499 PolarHBondContact NH2-OD1 3.48Å; R432-D499 IonicContact NH2-OD2 2.73Å; R432-D499 PolarHBondContact NH2-OD2 2.84Å; D499-F501 PolarHBondContact O-N 3.46Å; D499-M502 VanDerWaalsContact O-CB 3.24Å; D499-M502 WeakPolarHBondContact O-CB 3.38Å; D499-M502 PolarHBondContact O-N 3.21Å | ||
| 500 | T | 94 | Very high | 97.4 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 5% | 0.049 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.8 | -176.4 | 59.3 | 0 | 0 | 0 | 0 | 114 | F90 G91 M502 E503 S504 | F90-T500 HydrophobicContact CB-CG2 3.99Å; G91-T500 VanDerWaalsContact CA-CG2 3.45Å; T500-M502 PolarHBondContact O-N 2.93Å; T500-E503 VanDerWaalsContact C-OE2 3.24Å; T500-E503 WeakPolarHBondContact CA-OE2 3.39Å; T500-S504 PolarHBondContact O-OG 3.32Å; T500-S504 VanDerWaalsContact O-OG 3.09Å |
| 501 | F | 94.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.009 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -71.9 | -14.6 | 169.7 | -72.7 | -62.8 | 0 | 0 | 0 | 112.7 | Q178 W428 D499 S504 S505 M544 H545 Y548 | Q178-F501 HydrophobicContact CG-CE2 4.09Å; W428-F501 HydrophobicContact CH2-CB 4.38Å; W428-F501 HydrophobicContact CZ2-CB 3.66Å; D499-F501 PolarHBondContact O-N 3.46Å; F501-S504 WeakPolarHBondContact CA-OG 3.25Å; F501-S505 VanDerWaalsContact O-CB 3.27Å; F501-S505 WeakPolarHBondContact O-CB 3.27Å; F501-S505 PolarHBondContact O-N 3.39Å; F501-S505 PolarHBondContact O-OG 3.12Å; F501-M544 HydrophobicContact CD2-CE 4.21Å; F501-M544 HydrophobicContact CE1-CB 4.41Å; F501-M544 HydrophobicContact CE2-CE 3.21Å; F501-M544 HydrophobicContact CE2-SD 4.47Å; F501-M544 HydrophobicContact CZ-CB 4.2Å; F501-M544 HydrophobicContact CZ-CE 3.49Å; F501-M544 VanDerWaalsContact CZ-CE 3.49Å; F501-M544 HydrophobicContact CZ-SD 4.21Å; F501-H545 HydrophobicContact CD1-CB 4.11Å; F501-H545 HydrophobicContact CE1-CB 3.86Å; F501-Y548 HydrophobicContact CB-CD2 3.7Å; F501-Y548 HydrophobicContact CB-CE2 4.03Å; F501-Y548 HydrophobicContact CD1-CD2 4.19Å; F501-Y548 HydrophobicContact CD2-CD2 4.41Å; F501-Y548 HydrophobicContact CD2-CE2 4.06Å; F501-Y548 AromaticContact CG-CD2 3.84Å; F501-Y548 HydrophobicContact CG-CD2 3.84Å; F501-Y548 AromaticContact CG-CE2 3.96Å; F501-Y548 HydrophobicContact CG-CE2 3.96Å |
| 502 | M | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.9 | -54.8 | 172.8 | -165.4 | 68.8 | 57.1 | 0 | 0 | 110 | E144 I201 W428 V430 F498 D499 T500 S505 W506 F552 | E144-M502 HydrophobicContact CB-CG 4.1Å; E144-M502 HydrophobicContact CG-CG 4.35Å; I201-M502 HydrophobicContact CD1-CE 3.81Å; I201-M502 HydrophobicContact CD1-SD 4.24Å; W428-M502 HydrophobicContact CH2-CE 4.11Å; W428-M502 HydrophobicContact CH2-SD 4.19Å; W428-M502 HydrophobicContact CZ2-CE 4.35Å; W428-M502 HydrophobicContact CZ3-CE 4.49Å; V430-M502 HydrophobicContact CB-CE 3.73Å; V430-M502 HydrophobicContact CG1-CE 3.48Å; V430-M502 VanDerWaalsContact CG1-CE 3.48Å; V430-M502 HydrophobicContact CG2-CE 4.26Å; F498-M502 HydrophobicContact CB-CB 4.02Å; F498-M502 HydrophobicContact CB-CE 4.5Å; F498-M502 HydrophobicContact CB-CG 4.37Å; F498-M502 HydrophobicContact CD1-CE 3.55Å; F498-M502 HydrophobicContact CD2-CG 4.22Å; F498-M502 HydrophobicContact CE1-CE 3.85Å; F498-M502 HydrophobicContact CG-CB 4.35Å; F498-M502 HydrophobicContact CG-CE 4.05Å; F498-M502 HydrophobicContact CG-CG 4.16Å; D499-M502 VanDerWaalsContact O-CB 3.24Å; D499-M502 WeakPolarHBondContact O-CB 3.38Å; D499-M502 PolarHBondContact O-N 3.21Å; T500-M502 PolarHBondContact O-N 2.93Å; M502-S505 WeakPolarHBondContact O-CB 3.33Å; M502-S505 PolarHBondContact O-N 3.45Å; M502-W506 PolarHBondContact O-NE1 3.19Å; M502-F552 HydrophobicContact SD-CE2 3.66Å; M502-F552 HydrophobicContact SD-CZ 4.17Å |
| 503 | E | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | -174.2 | -62.2 | 77.6 | 176 | 0 | 0 | 110.9 | F90 T135 Y140 E144 T500 S505 Y507 | F90-E503 HydrophobicContact CD2-CG 4.16Å; F90-E503 VanDerWaalsContact CD2-OE1 3.29Å; F90-E503 WeakPolarHBondContact CD2-OE1 3.35Å; T135-E503 HydrophobicContact CG2-CB 3.88Å; Y140-E503 HydrophobicContact CE1-CB 3.87Å; Y140-E503 HydrophobicContact CE1-CG 4.11Å; Y140-E503 PolarHBondContact OH-O 3.15Å; E144-E503 VanDerWaalsContact OE2-CA 3.3Å; E144-E503 WeakPolarHBondContact OE2-CA 3.35Å; E144-E503 WeakPolarHBondContact OE2-CG 3.41Å; E144-E503 PolarHBondContact OE2-N 3.47Å; T500-E503 VanDerWaalsContact C-OE2 3.24Å; T500-E503 WeakPolarHBondContact CA-OE2 3.39Å; E503-S505 PolarHBondContact O-N 3.46Å; E503-Y507 PolarHBondContact O-N 2.86Å |
| 504 | S | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 5.5 Ų | 5.5 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -71.8 | -8.8 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | T500 F501 Y507 H545 | T500-S504 PolarHBondContact O-OG 3.32Å; T500-S504 VanDerWaalsContact O-OG 3.09Å; F501-S504 WeakPolarHBondContact CA-OG 3.25Å; S504-Y507 WeakPolarHBondContact O-CD1 3.05Å; S504-Y507 WeakPolarHBondContact O-CE1 3.22Å; S504-H545 PolarHBondContact O-CE1 3.48Å |
| 505 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.1 | 178.5 | -69.7 | 0 | 0 | 0 | 0 | 114.9 | F501 M502 E503 Y508 Y548 F552 | F501-S505 VanDerWaalsContact O-CB 3.27Å; F501-S505 WeakPolarHBondContact O-CB 3.27Å; F501-S505 PolarHBondContact O-N 3.39Å; F501-S505 PolarHBondContact O-OG 3.12Å; M502-S505 WeakPolarHBondContact O-CB 3.33Å; M502-S505 PolarHBondContact O-N 3.45Å; E503-S505 PolarHBondContact O-N 3.46Å; S505-Y508 WeakPolarHBondContact O-CE1 3.41Å; S505-Y548 WeakPolarHBondContact OG-CB 3.27Å; S505-F552 WeakPolarHBondContact O-CB 3.28Å |
| 506 | W | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | -3.9 | -174.2 | 66.3 | -87 | 0 | 0 | 0 | 115.5 | Y140 W143 E144 M502 Y508 A509 R510 M520 F552 M556 | Y140-W506 HydrophobicContact CD1-CH2 4.13Å; Y140-W506 AromaticContact CD1-CZ2 3.72Å; Y140-W506 HydrophobicContact CD1-CZ2 3.72Å; Y140-W506 AromaticContact CD2-CH2 3.95Å; Y140-W506 HydrophobicContact CD2-CH2 3.95Å; Y140-W506 HydrophobicContact CD2-CZ2 4.3Å; Y140-W506 AromaticContact CE1-CE2 3.65Å; Y140-W506 AromaticContact CE1-CH2 3.85Å; Y140-W506 HydrophobicContact CE1-CH2 3.85Å; Y140-W506 AromaticContact CE1-CZ2 3.2Å; Y140-W506 HydrophobicContact CE1-CZ2 3.2Å; Y140-W506 HydrophobicContact CE2-CE3 4.48Å; Y140-W506 AromaticContact CE2-CH2 3.67Å; Y140-W506 HydrophobicContact CE2-CH2 3.67Å; Y140-W506 AromaticContact CE2-CZ2 3.87Å; Y140-W506 HydrophobicContact CE2-CZ2 3.87Å; Y140-W506 HydrophobicContact CE2-CZ3 4.04Å; Y140-W506 HydrophobicContact CG-CH2 4.17Å; Y140-W506 HydrophobicContact CG-CZ2 4.23Å; Y140-W506 AromaticContact CZ-CE2 3.52Å; Y140-W506 AromaticContact CZ-CH2 3.61Å; Y140-W506 AromaticContact CZ-CZ2 3.29Å; Y140-W506 WeakPolarHBondContact O-CH2 3.38Å; W143-W506 HydrophobicContact CB-CH2 3.7Å; W143-W506 HydrophobicContact CB-CZ2 4.28Å; W143-W506 HydrophobicContact CB-CZ3 4.26Å; W143-W506 HydrophobicContact CG-CH2 4.34Å; E144-W506 HydrophobicContact CB-CZ2 4.1Å; E144-W506 HydrophobicContact CG-CZ2 4.29Å; E144-W506 PolarHBondContact OE2-NE1 3.15Å; M502-W506 PolarHBondContact O-NE1 3.19Å; W506-Y508 PolarHBondContact O-N 3.08Å; W506-Y508 VanDerWaalsContact O-N 3.1Å; W506-A509 WeakPolarHBondContact O-CB 3.32Å; W506-A509 PolarHBondContact O-N 2.86Å; W506-R510 HydrophobicContact CE3-CB 3.76Å; W506-R510 HydrophobicContact CE3-CG 4.42Å; W506-R510 HydrophobicContact CH2-CB 4.42Å; W506-R510 HydrophobicContact CH2-CG 4.24Å; W506-R510 HydrophobicContact CZ3-CB 3.49Å; W506-R510 VanDerWaalsContact CZ3-CB 3.49Å; W506-R510 HydrophobicContact CZ3-CG 3.64Å; W506-R510 PolarHBondContact O-N 3.27Å; W506-M520 HydrophobicContact CB-CE 3.89Å; W506-M520 HydrophobicContact CD2-CE 3.19Å; W506-M520 HydrophobicContact CE3-CE 3.13Å; W506-M520 HydrophobicContact CE3-CG 4.3Å; W506-M520 HydrophobicContact CG-CE 3.52Å; W506-M520 HydrophobicContact CH2-CE 4.27Å; W506-M520 HydrophobicContact CZ2-CE 4.33Å; W506-M520 HydrophobicContact CZ3-CE 3.67Å; W506-M520 HydrophobicContact CZ3-CG 4.05Å; W506-F552 HydrophobicContact CB-CD1 3.8Å; W506-F552 HydrophobicContact CB-CE1 4.02Å; W506-F552 HydrophobicContact CB-CG 4.42Å; W506-F552 HydrophobicContact CG-CD1 4.41Å; W506-F552 HydrophobicContact CG-CE1 4.16Å; W506-M556 HydrophobicContact CB-CE 4.2Å; W506-M556 HydrophobicContact CB-SD 4.15Å |
| 507 | Y | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -52.6 | -35.2 | -178.9 | 79.4 | -72.7 | 0 | 0 | 0 | 114.4 | L46 L49 Y140 E503 S504 A509 R510 Y511 Y535 | L46-Y507 HydrophobicContact CD1-CE2 4.07Å; L46-Y507 HydrophobicContact CD2-CE2 4.35Å; L49-Y507 HydrophobicContact CB-CD2 4.32Å; L49-Y507 HydrophobicContact CB-CE2 3.91Å; L49-Y507 HydrophobicContact CD1-CD2 3.68Å; L49-Y507 HydrophobicContact CD1-CE2 4.08Å; L49-Y507 HydrophobicContact CD1-CG 4.07Å; L49-Y507 HydrophobicContact CD2-CD1 4.23Å; L49-Y507 HydrophobicContact CD2-CD2 4Å; L49-Y507 HydrophobicContact CD2-CE1 3.94Å; L49-Y507 HydrophobicContact CD2-CE2 3.69Å; L49-Y507 HydrophobicContact CD2-CG 4.25Å; L49-Y507 HydrophobicContact CG-CD2 4.2Å; L49-Y507 HydrophobicContact CG-CE2 4.09Å; Y140-Y507 WeakPolarHBondContact OH-CA 3.21Å; Y140-Y507 VanDerWaalsContact OH-CB 3.22Å; Y140-Y507 WeakPolarHBondContact OH-CB 3.31Å; Y140-Y507 PolarHBondContact OH-N 3.07Å; E503-Y507 PolarHBondContact O-N 2.86Å; S504-Y507 WeakPolarHBondContact O-CD1 3.05Å; S504-Y507 WeakPolarHBondContact O-CE1 3.22Å; Y507-A509 VanDerWaalsContact C-N 3.27Å; Y507-A509 PolarHBondContact O-N 2.92Å; Y507-R510 PolarHBondContact O-N 3Å; Y507-R510 VanDerWaalsContact O-N 3.1Å; Y507-Y511 AromaticContact CD2-CD2 3.96Å; Y507-Y511 HydrophobicContact CD2-CD2 3.96Å; Y507-Y511 AromaticContact CD2-CE2 3.22Å; Y507-Y511 HydrophobicContact CD2-CE2 3.22Å; Y507-Y511 AromaticContact CD2-CZ 3.72Å; Y507-Y511 HydrophobicContact CE2-CD2 4.33Å; Y507-Y511 AromaticContact CE2-CE2 3.5Å; Y507-Y511 HydrophobicContact CE2-CE2 3.5Å; Y507-Y511 VanDerWaalsContact CE2-CE2 3.5Å; Y507-Y511 HydrophobicContact CG-CE2 4.4Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.39Å; Y507-Y511 PolarHBondContact O-N 3.44Å; Y507-Y535 WeakPolarHBondContact OH-CE2 3.35Å; Y507-Y535 PolarHBondContact OH-OH 3.12Å |
| 508 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -36.7 | 176.2 | 72.4 | -79.3 | 0 | 0 | 0 | 112.7 | Y44 L46 S505 W506 L530 V532 F549 H553 M556 P567 | Y44-Y508 WeakPolarHBondContact CE2-O 3.42Å; Y44-Y508 PolarHBondContact OH-O 3.44Å; L46-Y508 VanDerWaalsContact CD2-CB 3.43Å; S505-Y508 WeakPolarHBondContact O-CE1 3.41Å; W506-Y508 PolarHBondContact O-N 3.08Å; W506-Y508 VanDerWaalsContact O-N 3.1Å; Y508-L530 HydrophobicContact CD2-CD2 3.57Å; Y508-L530 HydrophobicContact CE2-CD1 4.17Å; Y508-L530 HydrophobicContact CE2-CD2 3.78Å; Y508-V532 HydrophobicContact CD2-CG2 4.04Å; Y508-F549 AromaticContact CD1-CD2 3.53Å; Y508-F549 HydrophobicContact CD1-CD2 3.53Å; Y508-F549 AromaticContact CD1-CE2 3.26Å; Y508-F549 HydrophobicContact CD1-CE2 3.26Å; Y508-F549 AromaticContact CD2-CE2 3.9Å; Y508-F549 HydrophobicContact CD2-CE2 3.9Å; Y508-F549 AromaticContact CE1-CD2 3.43Å; Y508-F549 HydrophobicContact CE1-CD2 3.43Å; Y508-F549 VanDerWaalsContact CE1-CD2 3.43Å; Y508-F549 AromaticContact CE1-CE2 3.42Å; Y508-F549 HydrophobicContact CE1-CE2 3.42Å; Y508-F549 VanDerWaalsContact CE1-CE2 3.42Å; Y508-F549 HydrophobicContact CE2-CE2 4.1Å; Y508-F549 HydrophobicContact CG-CD2 4.25Å; Y508-F549 AromaticContact CG-CE2 3.5Å; Y508-F549 HydrophobicContact CG-CE2 3.5Å; Y508-F549 HydrophobicContact CG-CZ 4.46Å; Y508-F549 AromaticContact CZ-CE2 3.86Å; Y508-H553 AromaticContact CE2-ND1 3.64Å; Y508-H553 AromaticContact CZ-ND1 3.58Å; Y508-H553 WeakPolarHBondContact OH-CA 3.49Å; Y508-H553 WeakPolarHBondContact OH-CB 3.41Å; Y508-H553 VanDerWaalsContact OH-CG 3.28Å; Y508-H553 PolarHBondContact OH-ND1 3.43Å; Y508-M556 HydrophobicContact CE1-CE 4.19Å; Y508-M556 WeakPolarHBondContact OH-CE 3.12Å; Y508-P567 HydrophobicContact CD2-CB 4.3Å; Y508-P567 HydrophobicContact CE1-CB 4.42Å; Y508-P567 HydrophobicContact CE2-CB 3.54Å |
| 509 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -75.3 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | W506 Y507 Y511 T512 L521 L530 M556 | W506-A509 WeakPolarHBondContact O-CB 3.32Å; W506-A509 PolarHBondContact O-N 2.86Å; Y507-A509 VanDerWaalsContact C-N 3.27Å; Y507-A509 PolarHBondContact O-N 2.92Å; A509-Y511 VanDerWaalsContact C-N 3.29Å; A509-Y511 PolarHBondContact O-N 3.41Å; A509-T512 WeakPolarHBondContact O-CB 3.49Å; A509-T512 WeakPolarHBondContact O-CG2 3.27Å; A509-T512 PolarHBondContact O-N 2.97Å; A509-T512 PolarHBondContact O-OG1 2.93Å; A509-L521 VanDerWaalsContact C-CD2 3.46Å; A509-L521 HydrophobicContact CB-CD1 3.79Å; A509-L521 HydrophobicContact CB-CD2 3.73Å; A509-L521 HydrophobicContact CB-CG 4.42Å; A509-L521 WeakPolarHBondContact O-CD2 3.21Å; A509-L530 HydrophobicContact CB-CD1 4Å; A509-M556 HydrophobicContact CB-CE 3.97Å; A509-M556 HydrophobicContact CB-SD 4.29Å |
| 510 | R | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -31.4 | -179.4 | -168.3 | 50.4 | -178.2 | -174.1 | 8.9 | 113.6 | L133 Y140 W506 Y507 T512 C513 P514 Y516 G519 M520 | L133-R510 HydrophobicContact CD1-CB 3.76Å; L133-R510 HydrophobicContact CD1-CG 3.55Å; L133-R510 HydrophobicContact CD2-CG 4.37Å; Y140-R510 HydrophobicContact CD2-CG 4.05Å; Y140-R510 HydrophobicContact CE2-CB 4.02Å; Y140-R510 HydrophobicContact CE2-CG 3.92Å; W506-R510 HydrophobicContact CE3-CB 3.76Å; W506-R510 HydrophobicContact CE3-CG 4.42Å; W506-R510 HydrophobicContact CH2-CB 4.42Å; W506-R510 HydrophobicContact CH2-CG 4.24Å; W506-R510 HydrophobicContact CZ3-CB 3.49Å; W506-R510 VanDerWaalsContact CZ3-CB 3.49Å; W506-R510 HydrophobicContact CZ3-CG 3.64Å; W506-R510 PolarHBondContact O-N 3.27Å; Y507-R510 PolarHBondContact O-N 3Å; Y507-R510 VanDerWaalsContact O-N 3.1Å; R510-T512 PolarHBondContact O-N 3.39Å; R510-T512 VanDerWaalsContact O-N 3.14Å; R510-C513 CarbonylContact O-C 3.56Å; R510-C513 VanDerWaalsContact O-C 3.27Å; R510-C513 PolarHBondContact O-N 2.82Å; R510-P514 PolarHBondContact NE-O 3.29Å; R510-P514 PolarHBondContact NH2-O 3.02Å; R510-P514 VanDerWaalsContact O-CA 3.29Å; R510-P514 WeakPolarHBondContact O-CA 3.13Å; R510-P514 VanDerWaalsContact O-N 3.09Å; R510-Y516 PolarHBondContact NH1-O 3.22Å; R510-Y516 PolarHBondContact NH2-O 2.91Å; R510-G519 PolarHBondContact NH1-O 3.28Å; R510-M520 PolarHBondContact NH1-O 3.27Å |
| 511 | Y | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.3 | 173.2 | -74.2 | -42.9 | 0 | 0 | 0 | 114.2 | Y44 L46 P84 I85 G86 R131 L133 Y507 A509 C513 P514 | Y44-Y511 WeakPolarHBondContact OH-CB 3.22Å; Y44-Y511 WeakPolarHBondContact OH-CD2 3.45Å; L46-Y511 HydrophobicContact CD1-CD2 4.07Å; L46-Y511 HydrophobicContact CD1-CE2 3.9Å; P84-Y511 HydrophobicContact CB-CD1 3.74Å; P84-Y511 HydrophobicContact CB-CD2 3.66Å; P84-Y511 HydrophobicContact CB-CE1 4.12Å; P84-Y511 HydrophobicContact CB-CE2 3.98Å; P84-Y511 HydrophobicContact CB-CG 3.51Å; P84-Y511 HydrophobicContact CG-CD1 4.36Å; P84-Y511 HydrophobicContact CG-CD2 3.34Å; P84-Y511 HydrophobicContact CG-CE2 3.77Å; P84-Y511 HydrophobicContact CG-CG 3.66Å; I85-Y511 WeakPolarHBondContact O-CE1 3.03Å; I85-Y511 PolarHBondContact O-OH 3.19Å; G86-Y511 VanDerWaalsContact CA-OH 3.26Å; G86-Y511 WeakPolarHBondContact CA-OH 3.36Å; G86-Y511 PolarHBondContact N-OH 3.38Å; R131-Y511 WeakPolarHBondContact CD-O 3.33Å; R131-Y511 PolarHBondContact NH1-O 3.49Å; R131-Y511 WeakPolarHBondContact O-CD1 3.17Å; R131-Y511 WeakPolarHBondContact O-CE1 3.35Å; L133-Y511 HydrophobicContact CB-CE1 3.97Å; L133-Y511 HydrophobicContact CD1-CD1 3.54Å; L133-Y511 HydrophobicContact CD1-CE1 3.72Å; L133-Y511 HydrophobicContact CD1-CG 4.34Å; L133-Y511 HydrophobicContact CG-CD1 3.98Å; L133-Y511 HydrophobicContact CG-CE1 3.91Å; Y507-Y511 AromaticContact CD2-CD2 3.96Å; Y507-Y511 HydrophobicContact CD2-CD2 3.96Å; Y507-Y511 AromaticContact CD2-CE2 3.22Å; Y507-Y511 HydrophobicContact CD2-CE2 3.22Å; Y507-Y511 AromaticContact CD2-CZ 3.72Å; Y507-Y511 HydrophobicContact CE2-CD2 4.33Å; Y507-Y511 AromaticContact CE2-CE2 3.5Å; Y507-Y511 HydrophobicContact CE2-CE2 3.5Å; Y507-Y511 VanDerWaalsContact CE2-CE2 3.5Å; Y507-Y511 HydrophobicContact CG-CE2 4.4Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.39Å; Y507-Y511 PolarHBondContact O-N 3.44Å; A509-Y511 VanDerWaalsContact C-N 3.29Å; A509-Y511 PolarHBondContact O-N 3.41Å; Y511-C513 VanDerWaalsContact C-N 3.26Å; Y511-C513 PolarHBondContact O-N 2.77Å; Y511-P514 WeakPolarHBondContact O-CD 3.23Å |
| 512 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24 | 178.1 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | Y44 R131 A509 R510 A526 W529 L530 | Y44-T512 HydrophobicContact CE2-CG2 4.25Å; R131-T512 PolarHBondContact NH1-O 3.45Å; A509-T512 WeakPolarHBondContact O-CB 3.49Å; A509-T512 WeakPolarHBondContact O-CG2 3.27Å; A509-T512 PolarHBondContact O-N 2.97Å; A509-T512 PolarHBondContact O-OG1 2.93Å; R510-T512 PolarHBondContact O-N 3.39Å; R510-T512 VanDerWaalsContact O-N 3.14Å; T512-A526 VanDerWaalsContact OG1-CA 3.31Å; T512-A526 WeakPolarHBondContact OG1-CA 3.28Å; T512-W529 HydrophobicContact CG2-CB 3.64Å; T512-W529 HydrophobicContact CG2-CG 4.17Å; T512-L530 HydrophobicContact CG2-CG 4.35Å |
| 513 | C | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -153 | 58.9 | -177 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | R510 Y511 E515 Y516 D522 A525 | R510-C513 CarbonylContact O-C 3.56Å; R510-C513 VanDerWaalsContact O-C 3.27Å; R510-C513 PolarHBondContact O-N 2.82Å; Y511-C513 VanDerWaalsContact C-N 3.26Å; Y511-C513 PolarHBondContact O-N 2.77Å; C513-E515 VanDerWaalsContact C-N 3.28Å; C513-E515 PolarHBondContact O-N 3.22Å; C513-Y516 VanDerWaalsContact O-CB 3.3Å; C513-Y516 WeakPolarHBondContact O-CB 3.48Å; C513-Y516 PolarHBondContact O-N 3.09Å; C513-Y516 VanDerWaalsContact O-N 3.12Å; C513-D522 HydrophobicContact CB-CB 3.9Å; C513-D522 PolarHBondContact SG-N 3.49Å; C513-A525 HydrophobicContact CB-CB 4.16Å |
| 514 | P | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.3 | -164.6 | 23.7 | -30.2 | 0 | 0 | 0 | 113.1 | R131 L133 R510 Y511 | R131-P514 HydrophobicContact CB-CG 3.87Å; R131-P514 HydrophobicContact CG-CG 3.88Å; L133-P514 HydrophobicContact CD1-CB 4.38Å; L133-P514 HydrophobicContact CD2-CB 3.66Å; L133-P514 HydrophobicContact CG-CB 4.11Å; R510-P514 PolarHBondContact NE-O 3.29Å; R510-P514 PolarHBondContact NH2-O 3.02Å; R510-P514 VanDerWaalsContact O-CA 3.29Å; R510-P514 WeakPolarHBondContact O-CA 3.13Å; R510-P514 VanDerWaalsContact O-N 3.09Å; Y511-P514 WeakPolarHBondContact O-CD 3.23Å |
| 515 | E | 98.4 | Very high | 98.7 | Very high | 120 Ų | 120 | 36 Ų | 36 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 0.5 | 178.5 | -66.9 | -55.4 | 143.5 | 0 | 0 | 114.4 | C513 K517 | C513-E515 VanDerWaalsContact C-N 3.28Å; C513-E515 PolarHBondContact O-N 3.22Å; E515-K517 WeakPolarHBondContact O-CD 3.45Å; E515-K517 WeakPolarHBondContact O-CE 3.28Å; E515-K517 WeakPolarHBondContact O-CG 3.46Å; E515-K517 PolarHBondContact O-N 2.95Å; E515-K517 IonicContact OE2-NZ 3.9Å; E515-K517 PolarHBondContact OE2-NZ 2.91Å |
| 516 | Y | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 36 Ų | 36 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | trans | -64.6 | 130.5 | -179.6 | -175.6 | -119.3 | 0 | 0 | 0 | 111.7 | R510 C513 E518 G519 L521 D522 | R510-Y516 PolarHBondContact NH1-O 3.22Å; R510-Y516 PolarHBondContact NH2-O 2.91Å; C513-Y516 VanDerWaalsContact O-CB 3.3Å; C513-Y516 WeakPolarHBondContact O-CB 3.48Å; C513-Y516 PolarHBondContact O-N 3.09Å; C513-Y516 VanDerWaalsContact O-N 3.12Å; Y516-E518 VanDerWaalsContact CD2-OE2 3.29Å; Y516-E518 WeakPolarHBondContact CD2-OE2 3.29Å; Y516-E518 HydrophobicContact CE1-CB 4.23Å; Y516-E518 HydrophobicContact CE2-CB 3.93Å; Y516-E518 HydrophobicContact CE2-CG 4.43Å; Y516-E518 WeakPolarHBondContact CE2-OE2 3.35Å; Y516-G519 VanDerWaalsContact CD1-O 3.26Å; Y516-G519 WeakPolarHBondContact CD1-O 3.1Å; Y516-G519 VanDerWaalsContact CE1-N 3.28Å; Y516-L521 VanDerWaalsContact CD1-C 3.48Å; Y516-L521 VanDerWaalsContact CE1-C 3.46Å; Y516-L521 VanDerWaalsContact CE1-O 3.24Å; Y516-L521 WeakPolarHBondContact CE1-O 3.39Å; Y516-D522 HydrophobicContact CD1-CB 4.04Å; Y516-D522 VanDerWaalsContact CD1-N 3.33Å; Y516-D522 HydrophobicContact CD2-CB 3.97Å; Y516-D522 HydrophobicContact CE1-CB 4.13Å; Y516-D522 HydrophobicContact CE2-CB 4.07Å; Y516-D522 HydrophobicContact CG-CB 3.94Å | ||
| 517 | K | 98.4 | Very high | 98.7 | Very high | 95 Ų | 95 | 38 Ų | 38 | 41% | 0.413 | 19% | 0.188 | S | C | . | . | trans | -112.3 | -12.8 | -169.4 | -55.3 | -54.2 | 179.5 | -163.5 | 0 | 113.7 | W143 E515 | W143-K517 VanDerWaalsContact CH2-O 3.27Å; W143-K517 WeakPolarHBondContact CH2-O 3.33Å; E515-K517 WeakPolarHBondContact O-CD 3.45Å; E515-K517 WeakPolarHBondContact O-CE 3.28Å; E515-K517 WeakPolarHBondContact O-CG 3.46Å; E515-K517 PolarHBondContact O-N 2.95Å; E515-K517 IonicContact OE2-NZ 3.9Å; E515-K517 PolarHBondContact OE2-NZ 2.91Å | ||
| 518 | E | 98 | Very high | 98.7 | Very high | 148 Ų | 148 | 39 Ų | 39 | 69% | 0.692 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -90.7 | -8.2 | -174.2 | -63.5 | 68.9 | -156.2 | 0 | 0 | 112.7 | Y516 | Y516-E518 VanDerWaalsContact CD2-OE2 3.29Å; Y516-E518 WeakPolarHBondContact CD2-OE2 3.29Å; Y516-E518 HydrophobicContact CE1-CB 4.23Å; Y516-E518 HydrophobicContact CE2-CB 3.93Å; Y516-E518 HydrophobicContact CE2-CG 4.43Å; Y516-E518 WeakPolarHBondContact CE2-OE2 3.35Å |
| 519 | G | 97.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -172.9 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | W143 R510 Y516 L521 | W143-G519 VanDerWaalsContact CE3-C 3.46Å; W143-G519 VanDerWaalsContact CH2-C 3.47Å; W143-G519 WeakPolarHBondContact CH2-O 3.28Å; W143-G519 VanDerWaalsContact CZ2-O 3.28Å; W143-G519 WeakPolarHBondContact CZ2-O 3.14Å; W143-G519 VanDerWaalsContact CZ3-CA 3.44Å; R510-G519 PolarHBondContact NH1-O 3.28Å; Y516-G519 VanDerWaalsContact CD1-O 3.26Å; Y516-G519 WeakPolarHBondContact CD1-O 3.1Å; Y516-G519 VanDerWaalsContact CE1-N 3.28Å; G519-L521 VanDerWaalsContact C-N 3.31Å; G519-L521 PolarHBondContact O-N 3.29Å |
| 520 | M | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -62.2 | -41.3 | 175.8 | 179.8 | 172.6 | -173.6 | 0 | 0 | 111.5 | W143 F147 W506 R510 F552 M556 M561 | W143-M520 HydrophobicContact CB-CB 3.98Å; W143-M520 HydrophobicContact CB-CG 3.82Å; W143-M520 HydrophobicContact CD2-CB 4.35Å; W143-M520 HydrophobicContact CE3-CB 4.22Å; W143-M520 HydrophobicContact CG-CB 4.28Å; W143-M520 HydrophobicContact CG-CG 4.43Å; F147-M520 HydrophobicContact CB-SD 4.11Å; F147-M520 HydrophobicContact CD2-SD 4.3Å; F147-M520 HydrophobicContact CG-SD 4.13Å; W506-M520 HydrophobicContact CB-CE 3.89Å; W506-M520 HydrophobicContact CD2-CE 3.19Å; W506-M520 HydrophobicContact CE3-CE 3.13Å; W506-M520 HydrophobicContact CE3-CG 4.3Å; W506-M520 HydrophobicContact CG-CE 3.52Å; W506-M520 HydrophobicContact CH2-CE 4.27Å; W506-M520 HydrophobicContact CZ2-CE 4.33Å; W506-M520 HydrophobicContact CZ3-CE 3.67Å; W506-M520 HydrophobicContact CZ3-CG 4.05Å; R510-M520 PolarHBondContact NH1-O 3.27Å; M520-F552 HydrophobicContact CE-CE1 4.03Å; M520-M556 HydrophobicContact CE-SD 3.96Å; M520-M561 HydrophobicContact CB-SD 4.45Å; M520-M561 HydrophobicContact SD-SD 4.28Å |
| 521 | L | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | trans | -135.3 | 141.3 | 177.6 | -62.1 | 176.5 | 0 | 0 | 0 | 110.5 | A509 Y516 G519 A526 M556 M561 V562 | A509-L521 VanDerWaalsContact C-CD2 3.46Å; A509-L521 HydrophobicContact CB-CD1 3.79Å; A509-L521 HydrophobicContact CB-CD2 3.73Å; A509-L521 HydrophobicContact CB-CG 4.42Å; A509-L521 WeakPolarHBondContact O-CD2 3.21Å; Y516-L521 VanDerWaalsContact CD1-C 3.48Å; Y516-L521 VanDerWaalsContact CE1-C 3.46Å; Y516-L521 VanDerWaalsContact CE1-O 3.24Å; Y516-L521 WeakPolarHBondContact CE1-O 3.39Å; G519-L521 VanDerWaalsContact C-N 3.31Å; G519-L521 PolarHBondContact O-N 3.29Å; L521-A526 HydrophobicContact CB-CB 4.45Å; L521-A526 HydrophobicContact CD1-CB 4.39Å; L521-M556 HydrophobicContact CD1-SD 3.85Å; L521-M561 HydrophobicContact CD1-CB 4.1Å; L521-V562 HydrophobicContact CD1-CG1 3.94Å | ||
| 522 | D | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | trans | -80.7 | 109.1 | 153.8 | 173.6 | 9.5 | 0 | 0 | 0 | 106.9 | C513 Y516 E524 A525 A526 | C513-D522 HydrophobicContact CB-CB 3.9Å; C513-D522 PolarHBondContact SG-N 3.49Å; Y516-D522 HydrophobicContact CD1-CB 4.04Å; Y516-D522 VanDerWaalsContact CD1-N 3.33Å; Y516-D522 HydrophobicContact CD2-CB 3.97Å; Y516-D522 HydrophobicContact CE1-CB 4.13Å; Y516-D522 HydrophobicContact CE2-CB 4.07Å; Y516-D522 HydrophobicContact CG-CB 3.94Å; D522-E524 VanDerWaalsContact C-N 3.25Å; D522-E524 PolarHBondContact O-N 3.14Å; D522-E524 PolarHBondContact OD1-N 2.96Å; D522-E524 VanDerWaalsContact OD1-N 3.17Å; D522-A525 HydrophobicContact CB-CB 4.21Å; D522-A525 PolarHBondContact O-N 2.79Å; D522-A526 WeakPolarHBondContact O-CB 3.46Å; D522-A526 PolarHBondContact O-N 2.81Å | ||
| 523 | S | 98.7 | Very high | 98.7 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -26.9 | -174.3 | -69.6 | 0 | 0 | 0 | 0 | 113.4 | N527 M561 | S523-N527 VanDerWaalsContact O-CB 3.23Å; S523-N527 WeakPolarHBondContact O-CB 3.38Å; S523-N527 VanDerWaalsContact O-CG 3.22Å; S523-N527 PolarHBondContact O-N 2.79Å; S523-N527 PolarHBondContact O-ND2 3.13Å; S523-M561 WeakPolarHBondContact CB-O 3.45Å; S523-M561 WeakPolarHBondContact OG-CA 3.33Å; S523-M561 PolarHBondContact OG-O 3.33Å |
| 524 | E | 98.6 | Very high | 98.7 | Very high | 154 Ų | 154 | 40.9 Ų | 40.9 | 72% | 0.72 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.4 | -50.1 | 175.7 | -65.4 | -62.6 | 125.5 | 0 | 0 | 109.7 | D522 A526 N527 Y528 | D522-E524 VanDerWaalsContact C-N 3.25Å; D522-E524 PolarHBondContact O-N 3.14Å; D522-E524 PolarHBondContact OD1-N 2.96Å; D522-E524 VanDerWaalsContact OD1-N 3.17Å; E524-A526 PolarHBondContact O-N 3.21Å; E524-N527 PolarHBondContact O-N 2.99Å; E524-Y528 PolarHBondContact O-N 2.97Å |
| 525 | A | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E36 C513 D522 Y528 W529 | E36-A525 HydrophobicContact CG-CB 4.1Å; C513-A525 HydrophobicContact CB-CB 4.16Å; D522-A525 HydrophobicContact CB-CB 4.21Å; D522-A525 PolarHBondContact O-N 2.79Å; A525-Y528 PolarHBondContact O-N 2.96Å; A525-W529 PolarHBondContact O-N 3.03Å |
| 526 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T512 L521 D522 E524 W529 L530 V562 | T512-A526 VanDerWaalsContact OG1-CA 3.31Å; T512-A526 WeakPolarHBondContact OG1-CA 3.28Å; L521-A526 HydrophobicContact CB-CB 4.45Å; L521-A526 HydrophobicContact CD1-CB 4.39Å; D522-A526 WeakPolarHBondContact O-CB 3.46Å; D522-A526 PolarHBondContact O-N 2.81Å; E524-A526 PolarHBondContact O-N 3.21Å; A526-W529 PolarHBondContact O-N 3.11Å; A526-L530 HydrophobicContact CB-CD1 4.3Å; A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 VanDerWaalsContact O-CG 3.24Å; A526-L530 WeakPolarHBondContact O-CG 3.36Å; A526-L530 PolarHBondContact O-N 2.67Å; A526-V562 HydrophobicContact CB-CG1 4.39Å |
| 527 | N | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 21% | 0.214 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.9 | -23.1 | -177.4 | -69.8 | -47.4 | 0 | 0 | 0 | 113.8 | S523 E524 V562 N563 | S523-N527 VanDerWaalsContact O-CB 3.23Å; S523-N527 WeakPolarHBondContact O-CB 3.38Å; S523-N527 VanDerWaalsContact O-CG 3.22Å; S523-N527 PolarHBondContact O-N 2.79Å; S523-N527 PolarHBondContact O-ND2 3.13Å; E524-N527 PolarHBondContact O-N 2.99Å; N527-V562 WeakPolarHBondContact OD1-CA 3.44Å; N527-N563 PolarHBondContact ND2-ND2 2.88Å; N527-N563 WeakPolarHBondContact OD1-CB 3.43Å; N527-N563 PolarHBondContact OD1-N 3.41Å |
| 528 | Y | 98.9 | Very high | 98 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 167.9 | 174.5 | -84.8 | 0 | 0 | 0 | 110.7 | E36 D37 E38 K42 N80 E524 A525 | E36-Y528 HydrophobicContact CB-CD1 3.9Å; E36-Y528 HydrophobicContact CB-CD2 4.1Å; E36-Y528 HydrophobicContact CB-CE1 4.3Å; E36-Y528 HydrophobicContact CB-CE2 4.45Å; E36-Y528 HydrophobicContact CB-CG 3.82Å; E36-Y528 HydrophobicContact CG-CD1 3.77Å; E36-Y528 HydrophobicContact CG-CE1 4.46Å; E36-Y528 HydrophobicContact CG-CG 3.92Å; D37-Y528 PolarHBondContact N-OH 3.49Å; D37-Y528 PolarHBondContact O-OH 2.94Å; D37-Y528 VanDerWaalsContact O-OH 3.12Å; E38-Y528 WeakPolarHBondContact OE1-CD2 3.26Å; K42-Y528 HydrophobicContact CB-CE1 3.75Å; K42-Y528 WeakPolarHBondContact CG-O 3.35Å; N80-Y528 PolarHBondContact ND2-OH 2.94Å; E524-Y528 PolarHBondContact O-N 2.97Å; A525-Y528 PolarHBondContact O-N 2.96Å |
| 529 | W | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.9 | -35.3 | -175.3 | -73.3 | 114.9 | 0 | 0 | 0 | 114.6 | V34 E36 K42 Y44 N80 L82 T512 A525 A526 | V34-W529 HydrophobicContact CB-CH2 4.22Å; V34-W529 HydrophobicContact CB-CZ2 4.18Å; V34-W529 HydrophobicContact CG2-CH2 3.82Å; V34-W529 HydrophobicContact CG2-CZ2 3.67Å; E36-W529 PolarHBondContact OE1-NE1 3.4Å; K42-W529 HydrophobicContact CB-CE3 4.06Å; K42-W529 HydrophobicContact CB-CZ3 3.87Å; K42-W529 HydrophobicContact CD-CE3 4.3Å; K42-W529 WeakPolarHBondContact CE-O 3.36Å; K42-W529 PolarHBondContact NZ-O 2.86Å; Y44-W529 HydrophobicContact CD2-CB 4.05Å; N80-W529 HydrophobicContact CB-CH2 4.46Å; N80-W529 WeakPolarHBondContact O-CZ3 3.38Å; L82-W529 HydrophobicContact CB-CD2 3.84Å; L82-W529 HydrophobicContact CB-CE3 3.51Å; L82-W529 HydrophobicContact CB-CH2 3.66Å; L82-W529 HydrophobicContact CB-CZ2 3.97Å; L82-W529 HydrophobicContact CB-CZ3 3.42Å; L82-W529 VanDerWaalsContact CB-CZ3 3.42Å; L82-W529 HydrophobicContact CD2-CB 4.24Å; L82-W529 HydrophobicContact CD2-CD2 3.63Å; L82-W529 HydrophobicContact CD2-CE3 4.09Å; L82-W529 HydrophobicContact CD2-CG 3.69Å; L82-W529 HydrophobicContact CG-CD2 4.37Å; L82-W529 HydrophobicContact CG-CE3 4.45Å; T512-W529 HydrophobicContact CG2-CB 3.64Å; T512-W529 HydrophobicContact CG2-CG 4.17Å; A525-W529 PolarHBondContact O-N 3.03Å; A526-W529 PolarHBondContact O-N 3.11Å |
| 530 | L | 98.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 152 | -174.6 | -66.1 | 176.2 | 0 | 0 | 0 | 112.4 | Y44 Y508 A509 T512 A526 V532 V562 | Y44-L530 HydrophobicContact CD2-CD2 4.17Å; Y44-L530 HydrophobicContact CE2-CD2 4Å; Y508-L530 HydrophobicContact CD2-CD2 3.57Å; Y508-L530 HydrophobicContact CE2-CD1 4.17Å; Y508-L530 HydrophobicContact CE2-CD2 3.78Å; A509-L530 HydrophobicContact CB-CD1 4Å; T512-L530 HydrophobicContact CG2-CG 4.35Å; A526-L530 HydrophobicContact CB-CD1 4.3Å; A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 VanDerWaalsContact O-CG 3.24Å; A526-L530 WeakPolarHBondContact O-CG 3.36Å; A526-L530 PolarHBondContact O-N 2.67Å; L530-V532 HydrophobicContact CD2-CG2 4.16Å; L530-V562 HydrophobicContact CD1-CG1 3.74Å |
| 531 | P | 98.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | S | Bend | cis | -72.8 | 160.3 | -4.3 | 31.7 | -36.5 | 0 | 0 | 0 | 112.3 | K42 D533 E566 P567 K569 | K42-P531 PolarHBondContact NZ-O 3.18Å; P531-D533 PolarHBondContact O-N 2.74Å; P531-E566 WeakPolarHBondContact CB-O 3.16Å; P531-P567 WeakPolarHBondContact CB-O 3.48Å; P531-K569 HydrophobicContact CB-CG 4.49Å; P531-K569 HydrophobicContact CG-CD 4.4Å; P531-K569 HydrophobicContact CG-CG 3.84Å |
| 532 | V | 99 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 128.3 | 170.9 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | Y44 L46 Y508 L530 I534 P567 A568 K569 | Y44-V532 HydrophobicContact CD2-CB 4.45Å; Y44-V532 HydrophobicContact CD2-CG2 3.82Å; Y44-V532 HydrophobicContact CE2-CG2 3.78Å; Y44-V532 HydrophobicContact CG-CG2 4.34Å; L46-V532 HydrophobicContact CB-CG1 3.71Å; L46-V532 HydrophobicContact CB-CG2 4.48Å; L46-V532 HydrophobicContact CD2-CG1 4.48Å; L46-V532 HydrophobicContact CD2-CG2 4Å; Y508-V532 HydrophobicContact CD2-CG2 4.04Å; L530-V532 HydrophobicContact CD2-CG2 4.16Å; V532-I534 VanDerWaalsContact CG1-C 3.48Å; V532-I534 WeakPolarHBondContact CG1-O 3.42Å; V532-P567 WeakPolarHBondContact CB-O 3.48Å; V532-P567 PolarHBondContact N-O 3.5Å; V532-A568 HydrophobicContact CB-CB 4.01Å; V532-A568 HydrophobicContact CG1-CB 4.45Å; V532-A568 CarbonylContact O-C 3.6Å; V532-A568 VanDerWaalsContact O-CA 3.3Å; V532-A568 WeakPolarHBondContact O-CA 3.44Å; V532-K569 PolarHBondContact O-N 2.89Å |
| 533 | D | 98.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -42.2 | -178 | -68.1 | -74.8 | 0 | 0 | 0 | 110.8 | K42 Y43 Y44 P531 K569 Q570 | K42-D533 IonicContact NZ-OD1 3.54Å; K42-D533 IonicContact NZ-OD2 2.86Å; K42-D533 PolarHBondContact NZ-OD2 3.29Å; Y43-D533 WeakPolarHBondContact CA-OD2 3.43Å; Y43-D533 HydrophobicContact CD1-CB 4.31Å; Y43-D533 HydrophobicContact CD2-CB 3.89Å; Y43-D533 HydrophobicContact CE1-CB 4.1Å; Y43-D533 HydrophobicContact CE2-CB 3.68Å; Y43-D533 HydrophobicContact CG-CB 4.22Å; Y44-D533 PolarHBondContact N-OD2 2.75Å; Y44-D533 PolarHBondContact O-N 3.44Å; P531-D533 PolarHBondContact O-N 2.74Å; D533-K569 WeakPolarHBondContact OD1-CE 3.08Å; D533-K569 IonicContact OD1-NZ 3.38Å; D533-K569 PolarHBondContact OD1-NZ 3.01Å; D533-Q570 WeakPolarHBondContact O-CB 3.32Å; D533-Q570 PolarHBondContact O-N 3.26Å |
| 534 | I | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.5 | 169.4 | -167.4 | 178.2 | 0 | 0 | 0 | 112 | Y43 Y44 C45 L46 I70 V532 I536 Q570 L572 | Y43-I534 HydrophobicContact CE1-CG2 3.82Å; Y43-I534 WeakPolarHBondContact OH-CG2 3.41Å; Y44-I534 PolarHBondContact O-N 3.13Å; C45-I534 HydrophobicContact CB-CG2 4.25Å; L46-I534 PolarHBondContact N-O 2.8Å; I70-I534 HydrophobicContact CD1-CD1 3.56Å; I70-I534 HydrophobicContact CG2-CG2 4.08Å; V532-I534 VanDerWaalsContact CG1-C 3.48Å; V532-I534 WeakPolarHBondContact CG1-O 3.42Å; I534-I536 HydrophobicContact CB-CD1 4.47Å; I534-I536 HydrophobicContact CD1-CD1 4.24Å; I534-I536 HydrophobicContact CD1-CG1 4.23Å; I534-I536 HydrophobicContact CG1-CD1 4.09Å; I534-I536 HydrophobicContact CG1-CG1 4.33Å; I534-I536 HydrophobicContact CG2-CD1 3.83Å; I534-Q570 WeakPolarHBondContact CA-O 3.31Å; I534-Q570 HydrophobicContact CB-CB 4.46Å; I534-Q570 HydrophobicContact CD1-CG 4.41Å; I534-Q570 HydrophobicContact CG1-CB 4.21Å; I534-Q570 HydrophobicContact CG1-CG 4.1Å; I534-L572 HydrophobicContact CD1-CB 4.05Å; I534-L572 HydrophobicContact CD1-CD2 4.36Å; I534-L572 HydrophobicContact CG1-CB 4.49Å |
| 535 | Y | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.5 | 172.8 | -166.6 | -153.1 | 0 | 0 | 0 | 111 | L46 M48 Y507 H545 L546 F549 Q570 L571 L572 | L46-Y535 HydrophobicContact CB-CD2 3.89Å; L46-Y535 HydrophobicContact CB-CE2 4.37Å; L46-Y535 HydrophobicContact CD2-CD2 3.7Å; L46-Y535 HydrophobicContact CD2-CE2 3.56Å; L46-Y535 HydrophobicContact CG-CD2 3.7Å; L46-Y535 HydrophobicContact CG-CE2 3.67Å; L46-Y535 CarbonylContact O-C 3.39Å; L46-Y535 WeakPolarHBondContact O-CA 2.99Å; L46-Y535 WeakPolarHBondContact O-CD2 3.46Å; M48-Y535 HydrophobicContact CE-CD1 4.48Å; M48-Y535 HydrophobicContact CE-CE1 3.84Å; M48-Y535 HydrophobicContact CG-CE1 4.35Å; M48-Y535 HydrophobicContact CG-CE2 3.79Å; M48-Y535 WeakPolarHBondContact CG-OH 3.22Å; Y507-Y535 WeakPolarHBondContact OH-CE2 3.35Å; Y507-Y535 PolarHBondContact OH-OH 3.12Å; Y535-H545 AromaticContact CE1-NE2 3.64Å; Y535-H545 AromaticContact CZ-NE2 3.6Å; Y535-H545 PolarHBondContact OH-CE1 3.48Å; Y535-H545 PolarHBondContact OH-NE2 3.24Å; Y535-L546 HydrophobicContact CD1-CD2 3.79Å; Y535-L546 HydrophobicContact CE1-CD2 3.65Å; Y535-F549 AromaticContact CD1-CE1 3.86Å; Y535-F549 HydrophobicContact CD1-CE1 3.86Å; Y535-F549 AromaticContact CD1-CZ 3.98Å; Y535-F549 HydrophobicContact CD1-CZ 3.98Å; Y535-F549 HydrophobicContact CE1-CD1 4.31Å; Y535-F549 AromaticContact CE1-CE1 3.97Å; Y535-F549 HydrophobicContact CE1-CE1 3.97Å; Y535-F549 HydrophobicContact CE1-CE2 4.37Å; Y535-F549 HydrophobicContact CE1-CZ 4.01Å; Y535-Q570 PolarHBondContact N-O 3.35Å; Y535-L571 HydrophobicContact CD1-CD1 4.1Å; Y535-L571 HydrophobicContact CG-CD1 4.45Å; Y535-L571 CarbonylContact O-C 3.52Å; Y535-L571 WeakPolarHBondContact O-CA 3.48Å; Y535-L572 PolarHBondContact O-N 2.99Å |
| 536 | I | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.7 | -176.9 | -52.7 | 88.8 | 0 | 0 | 0 | 109.9 | L46 S47 M48 N63 I66 I70 I534 L572 | L46-I536 WeakPolarHBondContact O-CD1 3.29Å; L46-I536 PolarHBondContact O-N 3.06Å; S47-I536 CarbonylContact C-O 3.43Å; S47-I536 WeakPolarHBondContact CA-O 3.3Å; M48-I536 PolarHBondContact N-O 2.93Å; N63-I536 VanDerWaalsContact OD1-CG2 3.26Å; N63-I536 WeakPolarHBondContact OD1-CG2 3.49Å; N63-I536 PolarHBondContact OD1-O 2.96Å; I66-I536 HydrophobicContact CB-CG2 4.24Å; I66-I536 HydrophobicContact CG2-CG1 4.12Å; I66-I536 HydrophobicContact CG2-CG2 3.87Å; I70-I536 HydrophobicContact CD1-CD1 4.49Å; I70-I536 HydrophobicContact CD1-CG1 4.5Å; I534-I536 HydrophobicContact CB-CD1 4.47Å; I534-I536 HydrophobicContact CD1-CD1 4.24Å; I534-I536 HydrophobicContact CD1-CG1 4.23Å; I534-I536 HydrophobicContact CG1-CD1 4.09Å; I534-I536 HydrophobicContact CG1-CG1 4.33Å; I534-I536 HydrophobicContact CG2-CD1 3.83Å; I536-L572 WeakPolarHBondContact CA-O 3.3Å; I536-L572 HydrophobicContact CG1-CB 4.28Å; I536-L572 HydrophobicContact CG1-CD2 4.36Å |
| 537 | G | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 170.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M48 L572 C573 Q574 | M48-G537 WeakPolarHBondContact SD-CA 3.14Å; G537-L572 PolarHBondContact N-O 3.02Å; G537-L572 VanDerWaalsContact N-O 3.11Å; G537-C573 CarbonylContact O-C 3.55Å; G537-C573 WeakPolarHBondContact O-CA 3.41Å; G537-Q574 VanDerWaalsContact C-NE2 3.29Å; G537-Q574 VanDerWaalsContact CA-OE1 3.23Å; G537-Q574 VanDerWaalsContact O-CD 3.27Å; G537-Q574 PolarHBondContact O-N 3.18Å; G537-Q574 PolarHBondContact O-OE1 3.07Å |
| 538 | G | 88.1 | Confident | 93.9 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E540 H541 Q574 | G538-E540 WeakPolarHBondContact CA-OE2 3.42Å; G538-E540 PolarHBondContact O-N 3.43Å; G538-H541 PolarHBondContact O-N 3.27Å; G538-H541 VanDerWaalsContact O-N 3.15Å; G538-Q574 VanDerWaalsContact CA-NE2 3.33Å; G538-Q574 VanDerWaalsContact N-NE2 3.11Å |
| 539 | I | 86 | Confident | 93.9 | Very high | 67 Ų | 67 | 15.3 Ų | 15.3 | 34% | 0.344 | 8% | 0.078 | S | C | . | . | G | 310 helix | trans | -62.9 | -21.2 | 176.7 | -164.1 | 163.3 | 0 | 0 | 0 | 112.7 | M227 H541 A542 C573 | M227-I539 HydrophobicContact CE-CD1 4.01Å; M227-I539 HydrophobicContact CE-CG1 3.84Å; I539-H541 PolarHBondContact O-N 2.72Å; I539-H541 VanDerWaalsContact O-N 3.08Å; I539-A542 VanDerWaalsContact O-CB 3.24Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 3.46Å; I539-A542 VanDerWaalsContact O-N 3.12Å; I539-C573 HydrophobicContact CB-CB 4.21Å |
| 540 | E | 81.7 | Confident | 93.9 | Very high | 88 Ų | 88 | 15.3 Ų | 15.3 | 41% | 0.411 | 8% | 0.078 | S | C | . | . | G | 310 helix | trans | -58.4 | -19.3 | 173.9 | 59.9 | -99.9 | -116.5 | 0 | 0 | 113.7 | G538 K627 | G538-E540 WeakPolarHBondContact CA-OE2 3.42Å; G538-E540 PolarHBondContact O-N 3.43Å; E540-K627 IonicContact OE1-NZ 2.61Å; E540-K627 PolarHBondContact OE1-NZ 2.82Å |
| 541 | H | 88.5 | Confident | 93.9 | Very high | 42 Ų | 42 | 14.8 Ų | 14.8 | 19% | 0.194 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -92.1 | 5.5 | -179.1 | -66.4 | -63.6 | 0 | 0 | 0 | 113.7 | M48 G538 I539 I543 H545 L546 | M48-H541 HydrophobicContact CE-CB 3.78Å; M48-H541 HydrophobicContact SD-CB 3.92Å; M48-H541 PolarHBondContact SD-CD2 3.28Å; G538-H541 PolarHBondContact O-N 3.27Å; G538-H541 VanDerWaalsContact O-N 3.15Å; I539-H541 PolarHBondContact O-N 2.72Å; I539-H541 VanDerWaalsContact O-N 3.08Å; H541-I543 PolarHBondContact O-N 2.59Å; H541-H545 HydrophobicContact CB-CB 4.04Å; H541-L546 WeakPolarHBondContact O-CB 3.23Å; H541-L546 WeakPolarHBondContact O-CG 3.42Å; H541-L546 PolarHBondContact O-N 3.2Å |
| 542 | A | 85.5 | Confident | 93.9 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -43 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V224 M227 Q228 I539 | V224-A542 HydrophobicContact CG1-CB 4.12Å; V224-A542 HydrophobicContact CG2-CB 4.22Å; M227-A542 HydrophobicContact CE-CB 3.5Å; M227-A542 HydrophobicContact SD-CB 4.1Å; Q228-A542 WeakPolarHBondContact CG-O 3.38Å; Q228-A542 PolarHBondContact NE2-O 2.72Å; I539-A542 VanDerWaalsContact O-CB 3.24Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 3.46Å; I539-A542 VanDerWaalsContact O-N 3.12Å |
| 543 | I | 85.2 | Confident | 93.9 | Very high | 42 Ų | 42 | 13.6 Ų | 13.6 | 22% | 0.215 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -13.6 | -173.4 | 59 | 174.1 | 0 | 0 | 0 | 113.9 | M227 W231 H541 L547 | M227-I543 HydrophobicContact CB-CG2 3.69Å; W231-I543 HydrophobicContact CB-CB 4.4Å; W231-I543 HydrophobicContact CB-CG2 4.18Å; W231-I543 HydrophobicContact CD2-CB 4.26Å; W231-I543 HydrophobicContact CD2-CD1 4.09Å; W231-I543 HydrophobicContact CE3-CD1 3.63Å; W231-I543 HydrophobicContact CG-CB 4.18Å; W231-I543 HydrophobicContact CG-CG2 4.46Å; W231-I543 HydrophobicContact CH2-CD1 4.25Å; W231-I543 HydrophobicContact CZ3-CD1 3.71Å; H541-I543 PolarHBondContact O-N 2.59Å; I543-L547 WeakPolarHBondContact O-CB 3.49Å |
| 544 | M | 85.2 | Confident | 93.9 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 7% | 0.069 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -97.6 | -176.4 | -72.7 | 179.8 | 87.9 | 0 | 0 | 110.2 | E177 Q178 F501 L546 L547 Y548 | E177-M544 HydrophobicContact CB-CB 4.48Å; E177-M544 HydrophobicContact CB-CE 3.74Å; E177-M544 HydrophobicContact CB-CG 3.31Å; E177-M544 HydrophobicContact CB-SD 4Å; E177-M544 HydrophobicContact CG-CG 4Å; E177-M544 WeakPolarHBondContact O-CE 3.4Å; Q178-M544 HydrophobicContact CB-CE 4.11Å; Q178-M544 HydrophobicContact CG-CE 3.24Å; F501-M544 HydrophobicContact CD2-CE 4.21Å; F501-M544 HydrophobicContact CE1-CB 4.41Å; F501-M544 HydrophobicContact CE2-CE 3.21Å; F501-M544 HydrophobicContact CE2-SD 4.47Å; F501-M544 HydrophobicContact CZ-CB 4.2Å; F501-M544 HydrophobicContact CZ-CE 3.49Å; F501-M544 VanDerWaalsContact CZ-CE 3.49Å; F501-M544 HydrophobicContact CZ-SD 4.21Å; M544-L546 VanDerWaalsContact C-N 3.28Å; M544-L546 PolarHBondContact O-N 3.18Å; M544-L547 WeakPolarHBondContact O-CA 3.47Å; M544-L547 WeakPolarHBondContact O-CB 3.47Å; M544-L547 PolarHBondContact O-N 3.24Å; M544-Y548 VanDerWaalsContact O-CD2 3.28Å; M544-Y548 WeakPolarHBondContact O-CD2 3.18Å; M544-Y548 PolarHBondContact O-N 3.45Å |
| 545 | H | 94.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.032 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -46.3 | -49.1 | 178.5 | 169 | 62.8 | 0 | 0 | 0 | 112.3 | F501 S504 Y535 H541 L547 Y548 F549 | F501-H545 HydrophobicContact CD1-CB 4.11Å; F501-H545 HydrophobicContact CE1-CB 3.86Å; S504-H545 PolarHBondContact O-CE1 3.48Å; Y535-H545 AromaticContact CE1-NE2 3.64Å; Y535-H545 AromaticContact CZ-NE2 3.6Å; Y535-H545 PolarHBondContact OH-CE1 3.48Å; Y535-H545 PolarHBondContact OH-NE2 3.24Å; H541-H545 HydrophobicContact CB-CB 4.04Å; H545-L547 VanDerWaalsContact C-N 3.25Å; H545-L547 PolarHBondContact O-N 2.76Å; H545-Y548 PolarHBondContact O-N 3.32Å; H545-F549 WeakPolarHBondContact O-CB 3.44Å; H545-F549 PolarHBondContact O-N 2.83Å |
| 546 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.4 | -21.8 | -178.6 | -73.5 | 169.7 | 0 | 0 | 0 | 113.9 | M48 W220 V224 Y535 H541 M544 F549 R550 L571 | M48-L546 HydrophobicContact CE-CD1 4.24Å; M48-L546 HydrophobicContact CE-CD2 4.01Å; M48-L546 HydrophobicContact CE-CG 4.05Å; W220-L546 HydrophobicContact CH2-CD2 4.09Å; W220-L546 HydrophobicContact CZ3-CB 4.49Å; V224-L546 HydrophobicContact CG1-CD1 4.28Å; Y535-L546 HydrophobicContact CD1-CD2 3.79Å; Y535-L546 HydrophobicContact CE1-CD2 3.65Å; H541-L546 WeakPolarHBondContact O-CB 3.23Å; H541-L546 WeakPolarHBondContact O-CG 3.42Å; H541-L546 PolarHBondContact O-N 3.2Å; M544-L546 VanDerWaalsContact C-N 3.28Å; M544-L546 PolarHBondContact O-N 3.18Å; L546-F549 HydrophobicContact CD2-CD1 4.11Å; L546-F549 HydrophobicContact CD2-CE1 4.47Å; L546-R550 WeakPolarHBondContact O-CD 3.34Å; L546-R550 WeakPolarHBondContact O-CG 3.33Å; L546-L571 HydrophobicContact CD1-CD1 4.15Å; L546-L571 HydrophobicContact CD1-CD2 3.6Å; L546-L571 HydrophobicContact CD2-CD1 4.09Å; L546-L571 HydrophobicContact CD2-CD2 4.39Å |
| 547 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -80 | -44.6 | 171.8 | -173.3 | 64.7 | 0 | 0 | 0 | 110.5 | I203 L210 I232 L425 I543 M544 H545 R550 F551 | I203-L547 HydrophobicContact CD1-CD2 4.41Å; I203-L547 HydrophobicContact CD1-CG 4.23Å; L210-L547 HydrophobicContact CB-CD1 4.49Å; L210-L547 HydrophobicContact CD1-CD1 4.23Å; L210-L547 HydrophobicContact CD2-CD1 4.34Å; I232-L547 HydrophobicContact CD1-CD1 4.14Å; I232-L547 HydrophobicContact CG1-CD1 4.37Å; L425-L547 HydrophobicContact CD1-CD2 3.92Å; I543-L547 WeakPolarHBondContact O-CB 3.49Å; M544-L547 WeakPolarHBondContact O-CA 3.47Å; M544-L547 WeakPolarHBondContact O-CB 3.47Å; M544-L547 PolarHBondContact O-N 3.24Å; H545-L547 VanDerWaalsContact C-N 3.25Å; H545-L547 PolarHBondContact O-N 2.76Å; L547-R550 PolarHBondContact O-N 3.19Å; L547-F551 WeakPolarHBondContact O-CB 3.44Å; L547-F551 PolarHBondContact O-N 3.38Å |
| 548 | Y | 97.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.5 | -57.5 | -46.4 | 0 | 0 | 0 | 112.5 | E177 I203 W428 F501 S505 M544 H545 R550 F551 F552 | E177-Y548 VanDerWaalsContact CD-OH 3.23Å; E177-Y548 PolarHBondContact OE2-OH 3.4Å; I203-Y548 HydrophobicContact CD1-CD1 4.06Å; I203-Y548 HydrophobicContact CD1-CE1 4.3Å; W428-Y548 HydrophobicContact CB-CE1 4.04Å; W428-Y548 AromaticContact CD1-CE1 3.81Å; W428-Y548 AromaticContact CD1-CZ 3.72Å; W428-Y548 AromaticContact CD2-CD1 3.8Å; W428-Y548 HydrophobicContact CD2-CD1 3.8Å; W428-Y548 AromaticContact CD2-CE1 3.63Å; W428-Y548 HydrophobicContact CD2-CE1 3.63Å; W428-Y548 HydrophobicContact CD2-CG 4.46Å; W428-Y548 AromaticContact CE2-CE1 3.95Å; W428-Y548 AromaticContact CE3-CD1 3.85Å; W428-Y548 HydrophobicContact CE3-CD1 3.85Å; W428-Y548 HydrophobicContact CE3-CE1 4.13Å; W428-Y548 HydrophobicContact CE3-CG 4.47Å; W428-Y548 HydrophobicContact CG-CD1 4.23Å; W428-Y548 AromaticContact CG-CE1 3.58Å; W428-Y548 HydrophobicContact CG-CE1 3.58Å; W428-Y548 AromaticContact CG-CZ 3.99Å; W428-Y548 HydrophobicContact CH2-CG 4.35Å; W428-Y548 HydrophobicContact CZ2-CD1 4.5Å; W428-Y548 HydrophobicContact CZ2-CD2 4.41Å; W428-Y548 HydrophobicContact CZ2-CG 4.36Å; W428-Y548 HydrophobicContact CZ3-CD1 4.2Å; W428-Y548 HydrophobicContact CZ3-CG 4.41Å; W428-Y548 AromaticContact NE1-CZ 3.75Å; F501-Y548 HydrophobicContact CB-CD2 3.7Å; F501-Y548 HydrophobicContact CB-CE2 4.03Å; F501-Y548 HydrophobicContact CD1-CD2 4.19Å; F501-Y548 HydrophobicContact CD2-CD2 4.41Å; F501-Y548 HydrophobicContact CD2-CE2 4.06Å; F501-Y548 AromaticContact CG-CD2 3.84Å; F501-Y548 HydrophobicContact CG-CD2 3.84Å; F501-Y548 AromaticContact CG-CE2 3.96Å; F501-Y548 HydrophobicContact CG-CE2 3.96Å; S505-Y548 WeakPolarHBondContact OG-CB 3.27Å; M544-Y548 VanDerWaalsContact O-CD2 3.28Å; M544-Y548 WeakPolarHBondContact O-CD2 3.18Å; M544-Y548 PolarHBondContact O-N 3.45Å; H545-Y548 PolarHBondContact O-N 3.32Å; Y548-R550 PolarHBondContact O-N 2.84Å; Y548-F551 PolarHBondContact O-N 3.22Å; Y548-F552 WeakPolarHBondContact O-CB 3.32Å; Y548-F552 PolarHBondContact O-N 3.17Å |
| 549 | F | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.2 | -47.4 | 172.5 | 168.2 | -116.5 | 0 | 0 | 0 | 112.7 | Y508 Y535 H545 L546 H553 P567 A568 | Y508-F549 AromaticContact CD1-CD2 3.53Å; Y508-F549 HydrophobicContact CD1-CD2 3.53Å; Y508-F549 AromaticContact CD1-CE2 3.26Å; Y508-F549 HydrophobicContact CD1-CE2 3.26Å; Y508-F549 AromaticContact CD2-CE2 3.9Å; Y508-F549 HydrophobicContact CD2-CE2 3.9Å; Y508-F549 AromaticContact CE1-CD2 3.43Å; Y508-F549 HydrophobicContact CE1-CD2 3.43Å; Y508-F549 VanDerWaalsContact CE1-CD2 3.43Å; Y508-F549 AromaticContact CE1-CE2 3.42Å; Y508-F549 HydrophobicContact CE1-CE2 3.42Å; Y508-F549 VanDerWaalsContact CE1-CE2 3.42Å; Y508-F549 HydrophobicContact CE2-CE2 4.1Å; Y508-F549 HydrophobicContact CG-CD2 4.25Å; Y508-F549 AromaticContact CG-CE2 3.5Å; Y508-F549 HydrophobicContact CG-CE2 3.5Å; Y508-F549 HydrophobicContact CG-CZ 4.46Å; Y508-F549 AromaticContact CZ-CE2 3.86Å; Y535-F549 AromaticContact CD1-CE1 3.86Å; Y535-F549 HydrophobicContact CD1-CE1 3.86Å; Y535-F549 AromaticContact CD1-CZ 3.98Å; Y535-F549 HydrophobicContact CD1-CZ 3.98Å; Y535-F549 HydrophobicContact CE1-CD1 4.31Å; Y535-F549 AromaticContact CE1-CE1 3.97Å; Y535-F549 HydrophobicContact CE1-CE1 3.97Å; Y535-F549 HydrophobicContact CE1-CE2 4.37Å; Y535-F549 HydrophobicContact CE1-CZ 4.01Å; H545-F549 WeakPolarHBondContact O-CB 3.44Å; H545-F549 PolarHBondContact O-N 2.83Å; L546-F549 HydrophobicContact CD2-CD1 4.11Å; L546-F549 HydrophobicContact CD2-CE1 4.47Å; F549-H553 PolarHBondContact O-N 3.3Å; F549-H553 VanDerWaalsContact O-N 3.12Å; F549-P567 HydrophobicContact CD1-CB 4.28Å; F549-P567 HydrophobicContact CD1-CG 3.42Å; F549-P567 VanDerWaalsContact CD1-CG 3.42Å; F549-P567 HydrophobicContact CD2-CB 4.24Å; F549-P567 HydrophobicContact CD2-CG 4.13Å; F549-P567 HydrophobicContact CE1-CB 3.71Å; F549-P567 HydrophobicContact CE1-CG 3.12Å; F549-P567 HydrophobicContact CE2-CB 3.63Å; F549-P567 HydrophobicContact CE2-CG 3.86Å; F549-P567 HydrophobicContact CG-CG 3.94Å; F549-P567 HydrophobicContact CZ-CB 3.33Å; F549-P567 HydrophobicContact CZ-CG 3.36Å; F549-A568 HydrophobicContact CE1-CB 3.97Å; F549-A568 HydrophobicContact CZ-CB 4.01Å |
| 550 | R | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -45.4 | 176.3 | -68.4 | 176.4 | 61.7 | -127.3 | -7.2 | 111.7 | L210 W220 L546 L547 Y548 F552 H553 K554 E566 P567 | L210-R550 HydrophobicContact CD2-CB 3.83Å; L210-R550 VanDerWaalsContact O-CZ 3.26Å; L210-R550 PolarHBondContact O-NH1 2.84Å; L210-R550 PolarHBondContact O-NH2 3.37Å; W220-R550 HydrophobicContact CH2-CG 4.07Å; L546-R550 WeakPolarHBondContact O-CD 3.34Å; L546-R550 WeakPolarHBondContact O-CG 3.33Å; L547-R550 PolarHBondContact O-N 3.19Å; Y548-R550 PolarHBondContact O-N 2.84Å; R550-F552 PolarHBondContact O-N 2.59Å; R550-H553 WeakPolarHBondContact O-CB 3.41Å; R550-H553 PolarHBondContact O-N 3.13Å; R550-K554 WeakPolarHBondContact O-CG 3.17Å; R550-K554 PolarHBondContact O-N 3.22Å; R550-K554 VanDerWaalsContact O-N 3.14Å; R550-E566 WeakPolarHBondContact CD-OE2 3.11Å; R550-E566 VanDerWaalsContact CG-OE2 3.28Å; R550-E566 WeakPolarHBondContact CG-OE2 3.46Å; R550-E566 IonicContact CZ-OE1 2.59Å; R550-E566 IonicContact CZ-OE2 3.14Å; R550-E566 IonicContact NE-OE1 3.23Å; R550-E566 PolarHBondContact NE-OE1 3.27Å; R550-E566 IonicContact NE-OE2 2.75Å; R550-E566 PolarHBondContact NE-OE2 3.3Å; R550-E566 IonicContact NH2-OE1 3.46Å; R550-E566 PolarHBondContact NH2-OE1 3.03Å; R550-E566 IonicContact NH2-OE2 2.67Å; R550-P567 HydrophobicContact CG-CG 4.26Å |
| 551 | F | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 178 | 170.1 | -126 | 0 | 0 | 0 | 111.9 | I201 I203 Y206 L210 W428 L547 Y548 H553 K554 L555 | I201-F551 HydrophobicContact CB-CE1 4.44Å; I201-F551 HydrophobicContact CG2-CE1 3.62Å; I201-F551 HydrophobicContact CG2-CZ 3.61Å; I203-F551 HydrophobicContact CB-CD1 4.04Å; I203-F551 HydrophobicContact CB-CD2 4.32Å; I203-F551 HydrophobicContact CB-CE1 3.86Å; I203-F551 HydrophobicContact CB-CE2 4.17Å; I203-F551 HydrophobicContact CB-CG 4.26Å; I203-F551 HydrophobicContact CB-CZ 3.92Å; I203-F551 HydrophobicContact CD1-CB 3.77Å; I203-F551 HydrophobicContact CD1-CD1 3.75Å; I203-F551 HydrophobicContact CD1-CD2 4.38Å; I203-F551 HydrophobicContact CD1-CE1 4.43Å; I203-F551 HydrophobicContact CD1-CG 3.71Å; I203-F551 HydrophobicContact CG1-CB 4.07Å; I203-F551 HydrophobicContact CG1-CD1 3.79Å; I203-F551 HydrophobicContact CG1-CD2 3.76Å; I203-F551 HydrophobicContact CG1-CE1 4.12Å; I203-F551 HydrophobicContact CG1-CE2 4.11Å; I203-F551 HydrophobicContact CG1-CG 3.58Å; I203-F551 HydrophobicContact CG1-CZ 4.26Å; Y206-F551 HydrophobicContact CD2-CD2 4.24Å; Y206-F551 AromaticContact CD2-CE2 3.62Å; Y206-F551 HydrophobicContact CD2-CE2 3.62Å; Y206-F551 HydrophobicContact CE2-CE2 4.2Å; Y206-F551 HydrophobicContact CG-CD2 4.12Å; Y206-F551 AromaticContact CG-CE2 3.97Å; Y206-F551 HydrophobicContact CG-CE2 3.97Å; L210-F551 HydrophobicContact CD1-CB 4.19Å; L210-F551 HydrophobicContact CD1-CD2 4.45Å; L210-F551 HydrophobicContact CD2-CB 4.26Å; W428-F551 HydrophobicContact CE3-CD1 4.36Å; W428-F551 HydrophobicContact CE3-CE1 4.28Å; L547-F551 WeakPolarHBondContact O-CB 3.44Å; L547-F551 PolarHBondContact O-N 3.38Å; Y548-F551 PolarHBondContact O-N 3.22Å; F551-H553 VanDerWaalsContact C-N 3.32Å; F551-H553 PolarHBondContact O-N 2.83Å; F551-K554 WeakPolarHBondContact O-CB 3.42Å; F551-K554 PolarHBondContact O-N 2.99Å; F551-K554 VanDerWaalsContact O-N 3.17Å; F551-L555 HydrophobicContact CD1-CD1 4.27Å; F551-L555 HydrophobicContact CD2-CD1 4.47Å; F551-L555 HydrophobicContact CD2-CG 4.19Å; F551-L555 HydrophobicContact CE1-CD1 3.69Å; F551-L555 HydrophobicContact CE1-CG 4.41Å; F551-L555 HydrophobicContact CE2-CD1 3.9Å; F551-L555 HydrophobicContact CE2-CD2 3.77Å; F551-L555 HydrophobicContact CE2-CG 3.73Å; F551-L555 HydrophobicContact CZ-CD1 3.48Å; F551-L555 VanDerWaalsContact CZ-CD1 3.48Å; F551-L555 HydrophobicContact CZ-CD2 3.99Å; F551-L555 HydrophobicContact CZ-CG 3.87Å; F551-L555 WeakPolarHBondContact O-CG 3.37Å; F551-L555 PolarHBondContact O-N 3.09Å |
| 552 | F | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.6 | -35.4 | 179.6 | -135.4 | -76.6 | 0 | 0 | 0 | 112.1 | F147 W428 M502 S505 W506 M520 Y548 R550 K554 L555 M556 | F147-F552 HydrophobicContact CD1-CD1 4.42Å; F147-F552 AromaticContact CD1-CE1 3.41Å; F147-F552 HydrophobicContact CD1-CE1 3.41Å; F147-F552 VanDerWaalsContact CD1-CE1 3.41Å; F147-F552 AromaticContact CD1-CZ 3.61Å; F147-F552 HydrophobicContact CD1-CZ 3.61Å; F147-F552 HydrophobicContact CE1-CD1 4.06Å; F147-F552 AromaticContact CE1-CE1 3.47Å; F147-F552 HydrophobicContact CE1-CE1 3.47Å; F147-F552 VanDerWaalsContact CE1-CE1 3.47Å; F147-F552 AromaticContact CE1-CZ 3.97Å; F147-F552 HydrophobicContact CE1-CZ 3.97Å; F147-F552 HydrophobicContact CG-CE1 4.5Å; W428-F552 HydrophobicContact CZ3-CD2 4.3Å; W428-F552 HydrophobicContact CZ3-CE2 4.49Å; M502-F552 HydrophobicContact SD-CE2 3.66Å; M502-F552 HydrophobicContact SD-CZ 4.17Å; S505-F552 WeakPolarHBondContact O-CB 3.28Å; W506-F552 HydrophobicContact CB-CD1 3.8Å; W506-F552 HydrophobicContact CB-CE1 4.02Å; W506-F552 HydrophobicContact CB-CG 4.42Å; W506-F552 HydrophobicContact CG-CD1 4.41Å; W506-F552 HydrophobicContact CG-CE1 4.16Å; M520-F552 HydrophobicContact CE-CE1 4.03Å; Y548-F552 WeakPolarHBondContact O-CB 3.32Å; Y548-F552 PolarHBondContact O-N 3.17Å; R550-F552 PolarHBondContact O-N 2.59Å; F552-K554 VanDerWaalsContact C-N 3.32Å; F552-K554 PolarHBondContact O-N 3.26Å; F552-L555 PolarHBondContact O-N 3.48Å; F552-M556 HydrophobicContact CD1-CE 4.45Å; F552-M556 HydrophobicContact CD1-CG 4.13Å; F552-M556 HydrophobicContact CD1-SD 4.3Å; F552-M556 WeakPolarHBondContact O-CG 3.45Å; F552-M556 PolarHBondContact O-N 3.17Å |
| 553 | H | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 172.2 | -165.1 | 75.3 | 0 | 0 | 0 | 111.7 | Y508 F549 R550 F551 L555 M556 R557 S564 P567 | Y508-H553 AromaticContact CE2-ND1 3.64Å; Y508-H553 AromaticContact CZ-ND1 3.58Å; Y508-H553 WeakPolarHBondContact OH-CA 3.49Å; Y508-H553 WeakPolarHBondContact OH-CB 3.41Å; Y508-H553 VanDerWaalsContact OH-CG 3.28Å; Y508-H553 PolarHBondContact OH-ND1 3.43Å; F549-H553 PolarHBondContact O-N 3.3Å; F549-H553 VanDerWaalsContact O-N 3.12Å; R550-H553 WeakPolarHBondContact O-CB 3.41Å; R550-H553 PolarHBondContact O-N 3.13Å; F551-H553 VanDerWaalsContact C-N 3.32Å; F551-H553 PolarHBondContact O-N 2.83Å; H553-L555 PolarHBondContact O-N 2.9Å; H553-M556 PolarHBondContact O-N 3.15Å; H553-R557 WeakPolarHBondContact O-CB 3.48Å; H553-R557 PolarHBondContact O-N 3.38Å; H553-S564 PolarHBondContact CD2-O 3.22Å; H553-S564 VanDerWaalsContact CD2-O 3.25Å; H553-S564 PolarHBondContact CE1-OG 3.04Å; H553-S564 PolarHBondContact NE2-O 2.88Å; H553-S564 PolarHBondContact NE2-OG 3.3Å; H553-P567 HydrophobicContact CB-CB 3.85Å; H553-P567 HydrophobicContact CB-CG 3.97Å |
| 554 | K | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.3 | -66.9 | 174.7 | 177.6 | -52.3 | 0 | 111.8 | Y206 E209 L210 D213 R550 F551 F552 M556 R557 D558 D565 E566 | Y206-K554 HydrophobicContact CD1-CB 4.08Å; Y206-K554 HydrophobicContact CD1-CD 4.44Å; Y206-K554 HydrophobicContact CE1-CB 4.1Å; E209-K554 HydrophobicContact CG-CD 4.19Å; E209-K554 WeakPolarHBondContact OE1-CD 3.5Å; E209-K554 IonicContact OE1-NZ 2.79Å; E209-K554 PolarHBondContact OE1-NZ 3.19Å; L210-K554 HydrophobicContact CD2-CD 4.05Å; L210-K554 HydrophobicContact CG-CD 4.46Å; D213-K554 IonicContact OD2-NZ 3.95Å; D213-K554 PolarHBondContact OD2-NZ 2.94Å; R550-K554 WeakPolarHBondContact O-CG 3.17Å; R550-K554 PolarHBondContact O-N 3.22Å; R550-K554 VanDerWaalsContact O-N 3.14Å; F551-K554 WeakPolarHBondContact O-CB 3.42Å; F551-K554 PolarHBondContact O-N 2.99Å; F551-K554 VanDerWaalsContact O-N 3.17Å; F552-K554 VanDerWaalsContact C-N 3.32Å; F552-K554 PolarHBondContact O-N 3.26Å; K554-M556 PolarHBondContact O-N 2.57Å; K554-R557 WeakPolarHBondContact O-CB 3.17Å; K554-R557 PolarHBondContact O-N 2.86Å; K554-D558 WeakPolarHBondContact O-CB 3.49Å; K554-D558 PolarHBondContact O-N 3.25Å; K554-D565 PolarHBondContact NZ-O 3.44Å; K554-E566 WeakPolarHBondContact CE-OE1 3.49Å; K554-E566 IonicContact NZ-OE1 2.75Å; K554-E566 PolarHBondContact NZ-OE1 3.15Å |
| 555 | L | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 171.9 | -67.2 | -179.5 | 0 | 0 | 0 | 112.2 | F147 L151 L156 Y206 F551 F552 H553 D558 A559 | F147-L555 HydrophobicContact CE1-CB 3.87Å; F147-L555 HydrophobicContact CE1-CD1 4.27Å; F147-L555 HydrophobicContact CZ-CB 3.84Å; L151-L555 HydrophobicContact CD1-CD1 3.86Å; L151-L555 HydrophobicContact CD2-CD1 4.06Å; L151-L555 HydrophobicContact CD2-CD2 4.01Å; L151-L555 HydrophobicContact CD2-CG 4.44Å; L156-L555 HydrophobicContact CD1-CD2 3.84Å; Y206-L555 HydrophobicContact CD2-CD2 4.45Å; Y206-L555 HydrophobicContact CE2-CD2 3.71Å; F551-L555 HydrophobicContact CD1-CD1 4.27Å; F551-L555 HydrophobicContact CD2-CD1 4.47Å; F551-L555 HydrophobicContact CD2-CG 4.19Å; F551-L555 HydrophobicContact CE1-CD1 3.69Å; F551-L555 HydrophobicContact CE1-CG 4.41Å; F551-L555 HydrophobicContact CE2-CD1 3.9Å; F551-L555 HydrophobicContact CE2-CD2 3.77Å; F551-L555 HydrophobicContact CE2-CG 3.73Å; F551-L555 HydrophobicContact CZ-CD1 3.48Å; F551-L555 VanDerWaalsContact CZ-CD1 3.48Å; F551-L555 HydrophobicContact CZ-CD2 3.99Å; F551-L555 HydrophobicContact CZ-CG 3.87Å; F551-L555 WeakPolarHBondContact O-CG 3.37Å; F551-L555 PolarHBondContact O-N 3.09Å; F552-L555 PolarHBondContact O-N 3.48Å; H553-L555 PolarHBondContact O-N 2.9Å; L555-D558 PolarHBondContact O-N 3.38Å; L555-A559 WeakPolarHBondContact O-CB 3.5Å; L555-A559 PolarHBondContact O-N 3.34Å |
| 556 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 177.5 | -71.7 | -173.1 | -61.8 | 0 | 0 | 111.7 | F147 W506 Y508 A509 M520 L521 F552 H553 K554 D558 A559 G560 M561 V562 | F147-M556 HydrophobicContact CE1-CG 4.5Å; F147-M556 HydrophobicContact CZ-CG 4.21Å; W506-M556 HydrophobicContact CB-CE 4.2Å; W506-M556 HydrophobicContact CB-SD 4.15Å; Y508-M556 HydrophobicContact CE1-CE 4.19Å; Y508-M556 WeakPolarHBondContact OH-CE 3.12Å; A509-M556 HydrophobicContact CB-CE 3.97Å; A509-M556 HydrophobicContact CB-SD 4.29Å; M520-M556 HydrophobicContact CE-SD 3.96Å; L521-M556 HydrophobicContact CD1-SD 3.85Å; F552-M556 HydrophobicContact CD1-CE 4.45Å; F552-M556 HydrophobicContact CD1-CG 4.13Å; F552-M556 HydrophobicContact CD1-SD 4.3Å; F552-M556 WeakPolarHBondContact O-CG 3.45Å; F552-M556 PolarHBondContact O-N 3.17Å; H553-M556 PolarHBondContact O-N 3.15Å; K554-M556 PolarHBondContact O-N 2.57Å; M556-D558 VanDerWaalsContact C-N 3.34Å; M556-A559 CarbonylContact O-C 3.6Å; M556-A559 PolarHBondContact O-N 3.36Å; M556-G560 PolarHBondContact O-N 3.19Å; M556-M561 HydrophobicContact CB-CB 4.34Å; M556-M561 HydrophobicContact CG-SD 4.37Å; M556-M561 WeakPolarHBondContact O-CB 3.42Å; M556-M561 PolarHBondContact O-N 3.49Å; M556-V562 HydrophobicContact CB-CG2 4.14Å |
| 557 | R | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 23 Ų | 23 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.2 | -177.6 | -158.1 | 63.6 | -158 | -11.4 | 110.6 | E209 H553 K554 A559 G560 V562 D565 | E209-R557 IonicContact OE1-CZ 3.99Å; E209-R557 VanDerWaalsContact OE1-CZ 3.22Å; E209-R557 IonicContact OE1-NH1 3.52Å; E209-R557 PolarHBondContact OE1-NH1 3.37Å; E209-R557 IonicContact OE1-NH2 2.78Å; E209-R557 PolarHBondContact OE1-NH2 3.08Å; E209-R557 IonicContact OE2-NH2 3.38Å; E209-R557 PolarHBondContact OE2-NH2 3.49Å; H553-R557 WeakPolarHBondContact O-CB 3.48Å; H553-R557 PolarHBondContact O-N 3.38Å; K554-R557 WeakPolarHBondContact O-CB 3.17Å; K554-R557 PolarHBondContact O-N 2.86Å; R557-A559 PolarHBondContact O-N 3.39Å; R557-G560 WeakPolarHBondContact O-CA 3.34Å; R557-G560 PolarHBondContact O-N 2.87Å; R557-V562 WeakPolarHBondContact CA-O 3.19Å; R557-V562 HydrophobicContact CB-CG2 3.83Å; R557-D565 IonicContact CZ-OD1 2.79Å; R557-D565 IonicContact NH1-OD1 2.82Å; R557-D565 PolarHBondContact NH1-OD1 3.03Å |
| 558 | D | 98.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 23.1 Ų | 23.1 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -73.1 | -13 | -179.1 | -65.2 | -0.5 | 0 | 0 | 0 | 113 | Y206 K554 L555 M556 G560 | Y206-D558 WeakPolarHBondContact CE1-OD2 3.26Å; Y206-D558 VanDerWaalsContact CZ-OD2 3.26Å; Y206-D558 PolarHBondContact OH-OD2 3.44Å; K554-D558 WeakPolarHBondContact O-CB 3.49Å; K554-D558 PolarHBondContact O-N 3.25Å; L555-D558 PolarHBondContact O-N 3.38Å; M556-D558 VanDerWaalsContact C-N 3.34Å; D558-G560 VanDerWaalsContact C-N 3.33Å |
| 559 | A | 98.3 | Very high | 98.8 | Very high | 32 Ų | 32 | 27.6 Ų | 27.6 | 26% | 0.264 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.8 | 166 | 0 | 0 | 0 | 0 | 0 | 113.2 | F147 L555 M556 R557 M561 | F147-A559 HydrophobicContact CE2-CB 3.88Å; F147-A559 HydrophobicContact CZ-CB 4.43Å; L555-A559 WeakPolarHBondContact O-CB 3.5Å; L555-A559 PolarHBondContact O-N 3.34Å; M556-A559 CarbonylContact O-C 3.6Å; M556-A559 PolarHBondContact O-N 3.36Å; R557-A559 PolarHBondContact O-N 3.39Å; A559-M561 HydrophobicContact CB-CE 4.08Å; A559-M561 HydrophobicContact CB-CG 4.08Å; A559-M561 HydrophobicContact CB-SD 4.25Å |
| 560 | G | 98.3 | Very high | 98.8 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 57% | 0.567 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 17.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M556 R557 D558 | M556-G560 PolarHBondContact O-N 3.19Å; R557-G560 WeakPolarHBondContact O-CA 3.34Å; R557-G560 PolarHBondContact O-N 2.87Å; D558-G560 VanDerWaalsContact C-N 3.33Å |
| 561 | M | 98.7 | Very high | 98.7 | Very high | 33 Ų | 33 | 30 Ų | 30 | 16% | 0.163 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -89 | -27.2 | -174.8 | -59.2 | 177.3 | 176.4 | 0 | 0 | 113.3 | F147 M520 L521 S523 M556 A559 | F147-M561 HydrophobicContact CD2-CE 4.02Å; F147-M561 HydrophobicContact CE2-CE 3.99Å; F147-M561 HydrophobicContact CE2-SD 4.25Å; M520-M561 HydrophobicContact CB-SD 4.45Å; M520-M561 HydrophobicContact SD-SD 4.28Å; L521-M561 HydrophobicContact CD1-CB 4.1Å; S523-M561 WeakPolarHBondContact CB-O 3.45Å; S523-M561 WeakPolarHBondContact OG-CA 3.33Å; S523-M561 PolarHBondContact OG-O 3.33Å; M556-M561 HydrophobicContact CB-CB 4.34Å; M556-M561 HydrophobicContact CG-SD 4.37Å; M556-M561 WeakPolarHBondContact O-CB 3.42Å; M556-M561 PolarHBondContact O-N 3.49Å; A559-M561 HydrophobicContact CB-CE 4.08Å; A559-M561 HydrophobicContact CB-CG 4.08Å; A559-M561 HydrophobicContact CB-SD 4.25Å |
| 562 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | trans | -137.1 | 155.6 | 179.5 | -60 | 0 | 0 | 0 | 0 | 111 | L521 A526 N527 L530 M556 R557 | L521-V562 HydrophobicContact CD1-CG1 3.94Å; A526-V562 HydrophobicContact CB-CG1 4.39Å; N527-V562 WeakPolarHBondContact OD1-CA 3.44Å; L530-V562 HydrophobicContact CD1-CG1 3.74Å; M556-V562 HydrophobicContact CB-CG2 4.14Å; R557-V562 WeakPolarHBondContact CA-O 3.19Å; R557-V562 HydrophobicContact CB-CG2 3.83Å | ||
| 563 | N | 98.8 | Very high | 98.5 | Very high | 131 Ų | 131 | 31 Ų | 31 | 70% | 0.701 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -110.4 | 18.1 | -172.6 | -66.4 | -12.1 | 0 | 0 | 0 | 114 | N527 | N527-N563 PolarHBondContact ND2-ND2 2.88Å; N527-N563 WeakPolarHBondContact OD1-CB 3.43Å; N527-N563 PolarHBondContact OD1-N 3.41Å |
| 564 | S | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 32 Ų | 32 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | trans | -123.2 | 153.1 | 179.1 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | H553 | H553-S564 PolarHBondContact CD2-O 3.22Å; H553-S564 VanDerWaalsContact CD2-O 3.25Å; H553-S564 PolarHBondContact CE1-OG 3.04Å; H553-S564 PolarHBondContact NE2-O 2.88Å; H553-S564 PolarHBondContact NE2-OG 3.3Å | ||
| 565 | D | 98.8 | Very high | 97.7 | Very high | 66 Ų | 66 | 32.4 Ų | 32.4 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -82.8 | -30.9 | -179.9 | -73 | -21.6 | 0 | 0 | 0 | 113.2 | K216 K554 R557 | K216-D565 IonicContact NZ-OD2 3.92Å; K216-D565 PolarHBondContact NZ-OD2 3Å; K554-D565 PolarHBondContact NZ-O 3.44Å; R557-D565 IonicContact CZ-OD1 2.79Å; R557-D565 IonicContact NH1-OD1 2.82Å; R557-D565 PolarHBondContact NH1-OD1 3.03Å |
| 566 | E | 98.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -130.8 | 136.7 | -175.2 | -71.8 | -66.2 | 159.5 | 0 | 0 | 109.6 | D213 L217 P531 R550 K554 A568 | D213-E566 HydrophobicContact CB-CG 4.37Å; D213-E566 VanDerWaalsContact CB-OE1 3.22Å; D213-E566 WeakPolarHBondContact CB-OE1 3.33Å; L217-E566 HydrophobicContact CD1-CG 4.47Å; L217-E566 HydrophobicContact CD2-CB 3.94Å; L217-E566 HydrophobicContact CD2-CG 3.87Å; L217-E566 HydrophobicContact CG-CG 4.34Å; P531-E566 WeakPolarHBondContact CB-O 3.16Å; R550-E566 WeakPolarHBondContact CD-OE2 3.11Å; R550-E566 VanDerWaalsContact CG-OE2 3.28Å; R550-E566 WeakPolarHBondContact CG-OE2 3.46Å; R550-E566 IonicContact CZ-OE1 2.59Å; R550-E566 IonicContact CZ-OE2 3.14Å; R550-E566 IonicContact NE-OE1 3.23Å; R550-E566 PolarHBondContact NE-OE1 3.27Å; R550-E566 IonicContact NE-OE2 2.75Å; R550-E566 PolarHBondContact NE-OE2 3.3Å; R550-E566 IonicContact NH2-OE1 3.46Å; R550-E566 PolarHBondContact NH2-OE1 3.03Å; R550-E566 IonicContact NH2-OE2 2.67Å; K554-E566 WeakPolarHBondContact CE-OE1 3.49Å; K554-E566 IonicContact NZ-OE1 2.75Å; K554-E566 PolarHBondContact NZ-OE1 3.15Å; E566-A568 VanDerWaalsContact C-N 3.34Å; E566-A568 PolarHBondContact O-N 3.18Å |
| 567 | P | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -75.1 | -18.9 | -171.7 | 29.4 | -37.9 | 0 | 0 | 0 | 114.6 | Y508 P531 V532 F549 R550 H553 | Y508-P567 HydrophobicContact CD2-CB 4.3Å; Y508-P567 HydrophobicContact CE1-CB 4.42Å; Y508-P567 HydrophobicContact CE2-CB 3.54Å; P531-P567 WeakPolarHBondContact CB-O 3.48Å; V532-P567 WeakPolarHBondContact CB-O 3.48Å; V532-P567 PolarHBondContact N-O 3.5Å; F549-P567 HydrophobicContact CD1-CB 4.28Å; F549-P567 HydrophobicContact CD1-CG 3.42Å; F549-P567 VanDerWaalsContact CD1-CG 3.42Å; F549-P567 HydrophobicContact CD2-CB 4.24Å; F549-P567 HydrophobicContact CD2-CG 4.13Å; F549-P567 HydrophobicContact CE1-CB 3.71Å; F549-P567 HydrophobicContact CE1-CG 3.12Å; F549-P567 HydrophobicContact CE2-CB 3.63Å; F549-P567 HydrophobicContact CE2-CG 3.86Å; F549-P567 HydrophobicContact CG-CG 3.94Å; F549-P567 HydrophobicContact CZ-CB 3.33Å; F549-P567 HydrophobicContact CZ-CG 3.36Å; R550-P567 HydrophobicContact CG-CG 4.26Å; H553-P567 HydrophobicContact CB-CB 3.85Å; H553-P567 HydrophobicContact CB-CG 3.97Å |
| 568 | A | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 128.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W220 V532 F549 E566 | W220-A568 HydrophobicContact CZ2-CB 4.35Å; W220-A568 PolarHBondContact NE1-O 3.26Å; V532-A568 HydrophobicContact CB-CB 4.01Å; V532-A568 HydrophobicContact CG1-CB 4.45Å; V532-A568 CarbonylContact O-C 3.6Å; V532-A568 VanDerWaalsContact O-CA 3.3Å; V532-A568 WeakPolarHBondContact O-CA 3.44Å; F549-A568 HydrophobicContact CE1-CB 3.97Å; F549-A568 HydrophobicContact CZ-CB 4.01Å; E566-A568 VanDerWaalsContact C-N 3.34Å; E566-A568 PolarHBondContact O-N 3.18Å |
| 569 | K | 98.7 | Very high | 96.1 | Very high | 96 Ų | 96 | 31.8 Ų | 31.8 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -53.2 | 178.5 | -61.2 | 179.9 | -175.6 | 164.8 | 0 | 111.6 | P531 V532 D533 | P531-K569 HydrophobicContact CB-CG 4.49Å; P531-K569 HydrophobicContact CG-CD 4.4Å; P531-K569 HydrophobicContact CG-CG 3.84Å; V532-K569 PolarHBondContact O-N 2.89Å; D533-K569 WeakPolarHBondContact OD1-CE 3.08Å; D533-K569 IonicContact OD1-NZ 3.38Å; D533-K569 PolarHBondContact OD1-NZ 3.01Å |
| 570 | Q | 98.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140 | -179.2 | -177.1 | 171 | 10.7 | 0 | 0 | 111 | H219 D533 I534 Y535 Q728 | H219-Q570 HydrophobicContact CB-CB 3.82Å; H219-Q570 HydrophobicContact CB-CG 3.92Å; D533-Q570 WeakPolarHBondContact O-CB 3.32Å; D533-Q570 PolarHBondContact O-N 3.26Å; I534-Q570 WeakPolarHBondContact CA-O 3.31Å; I534-Q570 HydrophobicContact CB-CB 4.46Å; I534-Q570 HydrophobicContact CD1-CG 4.41Å; I534-Q570 HydrophobicContact CG1-CB 4.21Å; I534-Q570 HydrophobicContact CG1-CG 4.1Å; Y535-Q570 PolarHBondContact N-O 3.35Å; Q570-Q728 VanDerWaalsContact NE2-CD 3.34Å |
| 571 | L | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.3 | 173 | 175.9 | 66.6 | 0 | 0 | 0 | 109.3 | H219 W220 P221 V224 Y535 L546 | H219-L571 PolarHBondContact O-N 3.08Å; W220-L571 HydrophobicContact CD2-CB 3.74Å; W220-L571 HydrophobicContact CD2-CD2 3.85Å; W220-L571 HydrophobicContact CD2-CG 4.46Å; W220-L571 HydrophobicContact CE3-CB 4.32Å; W220-L571 HydrophobicContact CE3-CD2 3.53Å; W220-L571 HydrophobicContact CG-CB 3.82Å; W220-L571 HydrophobicContact CH2-CD2 4.31Å; W220-L571 HydrophobicContact CZ2-CB 4.48Å; W220-L571 HydrophobicContact CZ3-CD2 3.79Å; P221-L571 WeakPolarHBondContact CD-O 3.24Å; V224-L571 HydrophobicContact CB-CD2 4.28Å; V224-L571 HydrophobicContact CG1-CD2 3.91Å; V224-L571 HydrophobicContact CG2-CD2 4.03Å; Y535-L571 HydrophobicContact CD1-CD1 4.1Å; Y535-L571 HydrophobicContact CG-CD1 4.45Å; Y535-L571 CarbonylContact O-C 3.52Å; Y535-L571 WeakPolarHBondContact O-CA 3.48Å; L546-L571 HydrophobicContact CD1-CD1 4.15Å; L546-L571 HydrophobicContact CD1-CD2 3.6Å; L546-L571 HydrophobicContact CD2-CD1 4.09Å; L546-L571 HydrophobicContact CD2-CD2 4.39Å |
| 572 | L | 97.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.073 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 103.9 | 172.8 | 177.5 | 59.3 | 0 | 0 | 0 | 109.3 | I66 I70 I534 Y535 I536 G537 Q574 A660 | I66-L572 HydrophobicContact CG2-CD2 3.51Å; I70-L572 HydrophobicContact CD1-CD2 4.39Å; I534-L572 HydrophobicContact CD1-CB 4.05Å; I534-L572 HydrophobicContact CD1-CD2 4.36Å; I534-L572 HydrophobicContact CG1-CB 4.49Å; Y535-L572 PolarHBondContact O-N 2.99Å; I536-L572 WeakPolarHBondContact CA-O 3.3Å; I536-L572 HydrophobicContact CG1-CB 4.28Å; I536-L572 HydrophobicContact CG1-CD2 4.36Å; G537-L572 PolarHBondContact N-O 3.02Å; G537-L572 VanDerWaalsContact N-O 3.11Å; L572-Q574 PolarHBondContact O-N 3.23Å; L572-A660 HydrophobicContact CD1-CB 4.22Å; L572-A660 HydrophobicContact CD2-CB 4.26Å |
| 573 | C | 95.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 29 Ų | 29 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 105.6 | 177 | -70.6 | 0 | 0 | 0 | 0 | 110.5 | V224 G537 I539 D661 | V224-C573 VanDerWaalsContact CG2-SG 3.59Å; G537-C573 CarbonylContact O-C 3.55Å; G537-C573 WeakPolarHBondContact O-CA 3.41Å; I539-C573 HydrophobicContact CB-CB 4.21Å; C573-D661 WeakPolarHBondContact O-CA 3.3Å |
| 574 | Q | 91.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 9% | 0.093 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.9 | 179 | 80.9 | -81 | -24.6 | 0 | 0 | 112.1 | I66 G537 G538 L572 A660 | I66-Q574 HydrophobicContact CD1-CB 3.88Å; G537-Q574 VanDerWaalsContact C-NE2 3.29Å; G537-Q574 VanDerWaalsContact CA-OE1 3.23Å; G537-Q574 VanDerWaalsContact O-CD 3.27Å; G537-Q574 PolarHBondContact O-N 3.18Å; G537-Q574 PolarHBondContact O-OE1 3.07Å; G538-Q574 VanDerWaalsContact CA-NE2 3.33Å; G538-Q574 VanDerWaalsContact N-NE2 3.11Å; L572-Q574 PolarHBondContact O-N 3.23Å; Q574-A660 CarbonylContact C-O 3.51Å; Q574-A660 WeakPolarHBondContact CA-O 3.5Å; Q574-A660 WeakPolarHBondContact CB-O 3.45Å |
| 575 | G | 87.8 | Confident | 95 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 154.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | R62 A660 M662 | R62-G575 VanDerWaalsContact NH1-C 3.34Å; R62-G575 PolarHBondContact NH1-O 3.4Å; G575-A660 PolarHBondContact N-O 3.42Å; G575-M662 WeakPolarHBondContact CA-O 3.37Å |
| 576 | M | 88.3 | Confident | 94.5 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 37% | 0.374 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 146.3 | 178.4 | -68.5 | -176 | -83.1 | 0 | 0 | 112 | L578 K627 T663 L664 | M576-L578 HydrophobicContact CB-CD2 4.07Å; M576-K627 HydrophobicContact SD-CB 4.13Å; M576-K627 HydrophobicContact SD-CD 3.64Å; M576-K627 HydrophobicContact SD-CG 3.89Å; M576-T663 HydrophobicContact CB-CG2 4.43Å; M576-T663 CarbonylContact O-C 3.55Å; M576-T663 VanDerWaalsContact O-CA 3.3Å; M576-T663 WeakPolarHBondContact O-CA 3.32Å; M576-L664 PolarHBondContact O-N 3.27Å |
| 577 | V | 91 | Very high | 94.1 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.7 | 168.3 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | M58 R62 M628 M654 L664 W666 | M58-V577 HydrophobicContact CB-CG1 3.86Å; R62-V577 HydrophobicContact CB-CG2 4Å; R62-V577 HydrophobicContact CG-CG2 4.43Å; V577-M628 HydrophobicContact CG1-CE 3.7Å; V577-M628 HydrophobicContact CG1-SD 3.95Å; V577-M628 PolarHBondContact O-N 3.19Å; V577-M628 VanDerWaalsContact O-N 3.11Å; V577-M654 HydrophobicContact CG2-CE 4.01Å; V577-L664 HydrophobicContact CG1-CD2 3.95Å; V577-W666 HydrophobicContact CG1-CB 4.4Å |
| 578 | L | 91.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.9 | -177 | -46.3 | -178.4 | 0 | 0 | 0 | 110.1 | M576 M625 S626 T663 L664 W666 | M576-L578 HydrophobicContact CB-CD2 4.07Å; L578-M625 HydrophobicContact CB-CE 4.3Å; L578-M625 HydrophobicContact CB-CG 3.67Å; L578-M625 HydrophobicContact CD1-CG 4.42Å; L578-S626 VanDerWaalsContact CA-O 3.27Å; L578-S626 WeakPolarHBondContact CA-O 3.44Å; L578-T663 HydrophobicContact CD1-CG2 4.4Å; L578-L664 PolarHBondContact N-O 2.88Å; L578-W666 VanDerWaalsContact O-CB 3.23Å; L578-W666 WeakPolarHBondContact O-CB 3.27Å; L578-W666 PolarHBondContact O-N 3.27Å |
| 579 | A | 91.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P596 S626 M628 N634 | A579-P596 HydrophobicContact CB-CG 4.41Å; A579-S626 PolarHBondContact N-O 2.87Å; A579-S626 PolarHBondContact O-N 3.11Å; A579-M628 HydrophobicContact CB-CE 3.71Å; A579-M628 HydrophobicContact CB-CG 3.84Å; A579-N634 HydrophobicContact CB-CB 4.42Å; A579-N634 WeakPolarHBondContact CB-O 3.38Å; A579-N634 PolarHBondContact O-ND2 3.05Å |
| 580 | D | 92.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 149 | 166.3 | -71.3 | -24.8 | 0 | 0 | 0 | 109.7 | F582 P596 R603 Y622 N634 | D580-F582 HydrophobicContact CB-CD2 4.4Å; D580-F582 HydrophobicContact CB-CE2 3.49Å; D580-F582 VanDerWaalsContact CB-CE2 3.49Å; D580-F582 HydrophobicContact CB-CZ 3.83Å; D580-P596 HydrophobicContact CB-CG 4.48Å; D580-P596 WeakPolarHBondContact O-CG 3.24Å; D580-R603 IonicContact OD2-NH2 3.6Å; D580-Y622 HydrophobicContact CB-CE2 3.92Å; D580-Y622 WeakPolarHBondContact OD1-CE2 3.13Å; D580-Y622 PolarHBondContact OD1-OH 3.04Å; D580-N634 VanDerWaalsContact O-CB 3.26Å; D580-N634 WeakPolarHBondContact O-CB 3.26Å |
| 581 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | W593 T623 G624 K632 N634 | A581-W593 HydrophobicContact CB-CE3 4.37Å; A581-W593 HydrophobicContact CB-CZ3 3.88Å; A581-T623 WeakPolarHBondContact CB-OG1 3.41Å; A581-T623 PolarHBondContact O-N 3.19Å; A581-T623 PolarHBondContact O-OG1 2.68Å; A581-G624 PolarHBondContact N-O 3.37Å; A581-K632 HydrophobicContact CB-CB 4.45Å; A581-K632 HydrophobicContact CB-CD 4.33Å; A581-N634 HydrophobicContact CB-CB 4.1Å |
| 582 | F | 96.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.8 | -173 | -58.6 | -85.7 | 0 | 0 | 0 | 111.1 | D580 W593 V594 P596 A599 V601 I609 A612 L620 V621 Y622 | D580-F582 HydrophobicContact CB-CD2 4.4Å; D580-F582 HydrophobicContact CB-CE2 3.49Å; D580-F582 VanDerWaalsContact CB-CE2 3.49Å; D580-F582 HydrophobicContact CB-CZ 3.83Å; F582-W593 CarbonylContact O-C 3.59Å; F582-W593 WeakPolarHBondContact O-CA 3.35Å; F582-V594 HydrophobicContact CB-CB 4.43Å; F582-V594 PolarHBondContact O-N 2.93Å; F582-P596 HydrophobicContact CE2-CB 4.32Å; F582-A599 HydrophobicContact CD2-CB 3.77Å; F582-A599 HydrophobicContact CE2-CB 3.82Å; F582-A599 HydrophobicContact CG-CB 4.17Å; F582-A599 HydrophobicContact CZ-CB 4.26Å; F582-V601 HydrophobicContact CZ-CG2 4.03Å; F582-I609 HydrophobicContact CE1-CD1 4.12Å; F582-I609 HydrophobicContact CZ-CD1 3.83Å; F582-A612 HydrophobicContact CD1-CB 4.02Å; F582-A612 HydrophobicContact CE1-CB 3.84Å; F582-L620 HydrophobicContact CB-CB 4.28Å; F582-L620 HydrophobicContact CB-CD1 4.15Å; F582-L620 HydrophobicContact CD1-CB 4.31Å; F582-L620 HydrophobicContact CG-CD1 4.46Å; F582-V621 WeakPolarHBondContact CA-O 3.49Å; F582-Y622 HydrophobicContact CD1-CD2 4.14Å; F582-Y622 AromaticContact CE1-CD2 3.6Å; F582-Y622 HydrophobicContact CE1-CD2 3.6Å; F582-Y622 HydrophobicContact CE1-CG 4.03Å; F582-Y622 AromaticContact CZ-CD2 3.9Å; F582-Y622 HydrophobicContact CZ-CD2 3.9Å; F582-Y622 HydrophobicContact CZ-CE2 4.46Å |
| 583 | Y | 96.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.1 | 167.6 | 73 | -94.4 | 0 | 0 | 0 | 111.7 | V585 R591 N592 W593 V621 T623 | Y583-V585 HydrophobicContact CD2-CG2 4.45Å; Y583-V585 HydrophobicContact CE2-CG2 3.94Å; Y583-R591 HydrophobicContact CD2-CB 3.88Å; Y583-R591 HydrophobicContact CD2-CG 3.69Å; Y583-R591 HydrophobicContact CE2-CB 4.44Å; Y583-R591 HydrophobicContact CE2-CG 3.74Å; Y583-R591 HydrophobicContact CG-CB 4.19Å; Y583-R591 HydrophobicContact CG-CG 4.29Å; Y583-N592 CarbonylContact C-O 3.45Å; Y583-N592 WeakPolarHBondContact CA-O 3.21Å; Y583-N592 WeakPolarHBondContact CB-O 3.29Å; Y583-W593 HydrophobicContact CD1-CE3 4.44Å; Y583-W593 HydrophobicContact CD1-CH2 4.13Å; Y583-W593 HydrophobicContact CD1-CZ2 4.45Å; Y583-W593 HydrophobicContact CD1-CZ3 4.12Å; Y583-V621 HydrophobicContact CD1-CB 4.22Å; Y583-V621 HydrophobicContact CD2-CB 4.44Å; Y583-V621 HydrophobicContact CE1-CB 3.85Å; Y583-V621 HydrophobicContact CE1-CG1 3.79Å; Y583-V621 HydrophobicContact CE2-CB 4.06Å; Y583-V621 HydrophobicContact CE2-CG2 4Å; Y583-V621 HydrophobicContact CG-CB 4.5Å; Y583-V621 PolarHBondContact N-O 3.38Å; Y583-V621 VanDerWaalsContact N-O 3.14Å; Y583-V621 PolarHBondContact O-N 2.78Å; Y583-T623 HydrophobicContact CD1-CG2 3.61Å; Y583-T623 HydrophobicContact CE1-CG2 3.42Å; Y583-T623 VanDerWaalsContact CE1-CG2 3.42Å |
| 584 | Y | 97.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 159.6 | 161.8 | 67.3 | -86.4 | 0 | 0 | 0 | 110.5 | N592 V594 H618 E619 L620 | Y584-N592 HydrophobicContact CD1-CB 3.86Å; Y584-N592 HydrophobicContact CD2-CB 4.16Å; Y584-N592 HydrophobicContact CE1-CB 3.37Å; Y584-N592 HydrophobicContact CE2-CB 3.71Å; Y584-N592 HydrophobicContact CG-CB 4.22Å; Y584-N592 PolarHBondContact N-O 2.96Å; Y584-N592 PolarHBondContact O-N 3.03Å; Y584-V594 HydrophobicContact CD1-CG2 3.78Å; Y584-V594 HydrophobicContact CE1-CG2 3.96Å; Y584-H618 HydrophobicContact CD1-CB 4.15Å; Y584-H618 HydrophobicContact CD2-CB 4.38Å; Y584-H618 HydrophobicContact CG-CB 3.97Å; Y584-E619 WeakPolarHBondContact CB-O 3.3Å; Y584-L620 HydrophobicContact CD1-CD2 4.1Å |
| 585 | V | 93.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.4 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | Y583 E590 | Y583-V585 HydrophobicContact CD2-CG2 4.45Å; Y583-V585 HydrophobicContact CE2-CG2 3.94Å; V585-E590 WeakPolarHBondContact CA-O 3.47Å |
| 586 | G | 88.2 | Confident | 90.7 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | trans | -70.7 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N588 G589 E590 | G586-N588 PolarHBondContact O-N 3.15Å; G586-N588 VanDerWaalsContact O-N 3.12Å; G586-G589 PolarHBondContact O-N 3.11Å; G586-E590 PolarHBondContact N-O 2.8Å | ||
| 587 | E | 89.2 | Confident | 90.6 | Very high | 211 Ų | 211 | 54.8 Ų | 54.8 | 99% | 0.986 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26 | 179.7 | -63.2 | -172.5 | 165.1 | 0 | 0 | 113.3 | G589 | E587-G589 VanDerWaalsContact C-N 3.31Š|
| 588 | N | 85.3 | Confident | 90.7 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1 | 175.8 | 65.3 | -11.6 | 0 | 0 | 0 | 113.9 | G586 E590 | G586-N588 PolarHBondContact O-N 3.15Å; G586-N588 VanDerWaalsContact O-N 3.12Å; N588-E590 VanDerWaalsContact C-N 3.29Å; N588-E590 WeakPolarHBondContact ND2-CB 3.34Å; N588-E590 PolarHBondContact ND2-OE2 2.64Å; N588-E590 WeakPolarHBondContact OD1-CB 3.32Å; N588-E590 PolarHBondContact OD1-N 3.11Å |
| 589 | G | 82.8 | Confident | 90.8 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 81.7 | 0.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G586 E587 | G586-G589 PolarHBondContact O-N 3.11Å; E587-G589 VanDerWaalsContact C-N 3.31Å |
| 590 | E | 77.9 | Confident | 91 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | trans | -76 | 143.6 | -179.3 | -169.7 | 171.7 | -158.2 | 0 | 0 | 111.7 | V585 G586 N588 N592 | V585-E590 WeakPolarHBondContact CA-O 3.47Å; G586-E590 PolarHBondContact N-O 2.8Å; N588-E590 VanDerWaalsContact C-N 3.29Å; N588-E590 WeakPolarHBondContact ND2-CB 3.34Å; N588-E590 PolarHBondContact ND2-OE2 2.64Å; N588-E590 WeakPolarHBondContact OD1-CB 3.32Å; N588-E590 PolarHBondContact OD1-N 3.11Å; E590-N592 PolarHBondContact O-N 3.08Å; E590-N592 PolarHBondContact O-ND2 3.37Å | ||
| 591 | R | 88.7 | Confident | 91.1 | Very high | 150 Ų | 150 | 63.9 Ų | 63.9 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 113.8 | 174.6 | -65.9 | -176.6 | -179.3 | 158.3 | -1.4 | 109.6 | Y583 | Y583-R591 HydrophobicContact CD2-CB 3.88Å; Y583-R591 HydrophobicContact CD2-CG 3.69Å; Y583-R591 HydrophobicContact CE2-CB 4.44Å; Y583-R591 HydrophobicContact CE2-CG 3.74Å; Y583-R591 HydrophobicContact CG-CB 4.19Å; Y583-R591 HydrophobicContact CG-CG 4.29Å |
| 592 | N | 89.7 | Confident | 91.1 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.9 | 174.8 | -68.5 | -84.2 | 0 | 0 | 0 | 108.5 | Y583 Y584 E590 | Y583-N592 CarbonylContact C-O 3.45Å; Y583-N592 WeakPolarHBondContact CA-O 3.21Å; Y583-N592 WeakPolarHBondContact CB-O 3.29Å; Y584-N592 HydrophobicContact CD1-CB 3.86Å; Y584-N592 HydrophobicContact CD2-CB 4.16Å; Y584-N592 HydrophobicContact CE1-CB 3.37Å; Y584-N592 HydrophobicContact CE2-CB 3.71Å; Y584-N592 HydrophobicContact CG-CB 4.22Å; Y584-N592 PolarHBondContact N-O 2.96Å; Y584-N592 PolarHBondContact O-N 3.03Å; E590-N592 PolarHBondContact O-N 3.08Å; E590-N592 PolarHBondContact O-ND2 3.37Å |
| 593 | W | 92.6 | Very high | 90.9 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.6 | -177.2 | -67.3 | 90.6 | 0 | 0 | 0 | 111.9 | A581 F582 Y583 T623 S631 K632 N633 | A581-W593 HydrophobicContact CB-CE3 4.37Å; A581-W593 HydrophobicContact CB-CZ3 3.88Å; F582-W593 CarbonylContact O-C 3.59Å; F582-W593 WeakPolarHBondContact O-CA 3.35Å; Y583-W593 HydrophobicContact CD1-CE3 4.44Å; Y583-W593 HydrophobicContact CD1-CH2 4.13Å; Y583-W593 HydrophobicContact CD1-CZ2 4.45Å; Y583-W593 HydrophobicContact CD1-CZ3 4.12Å; W593-T623 HydrophobicContact CH2-CG2 4.2Å; W593-T623 HydrophobicContact CZ3-CG2 4.2Å; W593-S631 VanDerWaalsContact CD1-O 3.26Å; W593-K632 WeakPolarHBondContact CB-O 3.33Å; W593-K632 HydrophobicContact CD2-CB 3.97Å; W593-K632 HydrophobicContact CD2-CG 4.23Å; W593-K632 HydrophobicContact CE3-CB 3.67Å; W593-K632 HydrophobicContact CE3-CG 4.06Å; W593-K632 HydrophobicContact CH2-CB 4.3Å; W593-K632 HydrophobicContact CH2-CD 3.85Å; W593-K632 HydrophobicContact CH2-CG 3.77Å; W593-K632 HydrophobicContact CZ2-CD 4.42Å; W593-K632 HydrophobicContact CZ2-CG 3.9Å; W593-K632 HydrophobicContact CZ3-CB 3.87Å; W593-K632 HydrophobicContact CZ3-CD 3.95Å; W593-K632 HydrophobicContact CZ3-CG 3.85Å; W593-N633 HydrophobicContact CB-CB 3.71Å; W593-N633 PolarHBondContact O-ND2 3.15Å |
| 594 | V | 94.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 75.6 Ų | 75.6 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.9 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | F582 Y584 D598 D614 L620 | F582-V594 HydrophobicContact CB-CB 4.43Å; F582-V594 PolarHBondContact O-N 2.93Å; Y584-V594 HydrophobicContact CD1-CG2 3.78Å; Y584-V594 HydrophobicContact CE1-CG2 3.96Å; V594-D598 HydrophobicContact CG1-CB 4.02Å; V594-D614 HydrophobicContact CG1-CB 4.22Å; V594-L620 HydrophobicContact CB-CD1 4.31Å; V594-L620 HydrophobicContact CB-CD2 4.1Å; V594-L620 HydrophobicContact CG1-CD1 4.13Å; V594-L620 HydrophobicContact CG2-CD2 3.65Å |
| 595 | S | 92.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 83 Ų | 83 | 10% | 0.098 | 43% | 0.425 | C | S | . | . | trans | -62.1 | 141.5 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | V597 D598 A599 N633 | S595-V597 PolarHBondContact O-N 3.09Å; S595-V597 VanDerWaalsContact O-N 3.11Å; S595-V597 PolarHBondContact OG-N 3.43Å; S595-D598 WeakPolarHBondContact CB-OD2 3.37Å; S595-D598 PolarHBondContact O-N 2.87Å; S595-A599 PolarHBondContact O-N 3.13Å; S595-N633 WeakPolarHBondContact CA-O 3.45Å | ||
| 596 | P | 90.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 86.4 Ų | 86.4 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.1 | 172.9 | -28 | 37.1 | 0 | 0 | 0 | 113.6 | A579 D580 F582 D598 N634 I636 | A579-P596 HydrophobicContact CB-CG 4.41Å; D580-P596 HydrophobicContact CB-CG 4.48Å; D580-P596 WeakPolarHBondContact O-CG 3.24Å; F582-P596 HydrophobicContact CE2-CB 4.32Å; P596-D598 VanDerWaalsContact C-N 3.29Å; P596-N634 HydrophobicContact CG-CB 4.11Å; P596-I636 HydrophobicContact CB-CD1 4.37Å |
| 597 | V | 87.7 | Confident | 90.3 | Very high | 85 Ų | 85 | 87.4 Ų | 87.4 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.7 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | S595 I636 | S595-V597 PolarHBondContact O-N 3.09Å; S595-V597 VanDerWaalsContact O-N 3.11Å; S595-V597 PolarHBondContact OG-N 3.43Å; V597-I636 HydrophobicContact CG2-CD1 3.48Å; V597-I636 VanDerWaalsContact CG2-CD1 3.48Å |
| 598 | D | 91.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 84.8 Ų | 84.8 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.2 | -176.6 | -56.7 | -42.6 | 0 | 0 | 0 | 112.4 | V594 S595 P596 | V594-D598 HydrophobicContact CG1-CB 4.02Å; S595-D598 WeakPolarHBondContact CB-OD2 3.37Å; S595-D598 PolarHBondContact O-N 2.87Å; P596-D598 VanDerWaalsContact C-N 3.29Å |
| 599 | A | 93.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 80.7 Ų | 80.7 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | trans | -84.3 | 123.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F582 S595 V601 L620 | F582-A599 HydrophobicContact CD2-CB 3.77Å; F582-A599 HydrophobicContact CE2-CB 3.82Å; F582-A599 HydrophobicContact CG-CB 4.17Å; F582-A599 HydrophobicContact CZ-CB 4.26Å; S595-A599 PolarHBondContact O-N 3.13Å; A599-V601 HydrophobicContact CB-CG2 4.14Å; A599-L620 HydrophobicContact CB-CD1 3.97Å | ||
| 600 | I | 95.6 | Very high | 91.2 | Very high | 94 Ų | 94 | 82.3 Ų | 82.3 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 104.4 | 172.3 | -55.3 | 166.6 | 0 | 0 | 0 | 107.7 | A612 K613 | I600-A612 WeakPolarHBondContact O-CA 3.25Å; I600-K613 HydrophobicContact CB-CG 4.09Å; I600-K613 WeakPolarHBondContact CB-O 3.29Å; I600-K613 PolarHBondContact N-O 3.42Å; I600-K613 PolarHBondContact O-N 2.95Å |
| 601 | V | 94.1 | Very high | 92 | Very high | 50 Ų | 50 | 82.6 Ų | 82.6 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.3 | -168.4 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | F582 A599 R603 I609 A612 | F582-V601 HydrophobicContact CZ-CG2 4.03Å; A599-V601 HydrophobicContact CB-CG2 4.14Å; V601-R603 HydrophobicContact CG1-CG 4.3Å; V601-I609 HydrophobicContact CG1-CB 3.97Å; V601-I609 HydrophobicContact CG1-CD1 3.67Å; V601-I609 HydrophobicContact CG1-CG1 3.53Å; V601-I609 HydrophobicContact CG1-CG2 3.45Å; V601-I609 VanDerWaalsContact CG1-CG2 3.45Å; V601-A612 HydrophobicContact CG2-CB 4.47Å |
| 602 | E | 95.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 75.8 Ų | 75.8 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.2 | 166.4 | -153.9 | -173.8 | -121 | 0 | 0 | 109.7 | V610 K611 | E602-V610 HydrophobicContact CB-CG2 4.36Å; E602-V610 WeakPolarHBondContact O-CG2 2.99Å; E602-V610 PolarHBondContact O-N 3.16Å; E602-K611 HydrophobicContact CB-CD 4.3Å; E602-K611 HydrophobicContact CB-CG 3.61Å; E602-K611 PolarHBondContact N-O 2.9Å; E602-K611 WeakPolarHBondContact OE1-CE 3.18Å; E602-K611 IonicContact OE1-NZ 2.82Å; E602-K611 PolarHBondContact OE1-NZ 3.48Å; E602-K611 VanDerWaalsContact OE2-CD 3.24Å; E602-K611 WeakPolarHBondContact OE2-CD 2.93Å; E602-K611 WeakPolarHBondContact OE2-CE 3.44Å; E602-K611 IonicContact OE2-NZ 3.67Å; E602-K611 PolarHBondContact OE2-NZ 3.22Å |
| 603 | R | 93.3 | Very high | 92.8 | Very high | 129 Ų | 129 | 78.6 Ų | 78.6 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.4 | -176.3 | -64.4 | -179.8 | -178.2 | -91.2 | -2.1 | 111.2 | D580 V601 G607 R608 I609 | D580-R603 IonicContact OD2-NH2 3.6Å; V601-R603 HydrophobicContact CG1-CG 4.3Å; R603-G607 WeakPolarHBondContact CD-O 3.43Å; R603-G607 PolarHBondContact NH1-O 3Å; R603-R608 CarbonylContact C-O 3.57Å; R603-R608 WeakPolarHBondContact CA-O 3.5Å; R603-I609 HydrophobicContact CG-CG1 4.37Å |
| 604 | D | 93 | Very high | 93 | Very high | 57 Ų | 57 | 76.6 Ų | 76.6 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | trans | -75.8 | 178 | 171.1 | 74.1 | 2.5 | 0 | 0 | 0 | 112.4 | K606 G607 R608 V610 | D604-K606 PolarHBondContact O-N 2.83Å; D604-K606 VanDerWaalsContact O-N 3.11Å; D604-K606 VanDerWaalsContact OD1-CA 3.25Å; D604-K606 WeakPolarHBondContact OD1-CA 3.42Å; D604-K606 WeakPolarHBondContact OD1-CB 3.3Å; D604-K606 PolarHBondContact OD1-N 2.87Å; D604-G607 PolarHBondContact O-N 2.92Å; D604-G607 PolarHBondContact OD1-N 3.02Å; D604-R608 PolarHBondContact N-O 2.99Å; D604-R608 WeakPolarHBondContact OD1-CB 3.49Å; D604-R608 PolarHBondContact OD1-N 2.91Å; D604-R608 WeakPolarHBondContact OD2-CD 3.48Å; D604-V610 HydrophobicContact CB-CG1 3.82Å | ||
| 605 | E | 92.6 | Very high | 93.1 | Very high | 210 Ų | 210 | 80.7 Ų | 80.7 | 98% | 0.981 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.6 | 176.4 | -65.7 | -172.1 | 168.3 | 0 | 0 | 113.8 | ||
| 606 | K | 90 | Very high | 93.3 | Very high | 160 Ų | 160 | 83.8 Ų | 83.8 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 4.6 | 176.2 | -62.6 | -177.5 | 178.5 | 179.2 | 0 | 112.3 | D604 R608 | D604-K606 PolarHBondContact O-N 2.83Å; D604-K606 VanDerWaalsContact O-N 3.11Å; D604-K606 VanDerWaalsContact OD1-CA 3.25Å; D604-K606 WeakPolarHBondContact OD1-CA 3.42Å; D604-K606 WeakPolarHBondContact OD1-CB 3.3Å; D604-K606 PolarHBondContact OD1-N 2.87Å; K606-R608 VanDerWaalsContact C-N 3.31Å; K606-R608 HydrophobicContact CB-CG 4.34Å; K606-R608 PolarHBondContact O-N 3.32Å |
| 607 | G | 85.7 | Confident | 93.5 | Very high | 35 Ų | 35 | 84.8 Ų | 84.8 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 79 | 6.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | R603 D604 | R603-G607 WeakPolarHBondContact CD-O 3.43Å; R603-G607 PolarHBondContact NH1-O 3Å; D604-G607 PolarHBondContact O-N 2.92Å; D604-G607 PolarHBondContact OD1-N 3.02Å |
| 608 | R | 89.1 | Confident | 94 | Very high | 157 Ų | 157 | 84.4 Ų | 84.4 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | trans | -77.1 | 137.4 | 179.6 | -57.6 | 169.8 | -177.4 | -177.6 | -6 | 109.6 | R603 D604 K606 V610 | R603-R608 CarbonylContact C-O 3.57Å; R603-R608 WeakPolarHBondContact CA-O 3.5Å; D604-R608 PolarHBondContact N-O 2.99Å; D604-R608 WeakPolarHBondContact OD1-CB 3.49Å; D604-R608 PolarHBondContact OD1-N 2.91Å; D604-R608 WeakPolarHBondContact OD2-CD 3.48Å; K606-R608 VanDerWaalsContact C-N 3.31Å; K606-R608 HydrophobicContact CB-CG 4.34Å; K606-R608 PolarHBondContact O-N 3.32Å; R608-V610 PolarHBondContact O-N 3.27Å | ||
| 609 | I | 92.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 88 Ų | 88 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.8 | 174.4 | -58.5 | -176.7 | 0 | 0 | 0 | 108.6 | F582 V601 R603 Y622 | F582-I609 HydrophobicContact CE1-CD1 4.12Å; F582-I609 HydrophobicContact CZ-CD1 3.83Å; V601-I609 HydrophobicContact CG1-CB 3.97Å; V601-I609 HydrophobicContact CG1-CD1 3.67Å; V601-I609 HydrophobicContact CG1-CG1 3.53Å; V601-I609 HydrophobicContact CG1-CG2 3.45Å; V601-I609 VanDerWaalsContact CG1-CG2 3.45Å; R603-I609 HydrophobicContact CG-CG1 4.37Å; I609-Y622 HydrophobicContact CB-CD1 3.99Å; I609-Y622 HydrophobicContact CB-CE1 4.32Å; I609-Y622 HydrophobicContact CB-CG 4.38Å; I609-Y622 HydrophobicContact CD1-CD1 4.2Å; I609-Y622 HydrophobicContact CD1-CD2 3.95Å; I609-Y622 HydrophobicContact CD1-CE1 4.12Å; I609-Y622 HydrophobicContact CD1-CE2 3.88Å; I609-Y622 HydrophobicContact CD1-CG 4.11Å; I609-Y622 HydrophobicContact CG1-CE1 4.45Å; I609-Y622 HydrophobicContact CG2-CD1 4.36Å; I609-Y622 HydrophobicContact CG2-CG 4.32Å |
| 610 | V | 94.7 | Very high | 94.5 | Very high | 87 Ų | 87 | 87.8 Ų | 87.8 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -29.7 | 179 | -70 | 0 | 0 | 0 | 0 | 112.8 | E602 D604 R608 | E602-V610 HydrophobicContact CB-CG2 4.36Å; E602-V610 WeakPolarHBondContact O-CG2 2.99Å; E602-V610 PolarHBondContact O-N 3.16Å; D604-V610 HydrophobicContact CB-CG1 3.82Å; R608-V610 PolarHBondContact O-N 3.27Å |
| 611 | K | 95.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 86.3 Ų | 86.3 | 53% | 0.53 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 152.9 | 171.9 | 67.4 | -175.1 | -161.7 | -138.9 | 0 | 110 | E602 | E602-K611 HydrophobicContact CB-CD 4.3Å; E602-K611 HydrophobicContact CB-CG 3.61Å; E602-K611 PolarHBondContact N-O 2.9Å; E602-K611 WeakPolarHBondContact OE1-CE 3.18Å; E602-K611 IonicContact OE1-NZ 2.82Å; E602-K611 PolarHBondContact OE1-NZ 3.48Å; E602-K611 VanDerWaalsContact OE2-CD 3.24Å; E602-K611 WeakPolarHBondContact OE2-CD 2.93Å; E602-K611 WeakPolarHBondContact OE2-CE 3.44Å; E602-K611 IonicContact OE2-NZ 3.67Å; E602-K611 PolarHBondContact OE2-NZ 3.22Å |
| 612 | A | 97.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 88 Ų | 88 | 5% | 0.05 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | F582 I600 V601 L620 | F582-A612 HydrophobicContact CD1-CB 4.02Å; F582-A612 HydrophobicContact CE1-CB 3.84Å; I600-A612 WeakPolarHBondContact O-CA 3.25Å; V601-A612 HydrophobicContact CG2-CB 4.47Å; A612-L620 HydrophobicContact CB-CB 3.97Å; A612-L620 HydrophobicContact CB-CD1 4.33Å; A612-L620 PolarHBondContact O-N 2.8Å |
| 613 | K | 97.7 | Very high | 94.6 | Very high | 110 Ų | 110 | 86.5 Ų | 86.5 | 48% | 0.478 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.7 | 173.8 | 64.1 | 179.7 | -178.4 | 174.7 | 0 | 111 | I600 H618 L620 | I600-K613 HydrophobicContact CB-CG 4.09Å; I600-K613 WeakPolarHBondContact CB-O 3.29Å; I600-K613 PolarHBondContact N-O 3.42Å; I600-K613 PolarHBondContact O-N 2.95Å; K613-H618 WeakPolarHBondContact CA-O 3.23Å; K613-H618 WeakPolarHBondContact CB-O 3.46Å; K613-L620 VanDerWaalsContact C-CD1 3.46Å |
| 614 | D | 97 | Very high | 94.6 | Very high | 20 Ų | 20 | 81.3 Ų | 81.3 | 11% | 0.107 | 44% | 0.441 | C | S | . | . | trans | -89 | -178.3 | 168 | 71.7 | 4.5 | 0 | 0 | 0 | 111.7 | V594 A616 G617 H618 L620 | V594-D614 HydrophobicContact CG1-CB 4.22Å; D614-A616 PolarHBondContact O-N 3.27Å; D614-A616 WeakPolarHBondContact OD1-CA 3.31Å; D614-A616 PolarHBondContact OD1-N 2.71Å; D614-G617 PolarHBondContact O-N 2.94Å; D614-G617 VanDerWaalsContact O-N 3.13Å; D614-G617 PolarHBondContact OD1-N 3.33Å; D614-H618 PolarHBondContact N-O 3.05Å; D614-H618 IonicContact OD1-CG 3.51Å; D614-H618 PolarHBondContact OD1-N 3.19Å; D614-H618 IonicContact OD1-ND1 2.71Å; D614-H618 PolarHBondContact OD1-ND1 2.88Å; D614-H618 IonicContact OD2-CE1 3.75Å; D614-H618 IonicContact OD2-CG 3.33Å; D614-H618 IonicContact OD2-ND1 2.72Å; D614-H618 PolarHBondContact OD2-ND1 3.2Å; D614-L620 HydrophobicContact CB-CD1 4.34Å; D614-L620 HydrophobicContact CB-CD2 4.45Å | ||
| 615 | A | 96.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 81 Ų | 81 | 82% | 0.818 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G617 | A615-G617 VanDerWaalsContact C-N 3.3Š|
| 616 | A | 96.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 65% | 0.653 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -13.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D614 | D614-A616 PolarHBondContact O-N 3.27Å; D614-A616 WeakPolarHBondContact OD1-CA 3.31Å; D614-A616 PolarHBondContact OD1-N 2.71Å |
| 617 | G | 95.7 | Very high | 94 | Very high | 50 Ų | 50 | 68.9 Ų | 68.9 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | trans | 92.2 | 13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D614 A615 | D614-G617 PolarHBondContact O-N 2.94Å; D614-G617 VanDerWaalsContact O-N 3.13Å; D614-G617 PolarHBondContact OD1-N 3.33Å; A615-G617 VanDerWaalsContact C-N 3.3Å | ||
| 618 | H | 97.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.356 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.3 | 172.1 | -56.9 | 117.8 | 0 | 0 | 0 | 110 | Y584 K613 D614 L620 | Y584-H618 HydrophobicContact CD1-CB 4.15Å; Y584-H618 HydrophobicContact CD2-CB 4.38Å; Y584-H618 HydrophobicContact CG-CB 3.97Å; K613-H618 WeakPolarHBondContact CA-O 3.23Å; K613-H618 WeakPolarHBondContact CB-O 3.46Å; D614-H618 PolarHBondContact N-O 3.05Å; D614-H618 IonicContact OD1-CG 3.51Å; D614-H618 PolarHBondContact OD1-N 3.19Å; D614-H618 IonicContact OD1-ND1 2.71Å; D614-H618 PolarHBondContact OD1-ND1 2.88Å; D614-H618 IonicContact OD2-CE1 3.75Å; D614-H618 IonicContact OD2-CG 3.33Å; D614-H618 IonicContact OD2-ND1 2.72Å; D614-H618 PolarHBondContact OD2-ND1 3.2Å; H618-L620 PolarHBondContact O-N 3.43Å |
| 619 | E | 97.5 | Very high | 93.7 | Very high | 172 Ų | 172 | 61.9 Ų | 61.9 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 122.4 | 173.1 | -173.5 | 174.6 | 166.4 | 0 | 0 | 109.7 | Y584 | Y584-E619 WeakPolarHBondContact CB-O 3.3Å |
| 620 | L | 98.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 132.7 | -176.3 | -58.8 | 180 | 0 | 0 | 0 | 111.4 | F582 Y584 V594 A599 A612 K613 D614 H618 | F582-L620 HydrophobicContact CB-CB 4.28Å; F582-L620 HydrophobicContact CB-CD1 4.15Å; F582-L620 HydrophobicContact CD1-CB 4.31Å; F582-L620 HydrophobicContact CG-CD1 4.46Å; Y584-L620 HydrophobicContact CD1-CD2 4.1Å; V594-L620 HydrophobicContact CB-CD1 4.31Å; V594-L620 HydrophobicContact CB-CD2 4.1Å; V594-L620 HydrophobicContact CG1-CD1 4.13Å; V594-L620 HydrophobicContact CG2-CD2 3.65Å; A599-L620 HydrophobicContact CB-CD1 3.97Å; A612-L620 HydrophobicContact CB-CB 3.97Å; A612-L620 HydrophobicContact CB-CD1 4.33Å; A612-L620 PolarHBondContact O-N 2.8Å; K613-L620 VanDerWaalsContact C-CD1 3.46Å; D614-L620 HydrophobicContact CB-CD1 4.34Å; D614-L620 HydrophobicContact CB-CD2 4.45Å; H618-L620 PolarHBondContact O-N 3.43Å |
| 621 | V | 97 | Very high | 91.9 | Very high | 63 Ų | 63 | 68 Ų | 68 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.7 | 168.1 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | F582 Y583 T623 | F582-V621 WeakPolarHBondContact CA-O 3.49Å; Y583-V621 HydrophobicContact CD1-CB 4.22Å; Y583-V621 HydrophobicContact CD2-CB 4.44Å; Y583-V621 HydrophobicContact CE1-CB 3.85Å; Y583-V621 HydrophobicContact CE1-CG1 3.79Å; Y583-V621 HydrophobicContact CE2-CB 4.06Å; Y583-V621 HydrophobicContact CE2-CG2 4Å; Y583-V621 HydrophobicContact CG-CB 4.5Å; Y583-V621 PolarHBondContact N-O 3.38Å; Y583-V621 VanDerWaalsContact N-O 3.14Å; Y583-V621 PolarHBondContact O-N 2.78Å; V621-T623 HydrophobicContact CG1-CG2 4.46Å |
| 622 | Y | 96.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 34% | 0.341 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.7 | 170.3 | 173.9 | -126.3 | 0 | 0 | 0 | 110.4 | D580 F582 I609 G624 M625 | D580-Y622 HydrophobicContact CB-CE2 3.92Å; D580-Y622 WeakPolarHBondContact OD1-CE2 3.13Å; D580-Y622 PolarHBondContact OD1-OH 3.04Å; F582-Y622 HydrophobicContact CD1-CD2 4.14Å; F582-Y622 AromaticContact CE1-CD2 3.6Å; F582-Y622 HydrophobicContact CE1-CD2 3.6Å; F582-Y622 HydrophobicContact CE1-CG 4.03Å; F582-Y622 AromaticContact CZ-CD2 3.9Å; F582-Y622 HydrophobicContact CZ-CD2 3.9Å; F582-Y622 HydrophobicContact CZ-CE2 4.46Å; I609-Y622 HydrophobicContact CB-CD1 3.99Å; I609-Y622 HydrophobicContact CB-CE1 4.32Å; I609-Y622 HydrophobicContact CB-CG 4.38Å; I609-Y622 HydrophobicContact CD1-CD1 4.2Å; I609-Y622 HydrophobicContact CD1-CD2 3.95Å; I609-Y622 HydrophobicContact CD1-CE1 4.12Å; I609-Y622 HydrophobicContact CD1-CE2 3.88Å; I609-Y622 HydrophobicContact CD1-CG 4.11Å; I609-Y622 HydrophobicContact CG1-CE1 4.45Å; I609-Y622 HydrophobicContact CG2-CD1 4.36Å; I609-Y622 HydrophobicContact CG2-CG 4.32Å; Y622-G624 VanDerWaalsContact CE2-CA 3.46Å; Y622-G624 WeakPolarHBondContact OH-CA 3.4Å; Y622-M625 PolarHBondContact OH-N 3.18Å |
| 623 | T | 94 | Very high | 91 | Very high | 60 Ų | 60 | 69 Ų | 69 | 37% | 0.368 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 7.5 | -176.5 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | A581 Y583 W593 V621 | A581-T623 WeakPolarHBondContact CB-OG1 3.41Å; A581-T623 PolarHBondContact O-N 3.19Å; A581-T623 PolarHBondContact O-OG1 2.68Å; Y583-T623 HydrophobicContact CD1-CG2 3.61Å; Y583-T623 HydrophobicContact CE1-CG2 3.42Å; Y583-T623 VanDerWaalsContact CE1-CG2 3.42Å; W593-T623 HydrophobicContact CH2-CG2 4.2Å; W593-T623 HydrophobicContact CZ3-CG2 4.2Å; V621-T623 HydrophobicContact CG1-CG2 4.46Å |
| 624 | G | 92.5 | Very high | 90.7 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A581 Y622 | A581-G624 PolarHBondContact N-O 3.37Å; Y622-G624 VanDerWaalsContact CE2-CA 3.46Å; Y622-G624 WeakPolarHBondContact OH-CA 3.4Å |
| 625 | M | 90.4 | Very high | 90.2 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124 | 175.4 | -156.1 | 147.2 | -163.6 | 0 | 0 | 109.2 | L578 Y622 E665 | L578-M625 HydrophobicContact CB-CE 4.3Å; L578-M625 HydrophobicContact CB-CG 3.67Å; L578-M625 HydrophobicContact CD1-CG 4.42Å; Y622-M625 PolarHBondContact OH-N 3.18Å; M625-E665 HydrophobicContact CE-CB 3.34Å; M625-E665 HydrophobicContact CE-CG 3.68Å; M625-E665 HydrophobicContact CG-CG 4.49Å; M625-E665 HydrophobicContact SD-CB 3.79Å; M625-E665 VanDerWaalsContact SD-CD 3.51Å; M625-E665 HydrophobicContact SD-CG 3.48Å; M625-E665 WeakPolarHBondContact SD-CG 3.48Å |
| 626 | S | 88 | Confident | 89.7 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.6 | -176.6 | 65 | 0 | 0 | 0 | 0 | 111.9 | L578 A579 M628 K632 N634 | L578-S626 VanDerWaalsContact CA-O 3.27Å; L578-S626 WeakPolarHBondContact CA-O 3.44Å; A579-S626 PolarHBondContact N-O 2.87Å; A579-S626 PolarHBondContact O-N 3.11Å; S626-M628 PolarHBondContact O-N 3.26Å; S626-K632 PolarHBondContact OG-NZ 3.12Å; S626-N634 PolarHBondContact O-ND2 3.39Å |
| 627 | K | 86.1 | Confident | 89.2 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.9 | 129.8 | 176.6 | -177.8 | -174.3 | -177.7 | 162.7 | 0 | 109.4 | E540 M576 S629 N634 | E540-K627 IonicContact OE1-NZ 2.61Å; E540-K627 PolarHBondContact OE1-NZ 2.82Å; M576-K627 HydrophobicContact SD-CB 4.13Å; M576-K627 HydrophobicContact SD-CD 3.64Å; M576-K627 HydrophobicContact SD-CG 3.89Å; K627-S629 PolarHBondContact O-N 3.41Å; K627-N634 PolarHBondContact O-ND2 2.83Å; K627-N634 PolarHBondContact O-OD1 3.45Å |
| 628 | M | 87.4 | Confident | 88.8 | Confident | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -57.9 | 126.8 | 170.7 | -73.6 | -172.8 | -177.3 | 0 | 0 | 109.6 | M58 V577 A579 S626 N634 I636 W666 | M58-M628 HydrophobicContact CB-CE 3.96Å; M58-M628 HydrophobicContact CB-SD 3.73Å; M58-M628 HydrophobicContact CG-CE 3.95Å; M58-M628 HydrophobicContact CG-SD 4.08Å; V577-M628 HydrophobicContact CG1-CE 3.7Å; V577-M628 HydrophobicContact CG1-SD 3.95Å; V577-M628 PolarHBondContact O-N 3.19Å; V577-M628 VanDerWaalsContact O-N 3.11Å; A579-M628 HydrophobicContact CB-CE 3.71Å; A579-M628 HydrophobicContact CB-CG 3.84Å; S626-M628 PolarHBondContact O-N 3.26Å; M628-N634 WeakPolarHBondContact CA-OD1 3.01Å; M628-I636 HydrophobicContact CE-CB 3.9Å; M628-I636 HydrophobicContact CE-CG1 3.65Å; M628-I636 HydrophobicContact SD-CB 4.4Å; M628-W666 HydrophobicContact CE-CB 3.53Å; M628-W666 HydrophobicContact CE-CD2 4.23Å; M628-W666 HydrophobicContact CE-CG 3.69Å | ||
| 629 | S | 80.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | trans | -149.8 | 152.6 | -175.6 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | K627 S631 K632 N633 N634 | K627-S629 PolarHBondContact O-N 3.41Å; S629-S631 VanDerWaalsContact C-N 3.33Å; S629-S631 PolarHBondContact OG-OG 3.07Å; S629-K632 WeakPolarHBondContact OG-CB 3.31Å; S629-K632 PolarHBondContact OG-N 3.32Å; S629-N633 PolarHBondContact O-N 3.17Å; S629-N634 PolarHBondContact N-OD1 3.22Å; S629-N634 PolarHBondContact O-N 3.05Å; S629-N634 PolarHBondContact O-OD1 2.69Å; S629-N634 PolarHBondContact OG-OD1 2.95Å | ||
| 630 | K | 75.9 | Confident | 87.9 | Confident | 149 Ų | 149 | 47 Ų | 47 | 65% | 0.648 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -37.4 | 172.8 | -69 | -178.7 | 179.8 | 178.4 | 0 | 111.4 | S53 K632 N633 | S53-K630 VanDerWaalsContact CB-NZ 3.3Å; S53-K630 PolarHBondContact O-NZ 2.97Å; S53-K630 PolarHBondContact OG-NZ 3.47Å; S53-K630 VanDerWaalsContact OG-NZ 3.14Å; K630-K632 PolarHBondContact O-N 3.4Å; K630-N633 PolarHBondContact O-N 3.11Å |
| 631 | S | 74.2 | Confident | 87.6 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -36.8 | -177.5 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | W593 S629 | W593-S631 VanDerWaalsContact CD1-O 3.26Å; S629-S631 VanDerWaalsContact C-N 3.33Å; S629-S631 PolarHBondContact OG-OG 3.07Å |
| 632 | K | 84.8 | Confident | 87.4 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.3 | 176.8 | -60.8 | -172.6 | 179.3 | -178.8 | 0 | 114.3 | A581 W593 S626 S629 K630 N634 | A581-K632 HydrophobicContact CB-CB 4.45Å; A581-K632 HydrophobicContact CB-CD 4.33Å; W593-K632 WeakPolarHBondContact CB-O 3.33Å; W593-K632 HydrophobicContact CD2-CB 3.97Å; W593-K632 HydrophobicContact CD2-CG 4.23Å; W593-K632 HydrophobicContact CE3-CB 3.67Å; W593-K632 HydrophobicContact CE3-CG 4.06Å; W593-K632 HydrophobicContact CH2-CB 4.3Å; W593-K632 HydrophobicContact CH2-CD 3.85Å; W593-K632 HydrophobicContact CH2-CG 3.77Å; W593-K632 HydrophobicContact CZ2-CD 4.42Å; W593-K632 HydrophobicContact CZ2-CG 3.9Å; W593-K632 HydrophobicContact CZ3-CB 3.87Å; W593-K632 HydrophobicContact CZ3-CD 3.95Å; W593-K632 HydrophobicContact CZ3-CG 3.85Å; S626-K632 PolarHBondContact OG-NZ 3.12Å; S629-K632 WeakPolarHBondContact OG-CB 3.31Å; S629-K632 PolarHBondContact OG-N 3.32Å; K630-K632 PolarHBondContact O-N 3.4Å; K632-N634 PolarHBondContact O-N 3.25Å |
| 633 | N | 88.7 | Confident | 87.2 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 28.9 | -177 | -161.3 | 25.3 | 0 | 0 | 0 | 114.2 | W593 S595 S629 K630 | W593-N633 HydrophobicContact CB-CB 3.71Å; W593-N633 PolarHBondContact O-ND2 3.15Å; S595-N633 WeakPolarHBondContact CA-O 3.45Å; S629-N633 PolarHBondContact O-N 3.17Å; K630-N633 PolarHBondContact O-N 3.11Å |
| 634 | N | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -104.7 | 9.7 | -176.1 | 71.5 | -28.6 | 0 | 0 | 0 | 113.5 | A579 D580 A581 P596 S626 K627 M628 S629 K632 I636 | A579-N634 HydrophobicContact CB-CB 4.42Å; A579-N634 WeakPolarHBondContact CB-O 3.38Å; A579-N634 PolarHBondContact O-ND2 3.05Å; D580-N634 VanDerWaalsContact O-CB 3.26Å; D580-N634 WeakPolarHBondContact O-CB 3.26Å; A581-N634 HydrophobicContact CB-CB 4.1Å; P596-N634 HydrophobicContact CG-CB 4.11Å; S626-N634 PolarHBondContact O-ND2 3.39Å; K627-N634 PolarHBondContact O-ND2 2.83Å; K627-N634 PolarHBondContact O-OD1 3.45Å; M628-N634 WeakPolarHBondContact CA-OD1 3.01Å; S629-N634 PolarHBondContact N-OD1 3.22Å; S629-N634 PolarHBondContact O-N 3.05Å; S629-N634 PolarHBondContact O-OD1 2.69Å; S629-N634 PolarHBondContact OG-OD1 2.95Å; K632-N634 PolarHBondContact O-N 3.25Å; N634-I636 PolarHBondContact O-N 2.96Å | ||
| 635 | G | 86.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 123.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 636 | I | 86.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 123.4 | 170.4 | -58.1 | -64.4 | 0 | 0 | 0 | 108.2 | M58 P596 V597 M628 N634 P638 M641 W666 | M58-I636 HydrophobicContact CG-CB 3.99Å; M58-I636 HydrophobicContact CG-CG2 4.28Å; P596-I636 HydrophobicContact CB-CD1 4.37Å; V597-I636 HydrophobicContact CG2-CD1 3.48Å; V597-I636 VanDerWaalsContact CG2-CD1 3.48Å; M628-I636 HydrophobicContact CE-CB 3.9Å; M628-I636 HydrophobicContact CE-CG1 3.65Å; M628-I636 HydrophobicContact SD-CB 4.4Å; N634-I636 PolarHBondContact O-N 2.96Å; I636-P638 WeakPolarHBondContact O-CD 3.34Å; I636-M641 HydrophobicContact CG2-CE 3.9Å; I636-M641 HydrophobicContact CG2-CG 4.23Å; I636-W666 HydrophobicContact CG1-CG 4.35Å; I636-W666 HydrophobicContact CG2-CZ2 4.02Å |
| 637 | D | 85.1 | Confident | 88.1 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 118.8 | 173.9 | -172.7 | -15.2 | 0 | 0 | 0 | 109.7 | R55 Q119 Q639 V640 | R55-D637 IonicContact CZ-OD2 3.34Å; R55-D637 IonicContact NE-OD2 3.33Å; R55-D637 PolarHBondContact NE-OD2 3.2Å; R55-D637 IonicContact NH1-OD2 2.88Å; R55-D637 PolarHBondContact NH1-OD2 2.93Å; R55-D637 IonicContact NH2-OD2 3.6Å; R55-D637 PolarHBondContact NH2-OD2 3.34Å; Q119-D637 PolarHBondContact NE2-OD1 2.93Å; D637-Q639 PolarHBondContact O-N 3.12Å; D637-Q639 VanDerWaalsContact OD1-CB 3.23Å; D637-Q639 WeakPolarHBondContact OD1-CB 3.46Å; D637-Q639 PolarHBondContact OD1-N 3.35Å; D637-V640 HydrophobicContact CB-CG2 4.5Å; D637-V640 PolarHBondContact O-N 2.91Å |
| 638 | P | 87.6 | Confident | 88.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -25.8 | 178.3 | 26.2 | -35.4 | 0 | 0 | 0 | 113.2 | L56 M58 V61 I636 V640 M641 V642 | L56-P638 HydrophobicContact CB-CG 3.81Å; L56-P638 VanDerWaalsContact O-CD 3.32Å; L56-P638 WeakPolarHBondContact O-CD 3.32Å; M58-P638 HydrophobicContact SD-CB 3.82Å; V61-P638 HydrophobicContact CG2-CB 3.55Å; V61-P638 HydrophobicContact CG2-CG 3.73Å; I636-P638 WeakPolarHBondContact O-CD 3.34Å; P638-V640 VanDerWaalsContact C-N 3.29Å; P638-V640 PolarHBondContact O-N 2.81Å; P638-M641 PolarHBondContact O-N 3.43Å; P638-V642 WeakPolarHBondContact O-CG2 3.47Å; P638-V642 PolarHBondContact O-N 3.5Å |
| 639 | Q | 88.5 | Confident | 89.2 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -45.1 | -178.9 | -170.6 | 66.6 | 25.3 | 0 | 0 | 111.8 | M122 D637 M641 V642 E643 | M122-Q639 PolarHBondContact SD-NE2 2.91Å; M122-Q639 VanDerWaalsContact SD-NE2 3.38Å; D637-Q639 PolarHBondContact O-N 3.12Å; D637-Q639 VanDerWaalsContact OD1-CB 3.23Å; D637-Q639 WeakPolarHBondContact OD1-CB 3.46Å; D637-Q639 PolarHBondContact OD1-N 3.35Å; Q639-M641 VanDerWaalsContact C-N 3.25Å; Q639-M641 PolarHBondContact O-N 3Å; Q639-V642 PolarHBondContact O-N 2.82Å; Q639-E643 VanDerWaalsContact CG-OE1 3.29Å; Q639-E643 WeakPolarHBondContact CG-OE1 3.34Å; Q639-E643 PolarHBondContact NE2-OE1 2.82Å; Q639-E643 WeakPolarHBondContact O-CB 3.22Å; Q639-E643 VanDerWaalsContact O-CG 3.31Å; Q639-E643 WeakPolarHBondContact O-CG 3.48Å; Q639-E643 PolarHBondContact O-N 3.06Å |
| 640 | V | 87.7 | Confident | 90 | Very high | 60 Ų | 60 | 41 Ų | 41 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -37 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111 | D637 P638 R644 | D637-V640 HydrophobicContact CB-CG2 4.5Å; D637-V640 PolarHBondContact O-N 2.91Å; P638-V640 VanDerWaalsContact C-N 3.29Å; P638-V640 PolarHBondContact O-N 2.81Å; V640-R644 VanDerWaalsContact O-CB 3.32Å; V640-R644 WeakPolarHBondContact O-CB 3.38Å; V640-R644 PolarHBondContact O-N 3.19Å |
| 641 | M | 91 | Very high | 91.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.7 | -38.5 | -179.1 | -59.9 | -63 | 160 | 0 | 0 | 111.7 | I636 P638 Q639 R644 Y645 V650 W666 | I636-M641 HydrophobicContact CG2-CE 3.9Å; I636-M641 HydrophobicContact CG2-CG 4.23Å; P638-M641 PolarHBondContact O-N 3.43Å; Q639-M641 VanDerWaalsContact C-N 3.25Å; Q639-M641 PolarHBondContact O-N 3Å; M641-R644 PolarHBondContact O-N 2.84Å; M641-Y645 PolarHBondContact O-N 2.97Å; M641-Y645 HydrophobicContact SD-CE2 4.44Å; M641-V650 HydrophobicContact CB-CG2 3.73Å; M641-W666 HydrophobicContact CE-CZ2 4.17Å; M641-W666 HydrophobicContact CG-CH2 4.02Å; M641-W666 HydrophobicContact CG-CZ2 3.71Å; M641-W666 HydrophobicContact SD-CZ2 3.91Å |
| 642 | V | 93.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.7 | 172 | 0 | 0 | 0 | 0 | 110.4 | M122 L123 P638 Q639 R644 G646 A647 V650 | M122-V642 HydrophobicContact CE-CG1 4.09Å; L123-V642 HydrophobicContact CD2-CG2 3.7Å; L123-V642 HydrophobicContact CG-CG2 4.39Å; P638-V642 WeakPolarHBondContact O-CG2 3.47Å; P638-V642 PolarHBondContact O-N 3.5Å; Q639-V642 PolarHBondContact O-N 2.82Å; V642-R644 VanDerWaalsContact C-N 3.27Å; V642-R644 PolarHBondContact O-N 2.81Å; V642-G646 WeakPolarHBondContact O-CA 3.43Å; V642-G646 PolarHBondContact O-N 3.44Å; V642-A647 HydrophobicContact CG1-CB 4.28Å; V642-V650 HydrophobicContact CG2-CG2 4.13Å |
| 643 | E | 93.1 | Very high | 92.8 | Very high | 137 Ų | 137 | 26.7 Ų | 26.7 | 64% | 0.64 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -62.8 | -33.8 | 177.6 | -73.5 | 170.7 | -173.8 | 0 | 0 | 112.6 | Q639 | Q639-E643 VanDerWaalsContact CG-OE1 3.29Å; Q639-E643 WeakPolarHBondContact CG-OE1 3.34Å; Q639-E643 PolarHBondContact NE2-OE1 2.82Å; Q639-E643 WeakPolarHBondContact O-CB 3.22Å; Q639-E643 VanDerWaalsContact O-CG 3.31Å; Q639-E643 WeakPolarHBondContact O-CG 3.48Å; Q639-E643 PolarHBondContact O-N 3.06Å |
| 644 | R | 91.6 | Very high | 93.1 | Very high | 140 Ų | 140 | 22.9 Ų | 22.9 | 53% | 0.528 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -80.7 | -41.1 | -179.2 | -174.3 | 177.1 | -65.9 | 175.9 | 1.6 | 113.5 | V640 M641 V642 E668 | V640-R644 VanDerWaalsContact O-CB 3.32Å; V640-R644 WeakPolarHBondContact O-CB 3.38Å; V640-R644 PolarHBondContact O-N 3.19Å; M641-R644 PolarHBondContact O-N 2.84Å; V642-R644 VanDerWaalsContact C-N 3.27Å; V642-R644 PolarHBondContact O-N 2.81Å; R644-E668 IonicContact CZ-OE1 2.74Å; R644-E668 IonicContact NH1-OE1 3.83Å; R644-E668 PolarHBondContact NH1-OE1 3.27Å |
| 645 | Y | 95.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 23.1 Ų | 23.1 | 12% | 0.122 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -122.3 | -9 | -168 | -63.5 | -72.1 | 0 | 0 | 0 | 115 | M641 T649 V671 E672 N675 | M641-Y645 PolarHBondContact O-N 2.97Å; M641-Y645 HydrophobicContact SD-CE2 4.44Å; Y645-T649 HydrophobicContact CG-CG2 4.36Å; Y645-T649 WeakPolarHBondContact O-CB 3.47Å; Y645-T649 PolarHBondContact O-OG1 2.96Å; Y645-V671 HydrophobicContact CD2-CG1 3.54Å; Y645-V671 HydrophobicContact CE2-CB 4.47Å; Y645-V671 HydrophobicContact CE2-CG1 3.88Å; Y645-V671 HydrophobicContact CG-CG1 3.93Å; Y645-E672 HydrophobicContact CE1-CG 4.38Å; Y645-N675 HydrophobicContact CD1-CB 4.2Å; Y645-N675 PolarHBondContact O-ND2 3.37Å |
| 646 | G | 97.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | 83.9 | 150.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E19 V642 D648 T649 V650 | E19-G646 VanDerWaalsContact OE1-C 3.31Å; E19-G646 WeakPolarHBondContact OE1-CA 3.14Å; E19-G646 WeakPolarHBondContact OE2-CA 3.4Å; V642-G646 WeakPolarHBondContact O-CA 3.43Å; V642-G646 PolarHBondContact O-N 3.44Å; G646-D648 VanDerWaalsContact C-N 3.3Å; G646-D648 PolarHBondContact O-N 3.4Å; G646-T649 PolarHBondContact O-N 3.36Å; G646-V650 PolarHBondContact O-N 3.32Å | ||
| 647 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.3 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E19 M122 L123 V642 T649 V650 R651 | E19-A647 PolarHBondContact OE1-N 3.01Å; E19-A647 PolarHBondContact OE2-N 2.83Å; M122-A647 WeakPolarHBondContact O-CB 3.31Å; L123-A647 HydrophobicContact CD2-CB 4.4Å; V642-A647 HydrophobicContact CG1-CB 4.28Å; A647-T649 VanDerWaalsContact C-N 3.31Å; A647-T649 PolarHBondContact O-N 2.88Å; A647-V650 PolarHBondContact O-N 2.85Å; A647-V650 VanDerWaalsContact O-N 3.17Å; A647-R651 WeakPolarHBondContact O-CB 3.37Å; A647-R651 VanDerWaalsContact O-CG 3.25Å; A647-R651 WeakPolarHBondContact O-CG 3.2Å; A647-R651 PolarHBondContact O-N 3.36Å |
| 648 | D | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | -178.7 | -80.7 | -13.5 | 0 | 0 | 0 | 112.2 | E19 G646 L652 L678 T773 P774 H775 I776 | E19-D648 PolarHBondContact OE1-N 2.97Å; G646-D648 VanDerWaalsContact C-N 3.3Å; G646-D648 PolarHBondContact O-N 3.4Å; D648-L652 VanDerWaalsContact O-CB 3.26Å; D648-L652 WeakPolarHBondContact O-CB 3.29Å; D648-L652 PolarHBondContact O-N 2.96Å; D648-L678 HydrophobicContact CB-CD1 3.85Å; D648-T773 HydrophobicContact CB-CG2 3.77Å; D648-T773 VanDerWaalsContact O-CG2 3.26Å; D648-T773 WeakPolarHBondContact O-CG2 3.37Å; D648-T773 VanDerWaalsContact OD1-C 3.24Å; D648-T773 WeakPolarHBondContact OD1-CA 3.42Å; D648-P774 WeakPolarHBondContact OD1-CD 3.42Å; D648-H775 IonicContact OD1-CE1 3.57Å; D648-H775 IonicContact OD1-CG 3.8Å; D648-H775 PolarHBondContact OD1-N 2.64Å; D648-H775 IonicContact OD1-ND1 3.22Å; D648-H775 PolarHBondContact OD1-ND1 3.31Å; D648-H775 WeakPolarHBondContact OD2-CB 3.1Å; D648-H775 PolarHBondContact OD2-N 3.46Å; D648-H775 IonicContact OD2-ND1 2.76Å; D648-I776 WeakPolarHBondContact OD2-CB 3.37Å; D648-I776 VanDerWaalsContact OD2-CG2 3.23Å; D648-I776 WeakPolarHBondContact OD2-CG2 3.31Å; D648-I776 PolarHBondContact OD2-N 2.95Å |
| 649 | T | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | Y645 G646 A647 L652 F653 V671 A674 N675 | Y645-T649 HydrophobicContact CG-CG2 4.36Å; Y645-T649 WeakPolarHBondContact O-CB 3.47Å; Y645-T649 PolarHBondContact O-OG1 2.96Å; G646-T649 PolarHBondContact O-N 3.36Å; A647-T649 VanDerWaalsContact C-N 3.31Å; A647-T649 PolarHBondContact O-N 2.88Å; T649-L652 PolarHBondContact O-N 2.77Å; T649-F653 WeakPolarHBondContact O-CB 3.47Å; T649-F653 PolarHBondContact O-N 2.96Å; T649-V671 HydrophobicContact CG2-CG1 3.69Å; T649-V671 VanDerWaalsContact CG2-O 3.29Å; T649-V671 WeakPolarHBondContact CG2-O 3.49Å; T649-A674 HydrophobicContact CG2-CB 4.01Å; T649-N675 HydrophobicContact CG2-CB 3.72Å; T649-N675 PolarHBondContact OG1-ND2 3.37Å |
| 650 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | M58 V61 M641 V642 G646 A647 F653 M654 | M58-V650 HydrophobicContact CE-CG1 3.95Å; V61-V650 HydrophobicContact CG1-CG1 4.14Å; M641-V650 HydrophobicContact CB-CG2 3.73Å; V642-V650 HydrophobicContact CG2-CG2 4.13Å; G646-V650 PolarHBondContact O-N 3.32Å; A647-V650 PolarHBondContact O-N 2.85Å; A647-V650 VanDerWaalsContact O-N 3.17Å; V650-F653 PolarHBondContact O-N 3Å; V650-M654 VanDerWaalsContact O-CG 3.26Å; V650-M654 WeakPolarHBondContact O-CG 3.31Å; V650-M654 PolarHBondContact O-N 3.36Å |
| 651 | R | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 177.8 | -70.6 | 170.4 | 61.2 | 113.7 | 7.8 | 112 | T65 D68 L123 A647 F653 M654 M655 P771 F772 | T65-R651 HydrophobicContact CG2-CB 3.76Å; T65-R651 HydrophobicContact CG2-CG 3.94Å; D68-R651 IonicContact OD2-CZ 3.86Å; D68-R651 IonicContact OD2-NH1 3.5Å; D68-R651 PolarHBondContact OD2-NH1 3.01Å; D68-R651 IonicContact OD2-NH2 2.71Å; D68-R651 PolarHBondContact OD2-NH2 3.33Å; L123-R651 WeakPolarHBondContact O-CD 3.23Å; L123-R651 PolarHBondContact O-NH1 3.08Å; A647-R651 WeakPolarHBondContact O-CB 3.37Å; A647-R651 VanDerWaalsContact O-CG 3.25Å; A647-R651 WeakPolarHBondContact O-CG 3.2Å; A647-R651 PolarHBondContact O-N 3.36Å; R651-F653 VanDerWaalsContact C-N 3.34Å; R651-F653 PolarHBondContact O-N 3.14Å; R651-M654 PolarHBondContact O-N 3.28Å; R651-M655 WeakPolarHBondContact O-CG 3.24Å; R651-M655 PolarHBondContact O-N 2.6Å; R651-M655 VanDerWaalsContact O-N 3.07Å; R651-P771 PolarHBondContact NH2-O 2.96Å; R651-P771 VanDerWaalsContact NH2-O 3.07Å; R651-F772 WeakPolarHBondContact CB-O 3.45Å; R651-F772 PolarHBondContact NE-O 3.36Å |
| 652 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | -180 | -174.2 | 70.9 | 0 | 0 | 0 | 111.5 | D648 T649 M654 M655 F656 A674 F677 L678 I734 L769 F772 T773 | D648-L652 VanDerWaalsContact O-CB 3.26Å; D648-L652 WeakPolarHBondContact O-CB 3.29Å; D648-L652 PolarHBondContact O-N 2.96Å; T649-L652 PolarHBondContact O-N 2.77Å; L652-M654 VanDerWaalsContact C-N 3.33Å; L652-M654 PolarHBondContact O-N 2.83Å; L652-M655 PolarHBondContact O-N 3.49Å; L652-F656 WeakPolarHBondContact O-CB 3.43Å; L652-F656 PolarHBondContact O-N 3.4Å; L652-A674 HydrophobicContact CB-CB 4.35Å; L652-A674 HydrophobicContact CD2-CB 4.07Å; L652-A674 HydrophobicContact CG-CB 4.37Å; L652-F677 HydrophobicContact CD2-CD1 3.47Å; L652-F677 VanDerWaalsContact CD2-CD1 3.47Å; L652-F677 HydrophobicContact CD2-CE1 3.97Å; L652-L678 HydrophobicContact CD2-CD2 4Å; L652-L678 HydrophobicContact CD2-CG 4.16Å; L652-I734 HydrophobicContact CD1-CD1 3.73Å; L652-I734 HydrophobicContact CD1-CG1 3.89Å; L652-I734 HydrophobicContact CD1-CG2 3.86Å; L652-L769 HydrophobicContact CD1-CD2 4.4Å; L652-F772 HydrophobicContact CD1-CB 4.07Å; L652-T773 HydrophobicContact CB-CG2 3.72Å; L652-T773 HydrophobicContact CD1-CG2 4.24Å; L652-T773 HydrophobicContact CG-CG2 4.39Å |
| 653 | F | 96.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.5 | 165 | -101.4 | 0 | 0 | 0 | 111 | T649 V650 R651 M655 F656 A657 L664 W666 V671 A674 | T649-F653 WeakPolarHBondContact O-CB 3.47Å; T649-F653 PolarHBondContact O-N 2.96Å; V650-F653 PolarHBondContact O-N 3Å; R651-F653 VanDerWaalsContact C-N 3.34Å; R651-F653 PolarHBondContact O-N 3.14Å; F653-M655 VanDerWaalsContact C-N 3.26Å; F653-M655 PolarHBondContact O-N 3.36Å; F653-F656 PolarHBondContact O-N 3.04Å; F653-F656 VanDerWaalsContact O-N 3.11Å; F653-A657 HydrophobicContact CD2-CB 4.21Å; F653-A657 HydrophobicContact CE1-CB 4.49Å; F653-A657 HydrophobicContact CE2-CB 3.7Å; F653-A657 HydrophobicContact CZ-CB 3.87Å; F653-A657 VanDerWaalsContact O-CB 3.3Å; F653-A657 WeakPolarHBondContact O-CB 3.34Å; F653-A657 PolarHBondContact O-N 3.31Å; F653-L664 HydrophobicContact CE1-CD2 4.4Å; F653-W666 HydrophobicContact CD1-CE3 4.23Å; F653-W666 HydrophobicContact CD1-CH2 4.22Å; F653-W666 AromaticContact CD1-CZ3 3.62Å; F653-W666 HydrophobicContact CD1-CZ3 3.62Å; F653-W666 HydrophobicContact CE1-CD2 4.29Å; F653-W666 AromaticContact CE1-CE3 3.46Å; F653-W666 HydrophobicContact CE1-CE3 3.46Å; F653-W666 VanDerWaalsContact CE1-CE3 3.46Å; F653-W666 HydrophobicContact CE1-CH2 4.14Å; F653-W666 AromaticContact CE1-CZ3 3.33Å; F653-W666 HydrophobicContact CE1-CZ3 3.33Å; F653-W666 HydrophobicContact CZ-CE3 4.34Å; F653-W666 HydrophobicContact CZ-CZ3 4.48Å; F653-V671 HydrophobicContact CB-CG2 4.42Å; F653-V671 HydrophobicContact CD1-CG2 3.79Å; F653-V671 HydrophobicContact CD2-CG2 4.21Å; F653-V671 HydrophobicContact CE1-CG2 4.13Å; F653-V671 HydrophobicContact CE2-CG2 4.5Å; F653-V671 HydrophobicContact CG-CB 4.49Å; F653-V671 HydrophobicContact CG-CG2 3.83Å; F653-V671 HydrophobicContact CZ-CG2 4.46Å; F653-A674 HydrophobicContact CB-CB 3.97Å |
| 654 | M | 95.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -36.9 | -178.9 | -74.5 | -55.9 | -55.9 | 0 | 0 | 112.9 | M58 V61 R62 V577 V650 R651 L652 L664 W666 | M58-M654 HydrophobicContact CE-CE 4.34Å; M58-M654 HydrophobicContact CE-CG 3.69Å; M58-M654 HydrophobicContact CE-SD 3.32Å; M58-M654 WeakPolarHBondContact CE-SD 2.84Å; V61-M654 HydrophobicContact CG1-CG 4.25Å; R62-M654 HydrophobicContact CB-CE 3.38Å; R62-M654 HydrophobicContact CG-CE 3.5Å; V577-M654 HydrophobicContact CG2-CE 4.01Å; V650-M654 VanDerWaalsContact O-CG 3.26Å; V650-M654 WeakPolarHBondContact O-CG 3.31Å; V650-M654 PolarHBondContact O-N 3.36Å; R651-M654 PolarHBondContact O-N 3.28Å; L652-M654 VanDerWaalsContact C-N 3.33Å; L652-M654 PolarHBondContact O-N 2.83Å; M654-L664 HydrophobicContact CE-CD1 3.62Å; M654-L664 HydrophobicContact CE-CD2 4.17Å; M654-L664 HydrophobicContact CE-CG 4.5Å; M654-L664 WeakPolarHBondContact O-CD1 3.21Å; M654-L664 HydrophobicContact SD-CD1 4.09Å; M654-L664 HydrophobicContact SD-CD2 4.19Å; M654-W666 HydrophobicContact SD-CE3 4.03Å; M654-W666 HydrophobicContact SD-CZ3 3.77Å |
| 655 | M | 97.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -83.3 | -22.7 | 178.6 | -62 | -56 | 92.3 | 0 | 0 | 113.2 | R62 T65 I66 V69 R651 L652 F653 F730 N731 I734 F772 | R62-M655 HydrophobicContact CG-CE 4.32Å; T65-M655 HydrophobicContact CG2-CE 3.88Å; T65-M655 HydrophobicContact CG2-CG 3.63Å; T65-M655 HydrophobicContact CG2-SD 3.87Å; I66-M655 HydrophobicContact CG1-CE 3.76Å; I66-M655 HydrophobicContact CG1-SD 3.69Å; V69-M655 HydrophobicContact CG2-CG 4.15Å; V69-M655 HydrophobicContact CG2-SD 4.36Å; R651-M655 WeakPolarHBondContact O-CG 3.24Å; R651-M655 PolarHBondContact O-N 2.6Å; R651-M655 VanDerWaalsContact O-N 3.07Å; L652-M655 PolarHBondContact O-N 3.49Å; F653-M655 VanDerWaalsContact C-N 3.26Å; F653-M655 PolarHBondContact O-N 3.36Å; M655-F730 HydrophobicContact CB-CB 4.13Å; M655-F730 HydrophobicContact SD-CD2 4.12Å; M655-F730 HydrophobicContact SD-CG 4.47Å; M655-N731 VanDerWaalsContact O-CA 3.24Å; M655-N731 WeakPolarHBondContact O-CA 3.28Å; M655-N731 WeakPolarHBondContact O-CB 3.42Å; M655-N731 PolarHBondContact O-N 2.92Å; M655-N731 VanDerWaalsContact O-N 3.09Å; M655-I734 HydrophobicContact CB-CD1 3.58Å; M655-F772 HydrophobicContact CB-CD1 4.02Å; M655-F772 HydrophobicContact CB-CE1 4.38Å; M655-F772 HydrophobicContact CG-CD1 4.04Å |
| 656 | F | 97.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 28.8 Ų | 28.8 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -88.2 | -35 | -179.3 | -178 | -119.3 | 0 | 0 | 0 | 113.4 | L652 F653 S658 N731 I734 A735 M738 | L652-F656 WeakPolarHBondContact O-CB 3.43Å; L652-F656 PolarHBondContact O-N 3.4Å; F653-F656 PolarHBondContact O-N 3.04Å; F653-F656 VanDerWaalsContact O-N 3.11Å; F656-S658 PolarHBondContact O-N 3.34Å; F656-N731 VanDerWaalsContact O-CB 3.29Å; F656-N731 WeakPolarHBondContact O-CB 3.3Å; F656-I734 HydrophobicContact CB-CD1 4.06Å; F656-I734 HydrophobicContact CB-CG2 4.19Å; F656-I734 HydrophobicContact CD2-CB 3.98Å; F656-I734 HydrophobicContact CD2-CG2 3.59Å; F656-I734 HydrophobicContact CE2-CG2 4.29Å; F656-I734 HydrophobicContact CG-CG2 4.09Å; F656-A735 HydrophobicContact CE2-CB 4.25Å; F656-M738 HydrophobicContact CD1-CE 4.4Å; F656-M738 HydrophobicContact CD2-CE 4.42Å; F656-M738 HydrophobicContact CE1-CE 4.35Å; F656-M738 HydrophobicContact CE1-SD 4.44Å; F656-M738 HydrophobicContact CE2-CE 4.37Å; F656-M738 HydrophobicContact CE2-SD 4Å; F656-M738 HydrophobicContact CG-CE 4.44Å; F656-M738 HydrophobicContact CZ-CE 4.33Å; F656-M738 HydrophobicContact CZ-SD 3.92Å |
| 657 | A | 93.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -65.4 | -33.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114 | F653 L664 | F653-A657 HydrophobicContact CD2-CB 4.21Å; F653-A657 HydrophobicContact CE1-CB 4.49Å; F653-A657 HydrophobicContact CE2-CB 3.7Å; F653-A657 HydrophobicContact CZ-CB 3.87Å; F653-A657 VanDerWaalsContact O-CB 3.3Å; F653-A657 WeakPolarHBondContact O-CB 3.34Å; F653-A657 PolarHBondContact O-N 3.31Å; A657-L664 HydrophobicContact CB-CD1 3.75Å; A657-L664 HydrophobicContact CB-CG 4.04Å |
| 658 | S | 94.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -158.9 | 148.6 | -177 | -170.1 | 0 | 0 | 0 | 0 | 111 | F656 M662 T663 | F656-S658 PolarHBondContact O-N 3.34Å; S658-M662 WeakPolarHBondContact OG-CB 3.44Å; S658-T663 PolarHBondContact OG-O 2.7Å |
| 659 | P | 95.3 | Very high | 92.7 | Very high | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | trans | -50.6 | 149.2 | 168.1 | -24.3 | 33.9 | 0 | 0 | 0 | 112.1 | R62 D661 M662 | R62-P659 PolarHBondContact NH2-O 3.08Å; P659-D661 VanDerWaalsContact C-N 3.33Å; P659-D661 WeakPolarHBondContact CB-OD1 3.34Å; P659-D661 PolarHBondContact O-N 3.48Å; P659-M662 HydrophobicContact CB-CB 4.31Å; P659-M662 HydrophobicContact CB-CG 4.16Å; P659-M662 HydrophobicContact CG-CG 4.28Å; P659-M662 HydrophobicContact CG-SD 4.05Å; P659-M662 PolarHBondContact O-N 2.81Å; P659-M662 VanDerWaalsContact O-N 3.14Å | ||
| 660 | A | 94.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -42.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I66 L572 Q574 G575 F730 | I66-A660 HydrophobicContact CD1-CB 3.92Å; L572-A660 HydrophobicContact CD1-CB 4.22Å; L572-A660 HydrophobicContact CD2-CB 4.26Å; Q574-A660 CarbonylContact C-O 3.51Å; Q574-A660 WeakPolarHBondContact CA-O 3.5Å; Q574-A660 WeakPolarHBondContact CB-O 3.45Å; G575-A660 PolarHBondContact N-O 3.42Å; A660-F730 HydrophobicContact CB-CD2 4.14Å; A660-F730 HydrophobicContact CB-CE2 3.87Å |
| 661 | D | 91.5 | Very high | 92 | Very high | 105 Ų | 105 | 41.2 Ų | 41.2 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -15.9 | -178.9 | 62.4 | -22.2 | 0 | 0 | 0 | 114.2 | C573 P659 | C573-D661 WeakPolarHBondContact O-CA 3.3Å; P659-D661 VanDerWaalsContact C-N 3.33Å; P659-D661 WeakPolarHBondContact CB-OD1 3.34Å; P659-D661 PolarHBondContact O-N 3.48Å |
| 662 | M | 92.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 53% | 0.532 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -88.9 | 152.7 | 176.9 | -69.4 | -162.7 | 176.6 | 0 | 0 | 112.1 | R62 G575 S658 P659 | R62-M662 VanDerWaalsContact CZ-O 3.22Å; R62-M662 PolarHBondContact NH1-O 2.87Å; R62-M662 PolarHBondContact NH2-O 2.88Å; G575-M662 WeakPolarHBondContact CA-O 3.37Å; S658-M662 WeakPolarHBondContact OG-CB 3.44Å; P659-M662 HydrophobicContact CB-CB 4.31Å; P659-M662 HydrophobicContact CB-CG 4.16Å; P659-M662 HydrophobicContact CG-CG 4.28Å; P659-M662 HydrophobicContact CG-SD 4.05Å; P659-M662 PolarHBondContact O-N 2.81Å; P659-M662 VanDerWaalsContact O-N 3.14Å |
| 663 | T | 89.3 | Confident | 91.5 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | trans | -59.1 | 145.1 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | M576 L578 S658 | M576-T663 HydrophobicContact CB-CG2 4.43Å; M576-T663 CarbonylContact O-C 3.55Å; M576-T663 VanDerWaalsContact O-CA 3.3Å; M576-T663 WeakPolarHBondContact O-CA 3.32Å; L578-T663 HydrophobicContact CD1-CG2 4.4Å; S658-T663 PolarHBondContact OG-O 2.7Å | ||
| 664 | L | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.8 | 177.3 | -179.2 | 152.5 | 0 | 0 | 0 | 109.6 | R62 M576 V577 L578 F653 M654 A657 | R62-L664 VanDerWaalsContact CZ-CB 3.46Å; M576-L664 PolarHBondContact O-N 3.27Å; V577-L664 HydrophobicContact CG1-CD2 3.95Å; L578-L664 PolarHBondContact N-O 2.88Å; F653-L664 HydrophobicContact CE1-CD2 4.4Å; M654-L664 HydrophobicContact CE-CD1 3.62Å; M654-L664 HydrophobicContact CE-CD2 4.17Å; M654-L664 HydrophobicContact CE-CG 4.5Å; M654-L664 WeakPolarHBondContact O-CD1 3.21Å; M654-L664 HydrophobicContact SD-CD1 4.09Å; M654-L664 HydrophobicContact SD-CD2 4.19Å; A657-L664 HydrophobicContact CB-CD1 3.75Å; A657-L664 HydrophobicContact CB-CG 4.04Å |
| 665 | E | 89.2 | Confident | 91.7 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 110.4 | 173.5 | -72 | -169 | -172.6 | 0 | 0 | 109.6 | M625 Q667 | M625-E665 HydrophobicContact CE-CB 3.34Å; M625-E665 HydrophobicContact CE-CG 3.68Å; M625-E665 HydrophobicContact CG-CG 4.49Å; M625-E665 HydrophobicContact SD-CB 3.79Å; M625-E665 VanDerWaalsContact SD-CD 3.51Å; M625-E665 HydrophobicContact SD-CG 3.48Å; M625-E665 WeakPolarHBondContact SD-CG 3.48Å; E665-Q667 PolarHBondContact O-N 3.44Å |
| 666 | W | 87.6 | Confident | 91.7 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | trans | -70.1 | 119.2 | 178.3 | 178.9 | -90.7 | 0 | 0 | 0 | 110.5 | M58 V577 L578 M628 I636 M641 F653 M654 V671 | M58-W666 HydrophobicContact CB-CE3 4.35Å; M58-W666 HydrophobicContact CE-CE3 3.81Å; M58-W666 HydrophobicContact CE-CH2 3.71Å; M58-W666 HydrophobicContact CE-CZ3 3.11Å; M58-W666 HydrophobicContact CG-CD2 4.22Å; M58-W666 HydrophobicContact CG-CE3 3.8Å; M58-W666 HydrophobicContact CG-CH2 4.35Å; M58-W666 HydrophobicContact CG-CZ3 3.91Å; M58-W666 HydrophobicContact SD-CE3 4.23Å; M58-W666 HydrophobicContact SD-CH2 3.83Å; M58-W666 HydrophobicContact SD-CZ3 3.7Å; V577-W666 HydrophobicContact CG1-CB 4.4Å; L578-W666 VanDerWaalsContact O-CB 3.23Å; L578-W666 WeakPolarHBondContact O-CB 3.27Å; L578-W666 PolarHBondContact O-N 3.27Å; M628-W666 HydrophobicContact CE-CB 3.53Å; M628-W666 HydrophobicContact CE-CD2 4.23Å; M628-W666 HydrophobicContact CE-CG 3.69Å; I636-W666 HydrophobicContact CG1-CG 4.35Å; I636-W666 HydrophobicContact CG2-CZ2 4.02Å; M641-W666 HydrophobicContact CE-CZ2 4.17Å; M641-W666 HydrophobicContact CG-CH2 4.02Å; M641-W666 HydrophobicContact CG-CZ2 3.71Å; M641-W666 HydrophobicContact SD-CZ2 3.91Å; F653-W666 HydrophobicContact CD1-CE3 4.23Å; F653-W666 HydrophobicContact CD1-CH2 4.22Å; F653-W666 AromaticContact CD1-CZ3 3.62Å; F653-W666 HydrophobicContact CD1-CZ3 3.62Å; F653-W666 HydrophobicContact CE1-CD2 4.29Å; F653-W666 AromaticContact CE1-CE3 3.46Å; F653-W666 HydrophobicContact CE1-CE3 3.46Å; F653-W666 VanDerWaalsContact CE1-CE3 3.46Å; F653-W666 HydrophobicContact CE1-CH2 4.14Å; F653-W666 AromaticContact CE1-CZ3 3.33Å; F653-W666 HydrophobicContact CE1-CZ3 3.33Å; F653-W666 HydrophobicContact CZ-CE3 4.34Å; F653-W666 HydrophobicContact CZ-CZ3 4.48Å; M654-W666 HydrophobicContact SD-CE3 4.03Å; M654-W666 HydrophobicContact SD-CZ3 3.77Å; W666-V671 HydrophobicContact CH2-CG2 3.82Å; W666-V671 HydrophobicContact CZ2-CG2 3.98Å; W666-V671 HydrophobicContact CZ3-CG2 4.46Å | ||
| 667 | Q | 83.1 | Confident | 91.8 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | trans | -138.4 | 122.2 | 174.4 | -62.7 | -168.2 | 11 | 0 | 0 | 110.4 | E665 S669 G670 | E665-Q667 PolarHBondContact O-N 3.44Å; Q667-S669 VanDerWaalsContact C-N 3.27Å; Q667-S669 PolarHBondContact O-N 2.82Å; Q667-G670 PolarHBondContact O-N 3.27Å | ||
| 668 | E | 81.8 | Confident | 92 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -32.2 | -178.2 | -172.1 | 171.5 | -175.4 | 0 | 0 | 112.9 | R644 G670 V671 E672 | R644-E668 IonicContact CZ-OE1 2.74Å; R644-E668 IonicContact NH1-OE1 3.83Å; R644-E668 PolarHBondContact NH1-OE1 3.27Å; E668-G670 PolarHBondContact O-N 3.47Å; E668-V671 WeakPolarHBondContact O-CA 3.5Å; E668-V671 VanDerWaalsContact O-CB 3.25Å; E668-V671 WeakPolarHBondContact O-CB 3.08Å; E668-V671 PolarHBondContact O-N 3.15Å; E668-E672 PolarHBondContact O-N 3.23Å |
| 669 | S | 84.7 | Confident | 92.2 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -30.4 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | Q667 G673 | Q667-S669 VanDerWaalsContact C-N 3.27Å; Q667-S669 PolarHBondContact O-N 2.82Å; S669-G673 PolarHBondContact O-N 2.81Å |
| 670 | G | 88 | Confident | 92.3 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q667 E668 E672 G673 A674 | Q667-G670 PolarHBondContact O-N 3.27Å; E668-G670 PolarHBondContact O-N 3.47Å; G670-E672 VanDerWaalsContact C-N 3.35Å; G670-E672 PolarHBondContact O-N 3.42Å; G670-G673 PolarHBondContact O-N 3.31Å; G670-G673 VanDerWaalsContact O-N 3.15Å; G670-A674 PolarHBondContact O-N 2.82Å |
| 671 | V | 91 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | Y645 T649 F653 W666 E668 G673 A674 N675 | Y645-V671 HydrophobicContact CD2-CG1 3.54Å; Y645-V671 HydrophobicContact CE2-CB 4.47Å; Y645-V671 HydrophobicContact CE2-CG1 3.88Å; Y645-V671 HydrophobicContact CG-CG1 3.93Å; T649-V671 HydrophobicContact CG2-CG1 3.69Å; T649-V671 VanDerWaalsContact CG2-O 3.29Å; T649-V671 WeakPolarHBondContact CG2-O 3.49Å; F653-V671 HydrophobicContact CB-CG2 4.42Å; F653-V671 HydrophobicContact CD1-CG2 3.79Å; F653-V671 HydrophobicContact CD2-CG2 4.21Å; F653-V671 HydrophobicContact CE1-CG2 4.13Å; F653-V671 HydrophobicContact CE2-CG2 4.5Å; F653-V671 HydrophobicContact CG-CB 4.49Å; F653-V671 HydrophobicContact CG-CG2 3.83Å; F653-V671 HydrophobicContact CZ-CG2 4.46Å; W666-V671 HydrophobicContact CH2-CG2 3.82Å; W666-V671 HydrophobicContact CZ2-CG2 3.98Å; W666-V671 HydrophobicContact CZ3-CG2 4.46Å; E668-V671 WeakPolarHBondContact O-CA 3.5Å; E668-V671 VanDerWaalsContact O-CB 3.25Å; E668-V671 WeakPolarHBondContact O-CB 3.08Å; E668-V671 PolarHBondContact O-N 3.15Å; V671-G673 VanDerWaalsContact C-N 3.27Å; V671-G673 PolarHBondContact O-N 3.47Å; V671-A674 WeakPolarHBondContact O-CB 3.4Å; V671-A674 PolarHBondContact O-N 3.34Å; V671-N675 PolarHBondContact O-N 3.43Å |
| 672 | E | 92.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 174.8 | -58 | -176 | 165.1 | 0 | 0 | 112.8 | Y645 E668 G670 N675 R676 | Y645-E672 HydrophobicContact CE1-CG 4.38Å; E668-E672 PolarHBondContact O-N 3.23Å; G670-E672 VanDerWaalsContact C-N 3.35Å; G670-E672 PolarHBondContact O-N 3.42Å; E672-N675 PolarHBondContact O-N 3.11Å; E672-R676 WeakPolarHBondContact O-CG 3.45Å; E672-R676 PolarHBondContact O-N 3.24Å; E672-R676 IonicContact OE2-NH1 2.66Å; E672-R676 PolarHBondContact OE2-NH1 3.47Å |
| 673 | G | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 27% | 0.268 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S669 G670 V671 R676 F677 | S669-G673 PolarHBondContact O-N 2.81Å; G670-G673 PolarHBondContact O-N 3.31Å; G670-G673 VanDerWaalsContact O-N 3.15Å; V671-G673 VanDerWaalsContact C-N 3.27Å; V671-G673 PolarHBondContact O-N 3.47Å; G673-R676 PolarHBondContact O-N 3.27Å; G673-F677 PolarHBondContact O-N 2.88Å; G673-F677 VanDerWaalsContact O-N 3.15Å |
| 674 | A | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | T649 L652 F653 G670 V671 R676 F677 L678 | T649-A674 HydrophobicContact CG2-CB 4.01Å; L652-A674 HydrophobicContact CB-CB 4.35Å; L652-A674 HydrophobicContact CD2-CB 4.07Å; L652-A674 HydrophobicContact CG-CB 4.37Å; F653-A674 HydrophobicContact CB-CB 3.97Å; G670-A674 PolarHBondContact O-N 2.82Å; V671-A674 WeakPolarHBondContact O-CB 3.4Å; V671-A674 PolarHBondContact O-N 3.34Å; A674-R676 PolarHBondContact O-N 3.41Å; A674-F677 WeakPolarHBondContact O-CB 3.49Å; A674-F677 PolarHBondContact O-N 3.08Å; A674-F677 VanDerWaalsContact O-N 3.11Å; A674-L678 PolarHBondContact O-N 3.31Å; A674-L678 VanDerWaalsContact O-N 3.09Å |
| 675 | N | 98 | Very high | 93.9 | Very high | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.9 | -170.3 | -103.5 | 0 | 0 | 0 | 112.1 | Y645 T649 V671 E672 F677 L678 K679 | Y645-N675 HydrophobicContact CD1-CB 4.2Å; Y645-N675 PolarHBondContact O-ND2 3.37Å; T649-N675 HydrophobicContact CG2-CB 3.72Å; T649-N675 PolarHBondContact OG1-ND2 3.37Å; V671-N675 PolarHBondContact O-N 3.43Å; E672-N675 PolarHBondContact O-N 3.11Å; N675-F677 VanDerWaalsContact C-N 3.25Å; N675-F677 PolarHBondContact O-N 3.27Å; N675-L678 PolarHBondContact O-N 2.81Å; N675-K679 PolarHBondContact O-N 3.5Å; N675-K679 WeakPolarHBondContact OD1-CE 3.29Å; N675-K679 PolarHBondContact OD1-NZ 3.2Å |
| 676 | R | 97.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 45.3 Ų | 45.3 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.9 | -74.8 | -171.5 | -64.6 | -93.1 | 0.3 | 111.9 | E672 G673 A674 R680 | E672-R676 WeakPolarHBondContact O-CG 3.45Å; E672-R676 PolarHBondContact O-N 3.24Å; E672-R676 IonicContact OE2-NH1 2.66Å; E672-R676 PolarHBondContact OE2-NH1 3.47Å; G673-R676 PolarHBondContact O-N 3.27Å; A674-R676 PolarHBondContact O-N 3.41Å; R676-R680 WeakPolarHBondContact O-CG 3.24Å; R676-R680 PolarHBondContact O-N 2.92Å; R676-R680 PolarHBondContact O-NH1 2.69Å |
| 677 | F | 98.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | 176.2 | 170.8 | -111.7 | 0 | 0 | 0 | 112.1 | L652 G673 A674 N675 K679 R680 I681 I737 M738 M741 L769 | L652-F677 HydrophobicContact CD2-CD1 3.47Å; L652-F677 VanDerWaalsContact CD2-CD1 3.47Å; L652-F677 HydrophobicContact CD2-CE1 3.97Å; G673-F677 PolarHBondContact O-N 2.88Å; G673-F677 VanDerWaalsContact O-N 3.15Å; A674-F677 WeakPolarHBondContact O-CB 3.49Å; A674-F677 PolarHBondContact O-N 3.08Å; A674-F677 VanDerWaalsContact O-N 3.11Å; N675-F677 VanDerWaalsContact C-N 3.25Å; N675-F677 PolarHBondContact O-N 3.27Å; F677-K679 VanDerWaalsContact C-N 3.31Å; F677-K679 PolarHBondContact O-N 2.95Å; F677-R680 WeakPolarHBondContact O-CB 3.36Å; F677-R680 PolarHBondContact O-N 3.25Å; F677-I681 HydrophobicContact CD1-CD1 3.79Å; F677-I681 HydrophobicContact CD2-CD1 4.22Å; F677-I681 HydrophobicContact CD2-CG1 4.48Å; F677-I681 HydrophobicContact CE1-CD1 3.36Å; F677-I681 HydrophobicContact CE1-CG1 4.48Å; F677-I681 HydrophobicContact CE2-CD1 3.78Å; F677-I681 HydrophobicContact CE2-CG1 4.07Å; F677-I681 HydrophobicContact CG-CD1 4.26Å; F677-I681 HydrophobicContact CZ-CD1 3.38Å; F677-I681 HydrophobicContact CZ-CG1 4.13Å; F677-I681 PolarHBondContact O-N 3.45Å; F677-I681 VanDerWaalsContact O-N 3.11Å; F677-I737 HydrophobicContact CZ-CG2 4.17Å; F677-M738 HydrophobicContact CB-CE 4.02Å; F677-M738 HydrophobicContact CD1-CE 3.77Å; F677-M738 HydrophobicContact CD1-CG 4.4Å; F677-M738 HydrophobicContact CD2-CE 4.27Å; F677-M738 HydrophobicContact CD2-CG 3.73Å; F677-M738 HydrophobicContact CE1-CE 4.17Å; F677-M738 HydrophobicContact CE1-CG 4.14Å; F677-M738 HydrophobicContact CE2-CB 4.13Å; F677-M738 HydrophobicContact CE2-CG 3.48Å; F677-M738 VanDerWaalsContact CE2-CG 3.48Å; F677-M738 HydrophobicContact CG-CE 3.75Å; F677-M738 HydrophobicContact CG-CG 4.16Å; F677-M738 HydrophobicContact CZ-CG 3.65Å; F677-M741 HydrophobicContact CE2-CB 4.04Å; F677-M741 HydrophobicContact CE2-CG 3.92Å; F677-M741 HydrophobicContact CZ-CG 4.35Å; F677-L769 HydrophobicContact CE1-CD1 4.25Å; F677-L769 HydrophobicContact CE1-CD2 4.08Å; F677-L769 HydrophobicContact CZ-CD1 4.28Å |
| 678 | L | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.5 | -65 | -178 | 0 | 0 | 0 | 112.2 | Y13 D648 L652 A674 N675 R680 I681 W682 T773 I776 | Y13-L678 HydrophobicContact CD1-CB 4.34Å; Y13-L678 HydrophobicContact CE1-CB 3.97Å; Y13-L678 HydrophobicContact CE1-CD1 4.29Å; D648-L678 HydrophobicContact CB-CD1 3.85Å; L652-L678 HydrophobicContact CD2-CD2 4Å; L652-L678 HydrophobicContact CD2-CG 4.16Å; A674-L678 PolarHBondContact O-N 3.31Å; A674-L678 VanDerWaalsContact O-N 3.09Å; N675-L678 PolarHBondContact O-N 2.81Å; L678-R680 VanDerWaalsContact C-N 3.29Å; L678-R680 PolarHBondContact O-N 3.37Å; L678-I681 HydrophobicContact CD2-CD1 4.22Å; L678-I681 PolarHBondContact O-N 3.04Å; L678-W682 WeakPolarHBondContact O-CB 3.46Å; L678-W682 PolarHBondContact O-N 3.43Å; L678-T773 HydrophobicContact CD1-CG2 4.27Å; L678-T773 HydrophobicContact CD2-CG2 4.01Å; L678-I776 HydrophobicContact CB-CD1 4.08Å; L678-I776 HydrophobicContact CD2-CD1 4.37Å; L678-I776 HydrophobicContact CD2-CG2 4.34Å |
| 679 | K | 98.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 172.9 | -74.7 | 172.8 | 173.1 | 161.9 | 0 | 113.1 | Y13 N675 F677 K683 | Y13-K679 HydrophobicContact CD1-CG 4.15Å; N675-K679 PolarHBondContact O-N 3.5Å; N675-K679 WeakPolarHBondContact OD1-CE 3.29Å; N675-K679 PolarHBondContact OD1-NZ 3.2Å; F677-K679 VanDerWaalsContact C-N 3.31Å; F677-K679 PolarHBondContact O-N 2.95Å; K679-K683 VanDerWaalsContact O-CB 3.3Å; K679-K683 WeakPolarHBondContact O-CB 3.46Å; K679-K683 PolarHBondContact O-N 3.22Å |
| 680 | R | 98.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 42.2 Ų | 42.2 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 176.7 | -72.5 | -168.8 | -55.3 | -85.5 | 8.5 | 112.2 | R676 F677 L678 L684 | R676-R680 WeakPolarHBondContact O-CG 3.24Å; R676-R680 PolarHBondContact O-N 2.92Å; R676-R680 PolarHBondContact O-NH1 2.69Å; F677-R680 WeakPolarHBondContact O-CB 3.36Å; F677-R680 PolarHBondContact O-N 3.25Å; L678-R680 VanDerWaalsContact C-N 3.29Å; L678-R680 PolarHBondContact O-N 3.37Å; R680-L684 PolarHBondContact O-N 3.09Å |
| 681 | I | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -50 | 175.7 | -63.6 | 156.7 | 0 | 0 | 0 | 110.2 | F677 L678 K683 L684 V685 M741 L769 L780 | F677-I681 HydrophobicContact CD1-CD1 3.79Å; F677-I681 HydrophobicContact CD2-CD1 4.22Å; F677-I681 HydrophobicContact CD2-CG1 4.48Å; F677-I681 HydrophobicContact CE1-CD1 3.36Å; F677-I681 HydrophobicContact CE1-CG1 4.48Å; F677-I681 HydrophobicContact CE2-CD1 3.78Å; F677-I681 HydrophobicContact CE2-CG1 4.07Å; F677-I681 HydrophobicContact CG-CD1 4.26Å; F677-I681 HydrophobicContact CZ-CD1 3.38Å; F677-I681 HydrophobicContact CZ-CG1 4.13Å; F677-I681 PolarHBondContact O-N 3.45Å; F677-I681 VanDerWaalsContact O-N 3.11Å; L678-I681 HydrophobicContact CD2-CD1 4.22Å; L678-I681 PolarHBondContact O-N 3.04Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 2.92Å; I681-L684 PolarHBondContact O-N 3.49Å; I681-V685 HydrophobicContact CG2-CG2 4.47Å; I681-V685 WeakPolarHBondContact O-CG2 3.07Å; I681-V685 PolarHBondContact O-N 3.38Å; I681-M741 HydrophobicContact CB-CE 4.23Å; I681-M741 HydrophobicContact CG1-CE 3.69Å; I681-M741 HydrophobicContact CG1-CG 4.13Å; I681-M741 HydrophobicContact CG1-SD 4.01Å; I681-L769 HydrophobicContact CD1-CD1 3.34Å; I681-L769 HydrophobicContact CG1-CD1 4.38Å; I681-L780 HydrophobicContact CG2-CD1 3.67Å |
| 682 | W | 98.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.5 | -49.5 | 176.5 | -175.9 | -85 | 0 | 0 | 0 | 111.6 | M9 Q10 E11 Y13 I18 L678 L684 V685 Y686 I776 T779 L780 | M9-W682 HydrophobicContact CE-CD2 3.43Å; M9-W682 VanDerWaalsContact CE-CD2 3.43Å; M9-W682 HydrophobicContact CE-CE3 3.83Å; M9-W682 HydrophobicContact CE-CG 3.87Å; M9-W682 HydrophobicContact CE-CH2 3.98Å; M9-W682 HydrophobicContact CE-CZ2 3.61Å; M9-W682 HydrophobicContact CE-CZ3 4.08Å; M9-W682 HydrophobicContact CG-CH2 4.36Å; M9-W682 HydrophobicContact CG-CZ2 3.87Å; Q10-W682 WeakPolarHBondContact O-CZ2 3.41Å; Q10-W682 PolarHBondContact O-NE1 2.88Å; E11-W682 PolarHBondContact O-NE1 2.99Å; Y13-W682 HydrophobicContact CD2-CD2 4.07Å; Y13-W682 AromaticContact CD2-CE3 3.67Å; Y13-W682 HydrophobicContact CD2-CE3 3.67Å; Y13-W682 HydrophobicContact CD2-CZ3 4.05Å; Y13-W682 HydrophobicContact CE2-CE3 4.48Å; Y13-W682 HydrophobicContact CG-CB 4.5Å; Y13-W682 HydrophobicContact CG-CD2 4.29Å; Y13-W682 HydrophobicContact CG-CE3 4.29Å; Y13-W682 HydrophobicContact CG-CG 4.41Å; I18-W682 HydrophobicContact CD1-CH2 3.45Å; I18-W682 VanDerWaalsContact CD1-CH2 3.45Å; I18-W682 HydrophobicContact CD1-CZ2 4.44Å; I18-W682 HydrophobicContact CD1-CZ3 3.49Å; I18-W682 VanDerWaalsContact CD1-CZ3 3.49Å; L678-W682 WeakPolarHBondContact O-CB 3.46Å; L678-W682 PolarHBondContact O-N 3.43Å; W682-L684 PolarHBondContact O-N 3.02Å; W682-V685 PolarHBondContact O-N 3.33Å; W682-Y686 WeakPolarHBondContact O-CB 3.45Å; W682-Y686 PolarHBondContact O-N 3.19Å; W682-I776 HydrophobicContact CE3-CD1 4.09Å; W682-I776 HydrophobicContact CE3-CG1 3.83Å; W682-I776 HydrophobicContact CZ3-CG1 4.22Å; W682-T779 HydrophobicContact CH2-CG2 4.01Å; W682-T779 HydrophobicContact CZ3-CG2 4.11Å; W682-L780 HydrophobicContact CD2-CD2 4.34Å; W682-L780 HydrophobicContact CE3-CD2 3.73Å; W682-L780 HydrophobicContact CE3-CG 4.4Å; W682-L780 HydrophobicContact CZ3-CD2 4.07Å |
| 683 | K | 98.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 48.6 Ų | 48.6 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.6 | -48 | 178.9 | -172.5 | -176.2 | -174.5 | -128.4 | 0 | 112.1 | K679 I681 V685 Y686 E687 | K679-K683 VanDerWaalsContact O-CB 3.3Å; K679-K683 WeakPolarHBondContact O-CB 3.46Å; K679-K683 PolarHBondContact O-N 3.22Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 2.92Å; K683-V685 VanDerWaalsContact C-N 3.35Å; K683-V685 PolarHBondContact O-N 2.61Å; K683-Y686 PolarHBondContact O-N 3.39Å; K683-E687 WeakPolarHBondContact CE-OE1 3.02Å; K683-E687 HydrophobicContact CG-CG 4.38Å; K683-E687 IonicContact NZ-OE1 3.2Å; K683-E687 PolarHBondContact NZ-OE1 3.45Å; K683-E687 WeakPolarHBondContact O-CB 3.26Å; K683-E687 WeakPolarHBondContact O-CG 3.43Å; K683-E687 PolarHBondContact O-N 2.99Å |
| 684 | L | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | -177.7 | -174.2 | 61.8 | 0 | 0 | 0 | 111.8 | R680 I681 W682 H688 M741 L744 M758 L762 | R680-L684 PolarHBondContact O-N 3.09Å; I681-L684 PolarHBondContact O-N 3.49Å; W682-L684 PolarHBondContact O-N 3.02Å; L684-H688 VanDerWaalsContact O-CB 3.31Å; L684-H688 WeakPolarHBondContact O-CB 3.48Å; L684-H688 PolarHBondContact O-N 3.24Å; L684-M741 HydrophobicContact CB-CE 4.21Å; L684-M741 HydrophobicContact CD2-CE 3.61Å; L684-M741 HydrophobicContact CD2-SD 4.17Å; L684-L744 HydrophobicContact CD2-CB 3.91Å; L684-M758 HydrophobicContact CD2-SD 4.31Å; L684-L762 HydrophobicContact CD2-CD2 3.99Å; L684-L762 HydrophobicContact CG-CD2 4.25Å |
| 685 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | M9 I681 W682 K683 E687 H688 T689 L762 L780 L784 | M9-V685 HydrophobicContact CE-CB 4.42Å; M9-V685 HydrophobicContact CE-CG1 4.31Å; M9-V685 HydrophobicContact SD-CG1 4.24Å; I681-V685 HydrophobicContact CG2-CG2 4.47Å; I681-V685 WeakPolarHBondContact O-CG2 3.07Å; I681-V685 PolarHBondContact O-N 3.38Å; W682-V685 PolarHBondContact O-N 3.33Å; K683-V685 VanDerWaalsContact C-N 3.35Å; K683-V685 PolarHBondContact O-N 2.61Å; V685-E687 PolarHBondContact O-N 2.74Å; V685-H688 PolarHBondContact O-N 2.86Å; V685-T689 HydrophobicContact CG1-CG2 3.98Å; V685-T689 WeakPolarHBondContact O-CG2 3.44Å; V685-T689 PolarHBondContact O-N 3.03Å; V685-T689 PolarHBondContact O-OG1 3.48Å; V685-T689 VanDerWaalsContact O-OG1 3.11Å; V685-L762 HydrophobicContact CG2-CD1 4.21Å; V685-L762 HydrophobicContact CG2-CD2 4.06Å; V685-L780 HydrophobicContact CB-CD2 3.83Å; V685-L780 HydrophobicContact CG1-CD2 3.78Å; V685-L780 HydrophobicContact CG2-CD1 4.28Å; V685-L780 HydrophobicContact CG2-CD2 4.08Å; V685-L784 HydrophobicContact CG1-CD1 4.47Å; V685-L784 HydrophobicContact CG1-CD2 4.08Å; V685-L784 HydrophobicContact CG1-CG 3.97Å; V685-L784 HydrophobicContact CG2-CD1 4.47Å |
| 686 | Y | 98.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 28% | 0.275 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 176.1 | 173.9 | -98.3 | 0 | 0 | 0 | 112.2 | M9 E11 W682 K683 H688 T689 A690 | M9-Y686 HydrophobicContact CB-CD2 4.36Å; M9-Y686 HydrophobicContact CG-CD2 4.24Å; M9-Y686 WeakPolarHBondContact O-CE2 3.39Å; M9-Y686 HydrophobicContact SD-CD2 4.39Å; E11-Y686 HydrophobicContact CB-CD1 4.33Å; E11-Y686 HydrophobicContact CB-CE1 3.85Å; E11-Y686 HydrophobicContact CB-CE2 4.13Å; E11-Y686 HydrophobicContact CG-CD1 4.03Å; E11-Y686 HydrophobicContact CG-CE1 3.66Å; W682-Y686 WeakPolarHBondContact O-CB 3.45Å; W682-Y686 PolarHBondContact O-N 3.19Å; K683-Y686 PolarHBondContact O-N 3.39Å; Y686-H688 PolarHBondContact O-N 2.88Å; Y686-T689 PolarHBondContact O-N 3.19Å; Y686-T689 PolarHBondContact O-OG1 2.83Å; Y686-A690 WeakPolarHBondContact O-CB 3Å; Y686-A690 PolarHBondContact O-N 2.61Å |
| 687 | E | 97.5 | Very high | 97.6 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 177.3 | -74.3 | 174.6 | 162.7 | 0 | 0 | 111.9 | K683 V685 | K683-E687 WeakPolarHBondContact CE-OE1 3.02Å; K683-E687 HydrophobicContact CG-CG 4.38Å; K683-E687 IonicContact NZ-OE1 3.2Å; K683-E687 PolarHBondContact NZ-OE1 3.45Å; K683-E687 WeakPolarHBondContact O-CB 3.26Å; K683-E687 WeakPolarHBondContact O-CG 3.43Å; K683-E687 PolarHBondContact O-N 2.99Å; V685-E687 PolarHBondContact O-N 2.74Å |
| 688 | H | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.6 | -46.8 | 178.6 | 176.6 | 68.6 | 0 | 0 | 0 | 113.2 | L684 V685 Y686 A690 K691 R755 M758 Q759 L762 | L684-H688 VanDerWaalsContact O-CB 3.31Å; L684-H688 WeakPolarHBondContact O-CB 3.48Å; L684-H688 PolarHBondContact O-N 3.24Å; V685-H688 PolarHBondContact O-N 2.86Å; Y686-H688 PolarHBondContact O-N 2.88Å; H688-A690 VanDerWaalsContact C-N 3.35Å; H688-K691 PolarHBondContact O-N 3.12Å; H688-R755 PolarHBondContact CE1-O 2.93Å; H688-R755 VanDerWaalsContact CE1-O 3.31Å; H688-R755 PolarHBondContact O-NH2 3.04Å; H688-M758 HydrophobicContact CB-CG 4.48Å; H688-Q759 PolarHBondContact NE2-OE1 3.19Å; H688-L762 HydrophobicContact CB-CD1 3.85Å |
| 689 | T | 97.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 58 Ų | 58 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.7 | -28.1 | -178.6 | 59.9 | 0 | 0 | 0 | 0 | 112 | V685 Y686 K691 G692 E783 L784 | V685-T689 HydrophobicContact CG1-CG2 3.98Å; V685-T689 WeakPolarHBondContact O-CG2 3.44Å; V685-T689 PolarHBondContact O-N 3.03Å; V685-T689 PolarHBondContact O-OG1 3.48Å; V685-T689 VanDerWaalsContact O-OG1 3.11Å; Y686-T689 PolarHBondContact O-N 3.19Å; Y686-T689 PolarHBondContact O-OG1 2.83Å; T689-K691 PolarHBondContact O-N 2.92Å; T689-K691 VanDerWaalsContact O-N 3.12Å; T689-G692 PolarHBondContact O-N 2.83Å; T689-E783 HydrophobicContact CG2-CB 4.47Å; T689-E783 WeakPolarHBondContact CG2-O 3.35Å; T689-L784 HydrophobicContact CG2-CD2 4.12Å |
| 690 | A | 96.8 | Very high | 97 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y686 H688 G692 | Y686-A690 WeakPolarHBondContact O-CB 3Å; Y686-A690 PolarHBondContact O-N 2.61Å; H688-A690 VanDerWaalsContact C-N 3.35Å; A690-G692 VanDerWaalsContact C-N 3.34Å |
| 691 | K | 96.7 | Very high | 96.8 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.9 | 175.1 | -61.5 | -178 | -177.8 | -169.7 | 0 | 113.8 | H688 T689 T749 D750 R755 | H688-K691 PolarHBondContact O-N 3.12Å; T689-K691 PolarHBondContact O-N 2.92Å; T689-K691 VanDerWaalsContact O-N 3.12Å; K691-T749 PolarHBondContact NZ-O 3.26Å; K691-T749 PolarHBondContact NZ-OG1 3.37Å; K691-D750 IonicContact NZ-OD1 2.84Å; K691-D750 PolarHBondContact NZ-OD1 2.97Å; K691-R755 PolarHBondContact O-NH1 3.3Å |
| 692 | G | 95.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | trans | 82.8 | -158.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T689 A690 R755 | T689-G692 PolarHBondContact O-N 2.83Å; A690-G692 VanDerWaalsContact C-N 3.34Å; G692-R755 PolarHBondContact O-NH2 3.35Å | ||
| 693 | D | 95.7 | Very high | 96.4 | Very high | 116 Ų | 116 | 61.9 Ų | 61.9 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | trans | -66.4 | 156.7 | -178.6 | -73 | -46.7 | 0 | 0 | 0 | 113 | R755 K785 | D693-R755 PolarHBondContact O-NH1 2.73Å; D693-K785 VanDerWaalsContact CG-NZ 3.32Å; D693-K785 IonicContact OD1-NZ 2.75Å; D693-K785 PolarHBondContact OD1-NZ 2.88Å; D693-K785 IonicContact OD2-NZ 3.75Å; D693-K785 PolarHBondContact OD2-NZ 2.68Å | ||
| 694 | V | 97.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | trans | -111.3 | 150.8 | 178 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | R755 Q759 | V694-R755 HydrophobicContact CG1-CB 3.96Å; V694-Q759 HydrophobicContact CG1-CB 4.27Å; V694-Q759 HydrophobicContact CG2-CB 3.87Å; V694-Q759 HydrophobicContact CG2-CG 3.79Å | ||
| 695 | A | 96.2 | Very high | 95.7 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 34% | 0.339 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 159.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E752 A756 | A695-E752 HydrophobicContact CB-CB 4.48Å; A695-A756 VanDerWaalsContact O-CB 3.26Å; A695-A756 WeakPolarHBondContact O-CB 3.21Å |
| 696 | A | 95.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 68.8 Ų | 68.8 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -67 | 135.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N698 | A696-N698 PolarHBondContact O-N 3.28Š|
| 697 | L | 97.5 | Very high | 95.4 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 118.4 | -178.9 | -176 | 65.1 | 0 | 0 | 0 | 110.9 | V699 L702 A756 L757 E760 | L697-V699 HydrophobicContact CD2-CG1 4.21Å; L697-V699 HydrophobicContact CG-CG1 4.29Å; L697-V699 PolarHBondContact O-N 3.46Å; L697-L702 HydrophobicContact CD1-CD2 3.93Å; L697-A756 HydrophobicContact CB-CB 3.95Å; L697-A756 HydrophobicContact CD1-CB 3.84Å; L697-L757 HydrophobicContact CD1-CB 4.06Å; L697-L757 HydrophobicContact CD2-CD1 4.38Å; L697-E760 HydrophobicContact CD2-CB 4.4Å; L697-E760 VanDerWaalsContact CD2-OE2 3.23Å; L697-E760 WeakPolarHBondContact CD2-OE2 3.47Å |
| 698 | N | 97.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 66.3 Ų | 66.3 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | trans | -88.8 | 101.8 | 169 | -176.1 | -6.5 | 0 | 0 | 0 | 110.5 | A696 D700 A701 Q753 | A696-N698 PolarHBondContact O-N 3.28Å; N698-D700 VanDerWaalsContact C-N 3.34Å; N698-D700 PolarHBondContact O-N 2.91Å; N698-D700 PolarHBondContact OD1-N 3.16Å; N698-A701 HydrophobicContact CB-CB 4.4Å; N698-A701 PolarHBondContact O-N 3.31Å; N698-Q753 PolarHBondContact O-NE2 3.35Å | ||
| 699 | V | 95.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -69.5 | -26.9 | -174.4 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | L697 A701 L702 | L697-V699 HydrophobicContact CD2-CG1 4.21Å; L697-V699 HydrophobicContact CG-CG1 4.29Å; L697-V699 PolarHBondContact O-N 3.46Å; V699-A701 VanDerWaalsContact C-N 3.32Å; V699-L702 WeakPolarHBondContact O-CG 3.24Å |
| 700 | D | 91.8 | Very high | 95.1 | Very high | 150 Ų | 150 | 67 Ų | 67 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -81.5 | -14.8 | -177 | -61.3 | -51.2 | 0 | 0 | 0 | 112.6 | N698 | N698-D700 VanDerWaalsContact C-N 3.34Å; N698-D700 PolarHBondContact O-N 2.91Å; N698-D700 PolarHBondContact OD1-N 3.16Å |
| 701 | A | 93 | Very high | 95.1 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 51% | 0.512 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -109.9 | 21.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N698 V699 | N698-A701 HydrophobicContact CB-CB 4.4Å; N698-A701 PolarHBondContact O-N 3.31Å; V699-A701 VanDerWaalsContact C-N 3.32Å |
| 702 | L | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | trans | -76.9 | 141.2 | -179.9 | -62.5 | 176.9 | 0 | 0 | 0 | 111.9 | L697 V699 Q706 K707 R710 | L697-L702 HydrophobicContact CD1-CD2 3.93Å; V699-L702 WeakPolarHBondContact O-CG 3.24Å; L702-Q706 HydrophobicContact CB-CB 4.01Å; L702-Q706 HydrophobicContact CD2-CB 4.08Å; L702-K707 HydrophobicContact CB-CG 3.63Å; L702-K707 HydrophobicContact CD1-CG 4.35Å; L702-K707 WeakPolarHBondContact O-CE 3.49Å; L702-R710 HydrophobicContact CD1-CB 4.49Å | ||
| 703 | T | 93.2 | Very high | 95.3 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | trans | -66.6 | 164 | 167.2 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | D705 Q706 K707 | T703-D705 VanDerWaalsContact C-N 3.29Å; T703-D705 PolarHBondContact O-N 3.09Å; T703-Q706 PolarHBondContact O-N 3.48Å; T703-Q706 VanDerWaalsContact O-N 3.16Å; T703-Q706 WeakPolarHBondContact OG1-CB 3.41Å; T703-Q706 VanDerWaalsContact OG1-CG 3.27Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.44Å; T703-Q706 PolarHBondContact OG1-N 3.26Å; T703-Q706 PolarHBondContact OG1-OE1 3.25Å; T703-K707 WeakPolarHBondContact O-CG 3.48Å; T703-K707 PolarHBondContact O-N 2.88Å | ||
| 704 | E | 89.9 | Confident | 95.5 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 178.5 | -66.2 | -56.6 | 120.8 | 0 | 0 | 112.6 | K707 A708 | E704-K707 PolarHBondContact O-N 3.19Å; E704-K707 IonicContact OE1-NZ 2.84Å; E704-K707 PolarHBondContact OE1-NZ 3.34Å; E704-A708 WeakPolarHBondContact O-CB 3.49Å; E704-A708 PolarHBondContact O-N 3Å |
| 705 | D | 92.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 56.9 Ų | 56.9 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 174.9 | -69.1 | -24.3 | 0 | 0 | 0 | 112 | T703 A708 L709 | T703-D705 VanDerWaalsContact C-N 3.29Å; T703-D705 PolarHBondContact O-N 3.09Å; D705-A708 PolarHBondContact O-N 2.88Å; D705-L709 PolarHBondContact O-N 2.94Å |
| 706 | Q | 95.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 175.5 | -74.3 | 168 | -13.6 | 0 | 0 | 111.6 | L702 T703 A708 L709 R710 D754 L757 | L702-Q706 HydrophobicContact CB-CB 4.01Å; L702-Q706 HydrophobicContact CD2-CB 4.08Å; T703-Q706 PolarHBondContact O-N 3.48Å; T703-Q706 VanDerWaalsContact O-N 3.16Å; T703-Q706 WeakPolarHBondContact OG1-CB 3.41Å; T703-Q706 VanDerWaalsContact OG1-CG 3.27Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.44Å; T703-Q706 PolarHBondContact OG1-N 3.26Å; T703-Q706 PolarHBondContact OG1-OE1 3.25Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; Q706-L709 PolarHBondContact O-N 2.83Å; Q706-R710 WeakPolarHBondContact O-CB 3.21Å; Q706-R710 PolarHBondContact O-N 3.3Å; Q706-D754 PolarHBondContact NE2-OD1 3.33Å; Q706-L757 HydrophobicContact CB-CD2 3.99Å; Q706-L757 HydrophobicContact CG-CD2 4.22Å; Q706-L757 WeakPolarHBondContact O-CD2 3.47Å |
| 707 | K | 95 | Very high | 95.8 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.5 | -73 | -179.5 | -170.1 | 163.4 | 0 | 111.1 | L702 T703 E704 R710 R711 | L702-K707 HydrophobicContact CB-CG 3.63Å; L702-K707 HydrophobicContact CD1-CG 4.35Å; L702-K707 WeakPolarHBondContact O-CE 3.49Å; T703-K707 WeakPolarHBondContact O-CG 3.48Å; T703-K707 PolarHBondContact O-N 2.88Å; E704-K707 PolarHBondContact O-N 3.19Å; E704-K707 IonicContact OE1-NZ 2.84Å; E704-K707 PolarHBondContact OE1-NZ 3.34Å; K707-R710 PolarHBondContact O-N 2.74Å; K707-R711 VanDerWaalsContact O-CB 3.26Å; K707-R711 WeakPolarHBondContact O-CB 3.41Å; K707-R711 PolarHBondContact O-N 3.3Å |
| 708 | A | 93.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 51.3 Ų | 51.3 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E704 D705 Q706 R711 D712 | E704-A708 WeakPolarHBondContact O-CB 3.49Å; E704-A708 PolarHBondContact O-N 3Å; D705-A708 PolarHBondContact O-N 2.88Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; A708-R711 WeakPolarHBondContact O-CB 3.35Å; A708-R711 PolarHBondContact O-N 3.19Å; A708-D712 PolarHBondContact O-N 3.4Å |
| 709 | L | 96.8 | Very high | 95.9 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.3 | -176.4 | 61.5 | 0 | 0 | 0 | 112 | D705 Q706 R711 D712 V713 K743 L744 A747 L757 | D705-L709 PolarHBondContact O-N 2.94Å; Q706-L709 PolarHBondContact O-N 2.83Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 3.2Å; L709-D712 WeakPolarHBondContact O-CB 3.42Å; L709-D712 PolarHBondContact O-N 3.32Å; L709-V713 WeakPolarHBondContact O-CG2 3.45Å; L709-V713 PolarHBondContact O-N 3.49Å; L709-K743 HydrophobicContact CD1-CB 4.1Å; L709-L744 HydrophobicContact CD1-CD2 3.98Å; L709-L744 HydrophobicContact CD2-CD2 4.14Å; L709-L744 HydrophobicContact CG-CD2 4.27Å; L709-A747 HydrophobicContact CD2-CB 3.65Å; L709-L757 HydrophobicContact CB-CD2 4.22Å; L709-L757 HydrophobicContact CD2-CD2 4.01Å; L709-L757 HydrophobicContact CG-CD2 4.32Å |
| 710 | R | 97.8 | Very high | 96.1 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.7 | -165.5 | 171.1 | -176.2 | -94.9 | -8.2 | 111.4 | L702 Q706 K707 D712 V713 H714 L757 E760 D799 | L702-R710 HydrophobicContact CD1-CB 4.49Å; Q706-R710 WeakPolarHBondContact O-CB 3.21Å; Q706-R710 PolarHBondContact O-N 3.3Å; K707-R710 PolarHBondContact O-N 2.74Å; R710-D712 VanDerWaalsContact C-N 3.32Å; R710-D712 PolarHBondContact O-N 3.38Å; R710-V713 WeakPolarHBondContact O-CB 3.36Å; R710-V713 PolarHBondContact O-N 2.63Å; R710-H714 PolarHBondContact NH2-NE2 3.31Å; R710-H714 PolarHBondContact O-CD2 3.29Å; R710-H714 PolarHBondContact O-N 2.96Å; R710-L757 HydrophobicContact CB-CD1 3.67Å; R710-L757 HydrophobicContact CG-CD1 3.81Å; R710-E760 WeakPolarHBondContact CD-OE2 3.47Å; R710-E760 IonicContact CZ-OE1 3.84Å; R710-E760 IonicContact CZ-OE2 3.19Å; R710-E760 IonicContact NE-OE1 3.44Å; R710-E760 PolarHBondContact NE-OE1 3.38Å; R710-E760 IonicContact NE-OE2 3.77Å; R710-E760 PolarHBondContact NE-OE2 3.32Å; R710-E760 IonicContact NH2-OE1 3.1Å; R710-E760 PolarHBondContact NH2-OE1 2.99Å; R710-E760 IonicContact NH2-OE2 3.62Å; R710-D799 IonicContact CZ-OD2 3.21Å; R710-D799 IonicContact NH1-OD2 3.72Å; R710-D799 PolarHBondContact NH1-OD2 3.45Å; R710-D799 VanDerWaalsContact NH1-OD2 3.1Å; R710-D799 IonicContact NH2-OD2 2.85Å |
| 711 | R | 96.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 172.8 | -174.7 | -176.5 | -54.8 | 116.3 | 1.1 | 111.4 | K707 A708 L709 V713 H714 K715 A802 V804 D806 | K707-R711 VanDerWaalsContact O-CB 3.26Å; K707-R711 WeakPolarHBondContact O-CB 3.41Å; K707-R711 PolarHBondContact O-N 3.3Å; A708-R711 WeakPolarHBondContact O-CB 3.35Å; A708-R711 PolarHBondContact O-N 3.19Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 3.2Å; R711-V713 VanDerWaalsContact C-N 3.34Å; R711-V713 PolarHBondContact O-N 2.95Å; R711-H714 PolarHBondContact O-N 3.13Å; R711-K715 HydrophobicContact CG-CD 4.2Å; R711-K715 HydrophobicContact CG-CG 4.5Å; R711-K715 WeakPolarHBondContact O-CB 3.45Å; R711-K715 WeakPolarHBondContact O-CG 3.46Å; R711-K715 PolarHBondContact O-N 3.45Å; R711-A802 VanDerWaalsContact CA-O 3.27Å; R711-A802 WeakPolarHBondContact CA-O 3.47Å; R711-A802 WeakPolarHBondContact CB-O 3.35Å; R711-A802 VanDerWaalsContact CG-O 3.27Å; R711-A802 WeakPolarHBondContact CG-O 3.38Å; R711-V804 PolarHBondContact NE-O 2.99Å; R711-V804 PolarHBondContact NH2-O 2.91Å; R711-D806 IonicContact NH2-OD2 3.22Å; R711-D806 PolarHBondContact NH2-OD2 2.97Å |
| 712 | D | 97.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 176.9 | -77.8 | -25.9 | 0 | 0 | 0 | 112.6 | A708 L709 R710 T716 K743 | A708-D712 PolarHBondContact O-N 3.4Å; L709-D712 WeakPolarHBondContact O-CB 3.42Å; L709-D712 PolarHBondContact O-N 3.32Å; R710-D712 VanDerWaalsContact C-N 3.32Å; R710-D712 PolarHBondContact O-N 3.38Å; D712-T716 WeakPolarHBondContact O-CB 3.42Å; D712-T716 PolarHBondContact O-N 3.36Å; D712-T716 PolarHBondContact O-OG1 2.87Å; D712-K743 HydrophobicContact CB-CD 4.31Å; D712-K743 IonicContact OD1-NZ 3.68Å; D712-K743 PolarHBondContact OD1-NZ 2.79Å; D712-K743 WeakPolarHBondContact OD2-CD 3.32Å; D712-K743 WeakPolarHBondContact OD2-CE 3.3Å; D712-K743 IonicContact OD2-NZ 3.77Å; D712-K743 PolarHBondContact OD2-NZ 3.25Å |
| 713 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -52.7 | 172.6 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | L709 R710 R711 T716 I717 L740 A761 A764 | L709-V713 WeakPolarHBondContact O-CG2 3.45Å; L709-V713 PolarHBondContact O-N 3.49Å; R710-V713 WeakPolarHBondContact O-CB 3.36Å; R710-V713 PolarHBondContact O-N 2.63Å; R711-V713 VanDerWaalsContact C-N 3.34Å; R711-V713 PolarHBondContact O-N 2.95Å; V713-T716 WeakPolarHBondContact O-CB 3.39Å; V713-T716 PolarHBondContact O-N 3.19Å; V713-I717 HydrophobicContact CG1-CD1 4.04Å; V713-I717 WeakPolarHBondContact O-CG1 3.45Å; V713-I717 PolarHBondContact O-N 3.43Å; V713-L740 HydrophobicContact CG2-CD1 3.81Å; V713-L740 HydrophobicContact CG2-CD2 4.27Å; V713-A761 HydrophobicContact CG2-CB 3.66Å; V713-A764 HydrophobicContact CG1-CB 4.14Å |
| 714 | H | 98.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.2 | -34.4 | -176.8 | -69.2 | -77.7 | 0 | 0 | 0 | 113.6 | R710 R711 T716 I717 A718 E760 A798 D799 A802 M803 | R710-H714 PolarHBondContact NH2-NE2 3.31Å; R710-H714 PolarHBondContact O-CD2 3.29Å; R710-H714 PolarHBondContact O-N 2.96Å; R711-H714 PolarHBondContact O-N 3.13Å; H714-T716 VanDerWaalsContact C-N 3.28Å; H714-T716 PolarHBondContact O-N 2.97Å; H714-I717 WeakPolarHBondContact O-CB 3.28Å; H714-I717 PolarHBondContact O-N 3.08Å; H714-A718 PolarHBondContact O-N 3.36Å; H714-E760 IonicContact NE2-OE1 2.77Å; H714-A798 HydrophobicContact CB-CB 4.34Å; H714-A798 WeakPolarHBondContact O-CB 3.4Å; H714-D799 PolarHBondContact ND1-N 2.91Å; H714-A802 HydrophobicContact CB-CB 4.2Å; H714-A802 WeakPolarHBondContact CD2-CB 3.42Å; H714-M803 HydrophobicContact CB-CG 3.75Å; H714-M803 HydrophobicContact CB-SD 4.37Å |
| 715 | K | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 32% | 0.317 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -38 | 169.3 | -77.9 | -179 | 171.1 | -178.6 | 0 | 112.1 | R711 A718 K719 M803 E805 | R711-K715 HydrophobicContact CG-CD 4.2Å; R711-K715 HydrophobicContact CG-CG 4.5Å; R711-K715 WeakPolarHBondContact O-CB 3.45Å; R711-K715 WeakPolarHBondContact O-CG 3.46Å; R711-K715 PolarHBondContact O-N 3.45Å; K715-A718 PolarHBondContact O-N 2.86Å; K715-K719 WeakPolarHBondContact O-CB 3.36Å; K715-K719 PolarHBondContact O-N 3.29Å; K715-M803 HydrophobicContact CG-CG 4.18Å; K715-M803 HydrophobicContact CG-SD 4.17Å; K715-E805 VanDerWaalsContact NZ-CD 3.33Å; K715-E805 IonicContact NZ-OE1 3.86Å; K715-E805 PolarHBondContact NZ-OE1 2.95Å |
| 716 | T | 98.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | D712 V713 H714 A718 K719 V720 A736 L740 M768 | D712-T716 WeakPolarHBondContact O-CB 3.42Å; D712-T716 PolarHBondContact O-N 3.36Å; D712-T716 PolarHBondContact O-OG1 2.87Å; V713-T716 WeakPolarHBondContact O-CB 3.39Å; V713-T716 PolarHBondContact O-N 3.19Å; H714-T716 VanDerWaalsContact C-N 3.28Å; H714-T716 PolarHBondContact O-N 2.97Å; T716-A718 PolarHBondContact O-N 2.94Å; T716-K719 PolarHBondContact O-N 3.46Å; T716-V720 HydrophobicContact CG2-CG2 4.03Å; T716-V720 WeakPolarHBondContact O-CB 3.33Å; T716-V720 VanDerWaalsContact O-CG2 3.25Å; T716-V720 WeakPolarHBondContact O-CG2 3.36Å; T716-V720 PolarHBondContact O-N 3.37Å; T716-A736 HydrophobicContact CG2-CB 4.19Å; T716-L740 HydrophobicContact CG2-CB 4.09Å; T716-L740 HydrophobicContact CG2-CD2 3.9Å; T716-M768 HydrophobicContact CG2-CE 4Å; T716-M768 HydrophobicContact CG2-SD 4.25Å |
| 717 | I | 98.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 174.7 | -67.6 | 163.4 | 0 | 0 | 0 | 110.8 | V713 H714 K719 V720 T721 A764 M768 P796 A798 | V713-I717 HydrophobicContact CG1-CD1 4.04Å; V713-I717 WeakPolarHBondContact O-CG1 3.45Å; V713-I717 PolarHBondContact O-N 3.43Å; H714-I717 WeakPolarHBondContact O-CB 3.28Å; H714-I717 PolarHBondContact O-N 3.08Å; I717-K719 PolarHBondContact O-N 2.99Å; I717-V720 PolarHBondContact O-N 2.91Å; I717-T721 WeakPolarHBondContact O-CB 3.41Å; I717-T721 PolarHBondContact O-N 2.83Å; I717-T721 PolarHBondContact O-OG1 2.97Å; I717-A764 HydrophobicContact CD1-CB 3.94Å; I717-A764 HydrophobicContact CG1-CB 4.29Å; I717-M768 HydrophobicContact CB-SD 4.37Å; I717-M768 HydrophobicContact CG1-CE 4.19Å; I717-M768 HydrophobicContact CG1-SD 3.89Å; I717-P796 HydrophobicContact CD1-CB 3.97Å; I717-P796 HydrophobicContact CG1-CB 4.1Å; I717-P796 HydrophobicContact CG1-CG 4.36Å; I717-P796 HydrophobicContact CG2-CB 4.05Å; I717-P796 HydrophobicContact CG2-CG 4.27Å; I717-P796 WeakPolarHBondContact CG2-O 3.41Å; I717-A798 HydrophobicContact CB-CB 4.4Å; I717-A798 HydrophobicContact CG2-CB 4.19Å |
| 718 | A | 98.7 | Very high | 97.7 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | H714 K715 T716 T721 D722 A798 M803 | H714-A718 PolarHBondContact O-N 3.36Å; K715-A718 PolarHBondContact O-N 2.86Å; T716-A718 PolarHBondContact O-N 2.94Å; A718-T721 PolarHBondContact O-N 3.33Å; A718-D722 PolarHBondContact O-N 2.86Å; A718-A798 HydrophobicContact CB-CB 4.04Å; A718-M803 HydrophobicContact CB-SD 4.01Å |
| 719 | K | 98.7 | Very high | 97.9 | Very high | 82 Ų | 82 | 38 Ų | 38 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 178.8 | 175.6 | 167.7 | 174.2 | 46.2 | 0 | 112.8 | K715 T716 I717 T721 D722 D723 A736 | K715-K719 WeakPolarHBondContact O-CB 3.36Å; K715-K719 PolarHBondContact O-N 3.29Å; T716-K719 PolarHBondContact O-N 3.46Å; I717-K719 PolarHBondContact O-N 2.99Å; K719-T721 VanDerWaalsContact C-N 3.29Å; K719-T721 PolarHBondContact O-N 2.84Å; K719-D722 PolarHBondContact O-N 2.85Å; K719-D723 WeakPolarHBondContact CE-OD2 3.19Å; K719-D723 WeakPolarHBondContact CG-OD2 3.37Å; K719-D723 IonicContact NZ-OD1 2.79Å; K719-D723 PolarHBondContact NZ-OD1 2.71Å; K719-D723 IonicContact NZ-OD2 2.69Å; K719-D723 PolarHBondContact NZ-OD2 2.98Å; K719-D723 VanDerWaalsContact O-CB 3.31Å; K719-D723 WeakPolarHBondContact O-CB 3.47Å; K719-D723 VanDerWaalsContact O-CG 3.26Å; K719-D723 PolarHBondContact O-N 2.96Å; K719-A736 HydrophobicContact CD-CB 3.78Å; K719-A736 HydrophobicContact CG-CB 4.2Å |
| 720 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | -179.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | T716 I717 D723 I724 A733 A736 I737 M768 W795 | T716-V720 HydrophobicContact CG2-CG2 4.03Å; T716-V720 WeakPolarHBondContact O-CB 3.33Å; T716-V720 VanDerWaalsContact O-CG2 3.25Å; T716-V720 WeakPolarHBondContact O-CG2 3.36Å; T716-V720 PolarHBondContact O-N 3.37Å; I717-V720 PolarHBondContact O-N 2.91Å; V720-D723 PolarHBondContact O-N 3.02Å; V720-I724 HydrophobicContact CG1-CD1 3.75Å; V720-I724 HydrophobicContact CG1-CG1 4.37Å; V720-I724 WeakPolarHBondContact O-CG1 3.35Å; V720-I724 PolarHBondContact O-N 3.15Å; V720-A733 HydrophobicContact CG1-CB 4.21Å; V720-A733 HydrophobicContact CG2-CB 4.41Å; V720-A736 HydrophobicContact CG2-CB 4.2Å; V720-I737 HydrophobicContact CG1-CD1 4.33Å; V720-I737 HydrophobicContact CG2-CD1 4.17Å; V720-I737 HydrophobicContact CG2-CG1 3.71Å; V720-M768 HydrophobicContact CB-CG 4.49Å; V720-M768 HydrophobicContact CB-SD 3.83Å; V720-M768 HydrophobicContact CG1-CB 4.17Å; V720-M768 HydrophobicContact CG1-CG 4.08Å; V720-M768 HydrophobicContact CG1-SD 4.06Å; V720-M768 HydrophobicContact CG2-SD 3.84Å; V720-W795 HydrophobicContact CG1-CH2 4.08Å; V720-W795 HydrophobicContact CG1-CZ2 3.92Å |
| 721 | T | 98.8 | Very high | 98 | Very high | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.6 | I717 A718 K719 G725 W795 | I717-T721 WeakPolarHBondContact O-CB 3.41Å; I717-T721 PolarHBondContact O-N 2.83Å; I717-T721 PolarHBondContact O-OG1 2.97Å; A718-T721 PolarHBondContact O-N 3.33Å; K719-T721 VanDerWaalsContact C-N 3.29Å; K719-T721 PolarHBondContact O-N 2.84Å; T721-G725 PolarHBondContact O-N 3.07Å; T721-W795 PolarHBondContact OG1-NE1 3.24Å |
| 722 | D | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.5 | -173.8 | 60.8 | 0 | 0 | 0 | 112.3 | A718 K719 R726 R727 | A718-D722 PolarHBondContact O-N 2.86Å; K719-D722 PolarHBondContact O-N 2.85Å; D722-R726 PolarHBondContact O-N 2.87Å; D722-R726 IonicContact OD1-CZ 3.88Å; D722-R726 IonicContact OD1-NE 3.56Å; D722-R726 PolarHBondContact OD1-NE 3.2Å; D722-R726 IonicContact OD1-NH2 2.83Å; D722-R726 PolarHBondContact OD1-NH2 2.94Å; D722-R726 IonicContact OD2-CZ 2.63Å; D722-R726 IonicContact OD2-NE 2.82Å; D722-R726 IonicContact OD2-NH2 3.68Å; D722-R726 PolarHBondContact OD2-NH2 3.14Å; D722-R727 PolarHBondContact O-N 2.76Å; D722-R727 WeakPolarHBondContact OD2-CD 3.33Å |
| 723 | D | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | -177.8 | -75.8 | -15.6 | 0 | 0 | 0 | 112.1 | K719 V720 R727 Q728 T729 T732 A733 | K719-D723 WeakPolarHBondContact CE-OD2 3.19Å; K719-D723 WeakPolarHBondContact CG-OD2 3.37Å; K719-D723 IonicContact NZ-OD1 2.79Å; K719-D723 PolarHBondContact NZ-OD1 2.71Å; K719-D723 IonicContact NZ-OD2 2.69Å; K719-D723 PolarHBondContact NZ-OD2 2.98Å; K719-D723 VanDerWaalsContact O-CB 3.31Å; K719-D723 WeakPolarHBondContact O-CB 3.47Å; K719-D723 VanDerWaalsContact O-CG 3.26Å; K719-D723 PolarHBondContact O-N 2.96Å; V720-D723 PolarHBondContact O-N 3.02Å; D723-R727 WeakPolarHBondContact OD1-CD 3.34Å; D723-R727 IonicContact OD1-CZ 3.27Å; D723-R727 IonicContact OD1-NE 3.67Å; D723-R727 IonicContact OD1-NH1 2.7Å; D723-R727 PolarHBondContact OD1-NH1 2.88Å; D723-Q728 CarbonylContact O-C 3.38Å; D723-Q728 VanDerWaalsContact O-CA 3.25Å; D723-Q728 WeakPolarHBondContact O-CA 3.47Å; D723-Q728 PolarHBondContact O-N 3.11Å; D723-T729 PolarHBondContact O-N 3.06Å; D723-T729 PolarHBondContact OD1-OG1 2.76Å; D723-T732 VanDerWaalsContact CG-OG1 3.29Å; D723-T732 PolarHBondContact OD2-OG1 3.22Å; D723-A733 HydrophobicContact CB-CB 3.79Å; D723-A733 PolarHBondContact OD2-N 2.79Å |
| 724 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.1 | -53 | 175.5 | -63 | 174.3 | 0 | 0 | 0 | 110.8 | Y73 V720 F730 A733 F772 W795 | Y73-I724 HydrophobicContact CD1-CG2 3.64Å; Y73-I724 HydrophobicContact CD2-CG2 3.91Å; Y73-I724 HydrophobicContact CE1-CG2 4.08Å; Y73-I724 HydrophobicContact CE2-CG2 4.33Å; Y73-I724 HydrophobicContact CG-CG2 3.54Å; V720-I724 HydrophobicContact CG1-CD1 3.75Å; V720-I724 HydrophobicContact CG1-CG1 4.37Å; V720-I724 WeakPolarHBondContact O-CG1 3.35Å; V720-I724 PolarHBondContact O-N 3.15Å; I724-F730 HydrophobicContact CG1-CD1 4.43Å; I724-F730 HydrophobicContact CG2-CE1 4.37Å; I724-A733 HydrophobicContact CG1-CB 4.09Å; I724-F772 HydrophobicContact CD1-CE2 3.81Å; I724-F772 HydrophobicContact CD1-CZ 3.59Å; I724-F772 HydrophobicContact CG1-CZ 3.91Å; I724-W795 HydrophobicContact CD1-CH2 3.77Å; I724-W795 HydrophobicContact CD1-CZ2 4.24Å |
| 725 | G | 96.9 | Very high | 98.1 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -74.3 | -40.8 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | T721 | T721-G725 PolarHBondContact O-N 3.07Å |
| 726 | R | 96.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 34.1 Ų | 34.1 | 62% | 0.619 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -48.8 | -174.9 | -172.1 | -176.1 | 62 | 82.2 | 2.7 | 113 | D722 | D722-R726 PolarHBondContact O-N 2.87Å; D722-R726 IonicContact OD1-CZ 3.88Å; D722-R726 IonicContact OD1-NE 3.56Å; D722-R726 PolarHBondContact OD1-NE 3.2Å; D722-R726 IonicContact OD1-NH2 2.83Å; D722-R726 PolarHBondContact OD1-NH2 2.94Å; D722-R726 IonicContact OD2-CZ 2.63Å; D722-R726 IonicContact OD2-NE 2.82Å; D722-R726 IonicContact OD2-NH2 3.68Å; D722-R726 PolarHBondContact OD2-NH2 3.14Å |
| 727 | R | 95.6 | Very high | 98.1 | Very high | 112 Ų | 112 | 33.3 Ų | 33.3 | 42% | 0.423 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -87.6 | -22.8 | -170.3 | -57.7 | 177.6 | 66.3 | -149.4 | -1.9 | 113.6 | D722 D723 T729 | D722-R727 PolarHBondContact O-N 2.76Å; D722-R727 WeakPolarHBondContact OD2-CD 3.33Å; D723-R727 WeakPolarHBondContact OD1-CD 3.34Å; D723-R727 IonicContact OD1-CZ 3.27Å; D723-R727 IonicContact OD1-NE 3.67Å; D723-R727 IonicContact OD1-NH1 2.7Å; D723-R727 PolarHBondContact OD1-NH1 2.88Å; R727-T729 HydrophobicContact CB-CG2 4.14Å; R727-T729 WeakPolarHBondContact CB-OG1 3.25Å; R727-T729 PolarHBondContact O-N 3.02Å; R727-T729 VanDerWaalsContact O-N 3.16Å |
| 728 | Q | 96.9 | Very high | 98.1 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | trans | 52.9 | 30.9 | -172.2 | -63.3 | 170.7 | -14.5 | 0 | 0 | 112.9 | Q570 D723 F730 | Q570-Q728 VanDerWaalsContact NE2-CD 3.34Å; D723-Q728 CarbonylContact O-C 3.38Å; D723-Q728 VanDerWaalsContact O-CA 3.25Å; D723-Q728 WeakPolarHBondContact O-CA 3.47Å; D723-Q728 PolarHBondContact O-N 3.11Å; Q728-F730 HydrophobicContact CB-CE1 4.5Å; Q728-F730 HydrophobicContact CB-CE2 4.37Å; Q728-F730 HydrophobicContact CB-CZ 3.97Å; Q728-F730 HydrophobicContact CG-CZ 4.32Å; Q728-F730 PolarHBondContact O-N 3.07Å | ||
| 729 | T | 97.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 38 Ų | 38 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | trans | -96.2 | 66.5 | 177.2 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | D723 R727 N731 T732 A733 | D723-T729 PolarHBondContact O-N 3.06Å; D723-T729 PolarHBondContact OD1-OG1 2.76Å; R727-T729 HydrophobicContact CB-CG2 4.14Å; R727-T729 WeakPolarHBondContact CB-OG1 3.25Å; R727-T729 PolarHBondContact O-N 3.02Å; R727-T729 VanDerWaalsContact O-N 3.16Å; T729-N731 PolarHBondContact O-N 2.86Å; T729-T732 VanDerWaalsContact CB-OG1 3.29Å; T729-T732 WeakPolarHBondContact CB-OG1 3.3Å; T729-T732 PolarHBondContact O-N 3.4Å; T729-T732 PolarHBondContact O-OG1 2.82Å; T729-T732 PolarHBondContact OG1-OG1 3.27Å; T729-A733 PolarHBondContact O-N 3.02Å | ||
| 730 | F | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.2 | -36.4 | -175.8 | -51.7 | -57.9 | 0 | 0 | 0 | 113.7 | I66 V69 I70 M655 A660 I724 Q728 T732 A733 I734 F772 | I66-F730 HydrophobicContact CB-CE2 4.42Å; I66-F730 HydrophobicContact CG1-CD2 4.49Å; I66-F730 HydrophobicContact CG1-CE2 4.1Å; I66-F730 HydrophobicContact CG2-CE2 3.78Å; I66-F730 HydrophobicContact CG2-CZ 4.06Å; V69-F730 HydrophobicContact CG1-CD1 3.82Å; V69-F730 HydrophobicContact CG1-CE1 3.8Å; I70-F730 HydrophobicContact CD1-CZ 4.1Å; I70-F730 HydrophobicContact CG1-CE1 4.28Å; I70-F730 HydrophobicContact CG1-CZ 4.05Å; M655-F730 HydrophobicContact CB-CB 4.13Å; M655-F730 HydrophobicContact SD-CD2 4.12Å; M655-F730 HydrophobicContact SD-CG 4.47Å; A660-F730 HydrophobicContact CB-CD2 4.14Å; A660-F730 HydrophobicContact CB-CE2 3.87Å; I724-F730 HydrophobicContact CG1-CD1 4.43Å; I724-F730 HydrophobicContact CG2-CE1 4.37Å; Q728-F730 HydrophobicContact CB-CE1 4.5Å; Q728-F730 HydrophobicContact CB-CE2 4.37Å; Q728-F730 HydrophobicContact CB-CZ 3.97Å; Q728-F730 HydrophobicContact CG-CZ 4.32Å; Q728-F730 PolarHBondContact O-N 3.07Å; F730-T732 VanDerWaalsContact C-N 3.31Å; F730-T732 PolarHBondContact O-N 3.27Å; F730-A733 WeakPolarHBondContact O-CB 3.38Å; F730-A733 PolarHBondContact O-N 3.1Å; F730-I734 WeakPolarHBondContact O-CD1 3.44Å; F730-I734 WeakPolarHBondContact O-CG1 3.44Å; F730-I734 PolarHBondContact O-N 2.93Å; F730-F772 HydrophobicContact CB-CE1 3.91Å; F730-F772 HydrophobicContact CD1-CE1 4.1Å; F730-F772 HydrophobicContact CG-CE1 4.32Å |
| 731 | N | 97.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.8 | 62.1 | -37.6 | 0 | 0 | 0 | 112.3 | M655 F656 T729 A735 | M655-N731 VanDerWaalsContact O-CA 3.24Å; M655-N731 WeakPolarHBondContact O-CA 3.28Å; M655-N731 WeakPolarHBondContact O-CB 3.42Å; M655-N731 PolarHBondContact O-N 2.92Å; M655-N731 VanDerWaalsContact O-N 3.09Å; F656-N731 VanDerWaalsContact O-CB 3.29Å; F656-N731 WeakPolarHBondContact O-CB 3.3Å; T729-N731 PolarHBondContact O-N 2.86Å; N731-A735 WeakPolarHBondContact O-CB 3.41Å; N731-A735 PolarHBondContact O-N 3.34Å |
| 732 | T | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.9 | -29 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | D723 T729 F730 A736 | D723-T732 VanDerWaalsContact CG-OG1 3.29Å; D723-T732 PolarHBondContact OD2-OG1 3.22Å; T729-T732 VanDerWaalsContact CB-OG1 3.29Å; T729-T732 WeakPolarHBondContact CB-OG1 3.3Å; T729-T732 PolarHBondContact O-N 3.4Å; T729-T732 PolarHBondContact O-OG1 2.82Å; T729-T732 PolarHBondContact OG1-OG1 3.27Å; F730-T732 VanDerWaalsContact C-N 3.31Å; F730-T732 PolarHBondContact O-N 3.27Å; T732-A736 PolarHBondContact O-N 3.09Å |
| 733 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -51 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V720 D723 I724 T729 F730 A735 A736 I737 F772 | V720-A733 HydrophobicContact CG1-CB 4.21Å; V720-A733 HydrophobicContact CG2-CB 4.41Å; D723-A733 HydrophobicContact CB-CB 3.79Å; D723-A733 PolarHBondContact OD2-N 2.79Å; I724-A733 HydrophobicContact CG1-CB 4.09Å; T729-A733 PolarHBondContact O-N 3.02Å; F730-A733 WeakPolarHBondContact O-CB 3.38Å; F730-A733 PolarHBondContact O-N 3.1Å; A733-A735 VanDerWaalsContact C-N 3.32Å; A733-A735 PolarHBondContact O-N 3.3Å; A733-A736 WeakPolarHBondContact O-CB 3.31Å; A733-A736 PolarHBondContact O-N 3.13Å; A733-A736 VanDerWaalsContact O-N 3.16Å; A733-I737 WeakPolarHBondContact O-CG1 3.35Å; A733-I737 PolarHBondContact O-N 2.86Å; A733-I737 VanDerWaalsContact O-N 3.1Å; A733-F772 HydrophobicContact CB-CZ 4.27Å |
| 734 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.5 | -66.6 | 159.9 | 0 | 0 | 0 | 110.9 | L652 M655 F656 F730 A736 I737 M738 F772 | L652-I734 HydrophobicContact CD1-CD1 3.73Å; L652-I734 HydrophobicContact CD1-CG1 3.89Å; L652-I734 HydrophobicContact CD1-CG2 3.86Å; M655-I734 HydrophobicContact CB-CD1 3.58Å; F656-I734 HydrophobicContact CB-CD1 4.06Å; F656-I734 HydrophobicContact CB-CG2 4.19Å; F656-I734 HydrophobicContact CD2-CB 3.98Å; F656-I734 HydrophobicContact CD2-CG2 3.59Å; F656-I734 HydrophobicContact CE2-CG2 4.29Å; F656-I734 HydrophobicContact CG-CG2 4.09Å; F730-I734 WeakPolarHBondContact O-CD1 3.44Å; F730-I734 WeakPolarHBondContact O-CG1 3.44Å; F730-I734 PolarHBondContact O-N 2.93Å; I734-A736 VanDerWaalsContact C-N 3.32Å; I734-A736 PolarHBondContact O-N 2.86Å; I734-I737 PolarHBondContact O-N 2.99Å; I734-M738 HydrophobicContact CG2-CE 3.68Å; I734-M738 HydrophobicContact CG2-CG 4.37Å; I734-M738 HydrophobicContact CG2-SD 4.3Å; I734-M738 WeakPolarHBondContact O-CG 3.44Å; I734-M738 PolarHBondContact O-N 3.19Å; I734-F772 HydrophobicContact CD1-CD1 3.94Å; I734-F772 HydrophobicContact CD1-CE1 4.11Å; I734-F772 HydrophobicContact CD1-CG 4.28Å; I734-F772 HydrophobicContact CG1-CD1 4.23Å; I734-F772 HydrophobicContact CG1-CD2 4.22Å; I734-F772 HydrophobicContact CG1-CE1 4.22Å; I734-F772 HydrophobicContact CG1-CE2 4.19Å; I734-F772 HydrophobicContact CG1-CG 4.23Å; I734-F772 HydrophobicContact CG1-CZ 4.19Å |
| 735 | A | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 35% | 0.347 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F656 N731 A733 M738 E739 | F656-A735 HydrophobicContact CE2-CB 4.25Å; N731-A735 WeakPolarHBondContact O-CB 3.41Å; N731-A735 PolarHBondContact O-N 3.34Å; A733-A735 VanDerWaalsContact C-N 3.32Å; A733-A735 PolarHBondContact O-N 3.3Å; A735-M738 PolarHBondContact O-N 2.95Å; A735-E739 PolarHBondContact O-N 3.49Å |
| 736 | A | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T716 K719 V720 T732 A733 I734 M738 E739 L740 | T716-A736 HydrophobicContact CG2-CB 4.19Å; K719-A736 HydrophobicContact CD-CB 3.78Å; K719-A736 HydrophobicContact CG-CB 4.2Å; V720-A736 HydrophobicContact CG2-CB 4.2Å; T732-A736 PolarHBondContact O-N 3.09Å; A733-A736 WeakPolarHBondContact O-CB 3.31Å; A733-A736 PolarHBondContact O-N 3.13Å; A733-A736 VanDerWaalsContact O-N 3.16Å; I734-A736 VanDerWaalsContact C-N 3.32Å; I734-A736 PolarHBondContact O-N 2.86Å; A736-M738 VanDerWaalsContact C-N 3.34Å; A736-M738 PolarHBondContact O-N 2.87Å; A736-E739 PolarHBondContact O-N 3.34Å; A736-L740 PolarHBondContact O-N 2.95Å |
| 737 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.4 | -58.5 | 165.7 | 0 | 0 | 0 | 110.6 | F677 V720 A733 I734 E739 L740 M741 V765 M768 L769 F772 | F677-I737 HydrophobicContact CZ-CG2 4.17Å; V720-I737 HydrophobicContact CG1-CD1 4.33Å; V720-I737 HydrophobicContact CG2-CD1 4.17Å; V720-I737 HydrophobicContact CG2-CG1 3.71Å; A733-I737 WeakPolarHBondContact O-CG1 3.35Å; A733-I737 PolarHBondContact O-N 2.86Å; A733-I737 VanDerWaalsContact O-N 3.1Å; I734-I737 PolarHBondContact O-N 2.99Å; I737-E739 VanDerWaalsContact C-N 3.35Å; I737-E739 PolarHBondContact O-N 2.99Å; I737-L740 PolarHBondContact O-N 3.03Å; I737-M741 WeakPolarHBondContact O-CB 3.24Å; I737-M741 WeakPolarHBondContact O-CG 3.26Å; I737-M741 PolarHBondContact O-N 2.75Å; I737-V765 HydrophobicContact CG2-CG1 4.02Å; I737-M768 HydrophobicContact CD1-CB 3.89Å; I737-M768 HydrophobicContact CG1-CB 4.31Å; I737-L769 HydrophobicContact CD1-CD2 3.89Å; I737-L769 HydrophobicContact CD1-CG 4.1Å; I737-L769 HydrophobicContact CG2-CD1 3.98Å; I737-L769 HydrophobicContact CG2-CD2 4.11Å; I737-L769 HydrophobicContact CG2-CG 3.91Å; I737-F772 HydrophobicContact CD1-CE2 4.39Å |
| 738 | M | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.2 | -72.4 | -177.1 | 177 | 0 | 0 | 112.1 | F656 F677 I734 A735 A736 M741 N742 | F656-M738 HydrophobicContact CD1-CE 4.4Å; F656-M738 HydrophobicContact CD2-CE 4.42Å; F656-M738 HydrophobicContact CE1-CE 4.35Å; F656-M738 HydrophobicContact CE1-SD 4.44Å; F656-M738 HydrophobicContact CE2-CE 4.37Å; F656-M738 HydrophobicContact CE2-SD 4Å; F656-M738 HydrophobicContact CG-CE 4.44Å; F656-M738 HydrophobicContact CZ-CE 4.33Å; F656-M738 HydrophobicContact CZ-SD 3.92Å; F677-M738 HydrophobicContact CB-CE 4.02Å; F677-M738 HydrophobicContact CD1-CE 3.77Å; F677-M738 HydrophobicContact CD1-CG 4.4Å; F677-M738 HydrophobicContact CD2-CE 4.27Å; F677-M738 HydrophobicContact CD2-CG 3.73Å; F677-M738 HydrophobicContact CE1-CE 4.17Å; F677-M738 HydrophobicContact CE1-CG 4.14Å; F677-M738 HydrophobicContact CE2-CB 4.13Å; F677-M738 HydrophobicContact CE2-CG 3.48Å; F677-M738 VanDerWaalsContact CE2-CG 3.48Å; F677-M738 HydrophobicContact CG-CE 3.75Å; F677-M738 HydrophobicContact CG-CG 4.16Å; F677-M738 HydrophobicContact CZ-CG 3.65Å; I734-M738 HydrophobicContact CG2-CE 3.68Å; I734-M738 HydrophobicContact CG2-CG 4.37Å; I734-M738 HydrophobicContact CG2-SD 4.3Å; I734-M738 WeakPolarHBondContact O-CG 3.44Å; I734-M738 PolarHBondContact O-N 3.19Å; A735-M738 PolarHBondContact O-N 2.95Å; A736-M738 VanDerWaalsContact C-N 3.34Å; A736-M738 PolarHBondContact O-N 2.87Å; M738-M741 PolarHBondContact O-N 2.9Å; M738-N742 PolarHBondContact O-N 3.07Å; M738-N742 PolarHBondContact O-ND2 3.28Å |
| 739 | E | 98.5 | Very high | 98 | Very high | 116 Ų | 116 | 39.7 Ų | 39.7 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176 | -170.2 | -175.9 | 154.4 | 0 | 0 | 111.4 | A735 A736 I737 M741 N742 K743 | A735-E739 PolarHBondContact O-N 3.49Å; A736-E739 PolarHBondContact O-N 3.34Å; I737-E739 VanDerWaalsContact C-N 3.35Å; I737-E739 PolarHBondContact O-N 2.99Å; E739-M741 PolarHBondContact O-N 2.93Å; E739-N742 WeakPolarHBondContact O-CB 3.44Å; E739-N742 PolarHBondContact O-N 2.91Å; E739-K743 PolarHBondContact O-N 2.82Å; E739-K743 IonicContact OE1-NZ 3.27Å |
| 740 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 174.8 | 177.2 | 60.1 | 0 | 0 | 0 | 111.3 | V713 T716 A736 I737 N742 K743 L744 V765 M768 | V713-L740 HydrophobicContact CG2-CD1 3.81Å; V713-L740 HydrophobicContact CG2-CD2 4.27Å; T716-L740 HydrophobicContact CG2-CB 4.09Å; T716-L740 HydrophobicContact CG2-CD2 3.9Å; A736-L740 PolarHBondContact O-N 2.95Å; I737-L740 PolarHBondContact O-N 3.03Å; L740-N742 PolarHBondContact O-N 3.41Å; L740-K743 WeakPolarHBondContact O-CA 3.47Å; L740-K743 WeakPolarHBondContact O-CB 3.42Å; L740-K743 PolarHBondContact O-N 2.84Å; L740-L744 HydrophobicContact CD1-CD1 4.3Å; L740-L744 HydrophobicContact CD1-CD2 4.46Å; L740-L744 HydrophobicContact CD1-CG 4.12Å; L740-L744 HydrophobicContact CD2-CD1 4.47Å; L740-L744 HydrophobicContact CG-CD1 3.93Å; L740-L744 HydrophobicContact CG-CG 4.22Å; L740-L744 WeakPolarHBondContact O-CG 3.27Å; L740-L744 PolarHBondContact O-N 3.38Å; L740-V765 HydrophobicContact CD2-CG2 3.71Å; L740-V765 HydrophobicContact CG-CG2 4.34Å; L740-M768 HydrophobicContact CD2-CE 4.23Å |
| 741 | M | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -35.7 | 177.2 | -84.8 | -61.9 | -56.4 | 0 | 0 | 113 | F677 I681 L684 I737 M738 E739 K743 L744 A745 V765 | F677-M741 HydrophobicContact CE2-CB 4.04Å; F677-M741 HydrophobicContact CE2-CG 3.92Å; F677-M741 HydrophobicContact CZ-CG 4.35Å; I681-M741 HydrophobicContact CB-CE 4.23Å; I681-M741 HydrophobicContact CG1-CE 3.69Å; I681-M741 HydrophobicContact CG1-CG 4.13Å; I681-M741 HydrophobicContact CG1-SD 4.01Å; L684-M741 HydrophobicContact CB-CE 4.21Å; L684-M741 HydrophobicContact CD2-CE 3.61Å; L684-M741 HydrophobicContact CD2-SD 4.17Å; I737-M741 WeakPolarHBondContact O-CB 3.24Å; I737-M741 WeakPolarHBondContact O-CG 3.26Å; I737-M741 PolarHBondContact O-N 2.75Å; M738-M741 PolarHBondContact O-N 2.9Å; E739-M741 PolarHBondContact O-N 2.93Å; M741-K743 VanDerWaalsContact C-N 3.31Å; M741-K743 PolarHBondContact O-N 2.77Å; M741-L744 PolarHBondContact O-N 3.43Å; M741-L744 HydrophobicContact SD-CD1 4.24Å; M741-A745 WeakPolarHBondContact O-CB 3.31Å; M741-A745 PolarHBondContact O-N 2.94Å; M741-V765 HydrophobicContact CG-CG1 4.21Å; M741-V765 HydrophobicContact SD-CG1 3.96Å; M741-V765 HydrophobicContact SD-CG2 4.48Å |
| 742 | N | 98.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -31.1 | 175.8 | -67.3 | -27.8 | 0 | 0 | 0 | 112.8 | M738 E739 L740 | M738-N742 PolarHBondContact O-N 3.07Å; M738-N742 PolarHBondContact O-ND2 3.28Å; E739-N742 WeakPolarHBondContact O-CB 3.44Å; E739-N742 PolarHBondContact O-N 2.91Å; L740-N742 PolarHBondContact O-N 3.41Å |
| 743 | K | 98.2 | Very high | 97.5 | Very high | 70 Ų | 70 | 52 Ų | 52 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74.8 | -46.7 | 174 | -64.4 | 177.3 | -178.5 | 176.2 | 0 | 110.6 | L709 D712 E739 L740 M741 A745 K746 A747 | L709-K743 HydrophobicContact CD1-CB 4.1Å; D712-K743 HydrophobicContact CB-CD 4.31Å; D712-K743 IonicContact OD1-NZ 3.68Å; D712-K743 PolarHBondContact OD1-NZ 2.79Å; D712-K743 WeakPolarHBondContact OD2-CD 3.32Å; D712-K743 WeakPolarHBondContact OD2-CE 3.3Å; D712-K743 IonicContact OD2-NZ 3.77Å; D712-K743 PolarHBondContact OD2-NZ 3.25Å; E739-K743 PolarHBondContact O-N 2.82Å; E739-K743 IonicContact OE1-NZ 3.27Å; L740-K743 WeakPolarHBondContact O-CA 3.47Å; L740-K743 WeakPolarHBondContact O-CB 3.42Å; L740-K743 PolarHBondContact O-N 2.84Å; M741-K743 VanDerWaalsContact C-N 3.31Å; M741-K743 PolarHBondContact O-N 2.77Å; K743-A745 VanDerWaalsContact C-N 3.33Å; K743-A745 PolarHBondContact O-N 3.34Å; K743-K746 PolarHBondContact O-N 2.93Å; K743-A747 PolarHBondContact O-N 3.18Å |
| 744 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 178.4 | -65.7 | 174.2 | 0 | 0 | 0 | 112.5 | L684 L709 L740 M741 K746 A747 M758 A761 V765 | L684-L744 HydrophobicContact CD2-CB 3.91Å; L709-L744 HydrophobicContact CD1-CD2 3.98Å; L709-L744 HydrophobicContact CD2-CD2 4.14Å; L709-L744 HydrophobicContact CG-CD2 4.27Å; L740-L744 HydrophobicContact CD1-CD1 4.3Å; L740-L744 HydrophobicContact CD1-CD2 4.46Å; L740-L744 HydrophobicContact CD1-CG 4.12Å; L740-L744 HydrophobicContact CD2-CD1 4.47Å; L740-L744 HydrophobicContact CG-CD1 3.93Å; L740-L744 HydrophobicContact CG-CG 4.22Å; L740-L744 WeakPolarHBondContact O-CG 3.27Å; L740-L744 PolarHBondContact O-N 3.38Å; M741-L744 PolarHBondContact O-N 3.43Å; M741-L744 HydrophobicContact SD-CD1 4.24Å; L744-K746 PolarHBondContact O-N 3.47Å; L744-A747 WeakPolarHBondContact O-CB 3.09Å; L744-A747 PolarHBondContact O-N 2.87Å; L744-M758 HydrophobicContact CB-CE 4.17Å; L744-M758 HydrophobicContact CB-SD 4.25Å; L744-M758 HydrophobicContact CD2-CE 4.21Å; L744-M758 HydrophobicContact CD2-SD 4.12Å; L744-M758 WeakPolarHBondContact O-CE 3.38Å; L744-A761 HydrophobicContact CD1-CB 3.9Å; L744-A761 HydrophobicContact CD2-CB 3.47Å; L744-A761 VanDerWaalsContact CD2-CB 3.47Å; L744-A761 HydrophobicContact CG-CB 4.35Å; L744-V765 HydrophobicContact CD1-CG2 4.01Å |
| 745 | A | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M741 K743 | M741-A745 WeakPolarHBondContact O-CB 3.31Å; M741-A745 PolarHBondContact O-N 2.94Å; K743-A745 VanDerWaalsContact C-N 3.33Å; K743-A745 PolarHBondContact O-N 3.34Å |
| 746 | K | 97.4 | Very high | 97.4 | Very high | 177 Ų | 177 | 53 Ų | 53 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -6.2 | 176.4 | -63.3 | 175 | -176 | 174.9 | 0 | 112.8 | K743 L744 | K743-K746 PolarHBondContact O-N 2.93Å; L744-K746 PolarHBondContact O-N 3.47Å |
| 747 | A | 97.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -73.1 | 147.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | L709 K743 L744 M758 | L709-A747 HydrophobicContact CD2-CB 3.65Å; K743-A747 PolarHBondContact O-N 3.18Å; L744-A747 WeakPolarHBondContact O-CB 3.09Å; L744-A747 PolarHBondContact O-N 2.87Å; A747-M758 HydrophobicContact CB-CE 3.93Å |
| 748 | P | 96 | Very high | 97.3 | Very high | 86 Ų | 86 | 53 Ų | 53 | 56% | 0.558 | 29% | 0.285 | S | S | * | . | trans | -57.1 | 147.3 | 167.5 | -20.8 | 32.8 | 0 | 0 | 0 | 110.9 | D754 | P748-D754 HydrophobicContact CB-CB 4.43Å; P748-D754 WeakPolarHBondContact O-CB 3.42Å | ||
| 749 | T | 95.2 | Very high | 97.3 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | trans | -137 | 17.6 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 113 | K691 R755 M758 | K691-T749 PolarHBondContact NZ-O 3.26Å; K691-T749 PolarHBondContact NZ-OG1 3.37Å; T749-R755 WeakPolarHBondContact O-CD 3.48Å; T749-R755 WeakPolarHBondContact O-CG 3.49Å; T749-M758 HydrophobicContact CG2-CE 3.79Å; T749-M758 HydrophobicContact CG2-CG 4.46Å | ||
| 750 | D | 93.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 49.9 Ų | 49.9 | 72% | 0.717 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -103.2 | -38.9 | -174.9 | -61.4 | -37.1 | 0 | 0 | 0 | 112.8 | K691 | K691-D750 IonicContact NZ-OD1 2.84Å; K691-D750 PolarHBondContact NZ-OD1 2.97Å |
| 751 | G | 94.9 | Very high | 97.3 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -68 | 145.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q753 D754 R755 | G751-Q753 VanDerWaalsContact C-N 3.29Å; G751-Q753 PolarHBondContact O-N 2.86Å; G751-D754 WeakPolarHBondContact CA-OD2 3.2Å; G751-D754 PolarHBondContact N-OD2 2.82Å; G751-D754 WeakPolarHBondContact O-CB 3.41Å; G751-D754 PolarHBondContact O-N 2.88Å; G751-D754 VanDerWaalsContact O-N 3.09Å; G751-R755 WeakPolarHBondContact O-CG 3.43Å; G751-R755 PolarHBondContact O-N 2.84Å |
| 752 | E | 96.1 | Very high | 97.4 | Very high | 148 Ų | 148 | 49.5 Ų | 49.5 | 69% | 0.692 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.4 | -42 | -179 | -72.7 | -171.2 | 160.7 | 0 | 0 | 112.6 | A695 R755 A756 | A695-E752 HydrophobicContact CB-CB 4.48Å; E752-R755 PolarHBondContact O-N 3.39Å; E752-A756 WeakPolarHBondContact O-CB 3.01Å; E752-A756 PolarHBondContact O-N 3.11Å |
| 753 | Q | 96.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.8 | -34.6 | 176.6 | -75.9 | -76.4 | 101.3 | 0 | 0 | 112.7 | N698 G751 R755 A756 L757 | N698-Q753 PolarHBondContact O-NE2 3.35Å; G751-Q753 VanDerWaalsContact C-N 3.29Å; G751-Q753 PolarHBondContact O-N 2.86Å; Q753-R755 VanDerWaalsContact C-N 3.32Å; Q753-A756 PolarHBondContact O-N 3.12Å; Q753-L757 WeakPolarHBondContact O-CB 3.37Å; Q753-L757 PolarHBondContact O-N 2.79Å |
| 754 | D | 97.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 44 Ų | 44 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 173.7 | -61.5 | -53 | 0 | 0 | 0 | 110.6 | Q706 P748 G751 L757 M758 | Q706-D754 PolarHBondContact NE2-OD1 3.33Å; P748-D754 HydrophobicContact CB-CB 4.43Å; P748-D754 WeakPolarHBondContact O-CB 3.42Å; G751-D754 WeakPolarHBondContact CA-OD2 3.2Å; G751-D754 PolarHBondContact N-OD2 2.82Å; G751-D754 WeakPolarHBondContact O-CB 3.41Å; G751-D754 PolarHBondContact O-N 2.88Å; G751-D754 VanDerWaalsContact O-N 3.09Å; D754-L757 PolarHBondContact O-N 3.24Å; D754-M758 WeakPolarHBondContact O-CB 3.08Å; D754-M758 PolarHBondContact O-N 3.18Å |
| 755 | R | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.9 | -67.8 | -168.1 | 65.5 | -119 | -7.9 | 112.5 | H688 K691 G692 D693 V694 T749 G751 E752 Q753 L757 M758 Q759 | H688-R755 PolarHBondContact CE1-O 2.93Å; H688-R755 VanDerWaalsContact CE1-O 3.31Å; H688-R755 PolarHBondContact O-NH2 3.04Å; K691-R755 PolarHBondContact O-NH1 3.3Å; G692-R755 PolarHBondContact O-NH2 3.35Å; D693-R755 PolarHBondContact O-NH1 2.73Å; V694-R755 HydrophobicContact CG1-CB 3.96Å; T749-R755 WeakPolarHBondContact O-CD 3.48Å; T749-R755 WeakPolarHBondContact O-CG 3.49Å; G751-R755 WeakPolarHBondContact O-CG 3.43Å; G751-R755 PolarHBondContact O-N 2.84Å; E752-R755 PolarHBondContact O-N 3.39Å; Q753-R755 VanDerWaalsContact C-N 3.32Å; R755-L757 VanDerWaalsContact C-N 3.3Å; R755-L757 PolarHBondContact O-N 3.43Å; R755-M758 PolarHBondContact O-N 3.46Å; R755-Q759 WeakPolarHBondContact O-CB 3.38Å; R755-Q759 PolarHBondContact O-N 3.32Å |
| 756 | A | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A695 L697 E752 Q753 Q759 E760 | A695-A756 VanDerWaalsContact O-CB 3.26Å; A695-A756 WeakPolarHBondContact O-CB 3.21Å; L697-A756 HydrophobicContact CB-CB 3.95Å; L697-A756 HydrophobicContact CD1-CB 3.84Å; E752-A756 WeakPolarHBondContact O-CB 3.01Å; E752-A756 PolarHBondContact O-N 3.11Å; Q753-A756 PolarHBondContact O-N 3.12Å; A756-Q759 WeakPolarHBondContact O-CB 3.49Å; A756-Q759 PolarHBondContact O-N 2.9Å; A756-E760 PolarHBondContact O-N 2.96Å; A756-E760 VanDerWaalsContact O-N 3.12Å |
| 757 | L | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 175.4 | 179.2 | 60.2 | 0 | 0 | 0 | 111.8 | L697 Q706 L709 R710 Q753 D754 R755 Q759 E760 A761 | L697-L757 HydrophobicContact CD1-CB 4.06Å; L697-L757 HydrophobicContact CD2-CD1 4.38Å; Q706-L757 HydrophobicContact CB-CD2 3.99Å; Q706-L757 HydrophobicContact CG-CD2 4.22Å; Q706-L757 WeakPolarHBondContact O-CD2 3.47Å; L709-L757 HydrophobicContact CB-CD2 4.22Å; L709-L757 HydrophobicContact CD2-CD2 4.01Å; L709-L757 HydrophobicContact CG-CD2 4.32Å; R710-L757 HydrophobicContact CB-CD1 3.67Å; R710-L757 HydrophobicContact CG-CD1 3.81Å; Q753-L757 WeakPolarHBondContact O-CB 3.37Å; Q753-L757 PolarHBondContact O-N 2.79Å; D754-L757 PolarHBondContact O-N 3.24Å; R755-L757 VanDerWaalsContact C-N 3.3Å; R755-L757 PolarHBondContact O-N 3.43Å; L757-Q759 VanDerWaalsContact C-N 3.27Å; L757-Q759 PolarHBondContact O-N 3.2Å; L757-E760 PolarHBondContact O-N 3.39Å; L757-A761 WeakPolarHBondContact O-CB 3.38Å; L757-A761 PolarHBondContact O-N 3.39Å |
| 758 | M | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.1 | -173.9 | 58.2 | 68.7 | 0 | 0 | 111.3 | L684 H688 L744 A747 T749 D754 R755 A761 L762 | L684-M758 HydrophobicContact CD2-SD 4.31Å; H688-M758 HydrophobicContact CB-CG 4.48Å; L744-M758 HydrophobicContact CB-CE 4.17Å; L744-M758 HydrophobicContact CB-SD 4.25Å; L744-M758 HydrophobicContact CD2-CE 4.21Å; L744-M758 HydrophobicContact CD2-SD 4.12Å; L744-M758 WeakPolarHBondContact O-CE 3.38Å; A747-M758 HydrophobicContact CB-CE 3.93Å; T749-M758 HydrophobicContact CG2-CE 3.79Å; T749-M758 HydrophobicContact CG2-CG 4.46Å; D754-M758 WeakPolarHBondContact O-CB 3.08Å; D754-M758 PolarHBondContact O-N 3.18Å; R755-M758 PolarHBondContact O-N 3.46Å; M758-A761 PolarHBondContact O-N 2.83Å; M758-L762 HydrophobicContact CG-CD1 3.82Å; M758-L762 HydrophobicContact CG-CG 4.2Å; M758-L762 WeakPolarHBondContact O-CB 3.14Å; M758-L762 VanDerWaalsContact O-CG 3.3Å; M758-L762 WeakPolarHBondContact O-CG 3.18Å; M758-L762 PolarHBondContact O-N 2.88Å; M758-L762 HydrophobicContact SD-CD1 4.03Å; M758-L762 HydrophobicContact SD-CD2 4.39Å; M758-L762 HydrophobicContact SD-CG 3.92Å |
| 759 | Q | 98.7 | Very high | 97.8 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -50.6 | 174.3 | -177.7 | 70.8 | 14 | 0 | 0 | 111.5 | H688 V694 R755 A756 L757 A761 L762 L763 L784 | H688-Q759 PolarHBondContact NE2-OE1 3.19Å; V694-Q759 HydrophobicContact CG1-CB 4.27Å; V694-Q759 HydrophobicContact CG2-CB 3.87Å; V694-Q759 HydrophobicContact CG2-CG 3.79Å; R755-Q759 WeakPolarHBondContact O-CB 3.38Å; R755-Q759 PolarHBondContact O-N 3.32Å; A756-Q759 WeakPolarHBondContact O-CB 3.49Å; A756-Q759 PolarHBondContact O-N 2.9Å; L757-Q759 VanDerWaalsContact C-N 3.27Å; L757-Q759 PolarHBondContact O-N 3.2Å; Q759-A761 VanDerWaalsContact C-N 3.3Å; Q759-A761 PolarHBondContact O-N 2.9Å; Q759-L762 PolarHBondContact O-N 3.12Å; Q759-L763 HydrophobicContact CG-CD1 3.98Å; Q759-L763 HydrophobicContact CG-CG 4.46Å; Q759-L763 WeakPolarHBondContact O-CB 3.39Å; Q759-L763 VanDerWaalsContact O-CG 3.24Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 3.01Å; Q759-L784 PolarHBondContact NE2-O 3.42Å |
| 760 | E | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 27.9 Ų | 27.9 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 176.1 | -179.4 | -177.7 | -132.9 | 0 | 0 | 111 | L697 R710 H714 A756 L757 L763 A764 | L697-E760 HydrophobicContact CD2-CB 4.4Å; L697-E760 VanDerWaalsContact CD2-OE2 3.23Å; L697-E760 WeakPolarHBondContact CD2-OE2 3.47Å; R710-E760 WeakPolarHBondContact CD-OE2 3.47Å; R710-E760 IonicContact CZ-OE1 3.84Å; R710-E760 IonicContact CZ-OE2 3.19Å; R710-E760 IonicContact NE-OE1 3.44Å; R710-E760 PolarHBondContact NE-OE1 3.38Å; R710-E760 IonicContact NE-OE2 3.77Å; R710-E760 PolarHBondContact NE-OE2 3.32Å; R710-E760 IonicContact NH2-OE1 3.1Å; R710-E760 PolarHBondContact NH2-OE1 2.99Å; R710-E760 IonicContact NH2-OE2 3.62Å; H714-E760 IonicContact NE2-OE1 2.77Å; A756-E760 PolarHBondContact O-N 2.96Å; A756-E760 VanDerWaalsContact O-N 3.12Å; L757-E760 PolarHBondContact O-N 3.39Å; E760-L763 PolarHBondContact O-N 2.92Å; E760-A764 PolarHBondContact O-N 2.83Å |
| 761 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V713 L744 L757 M758 Q759 A764 V765 | V713-A761 HydrophobicContact CG2-CB 3.66Å; L744-A761 HydrophobicContact CD1-CB 3.9Å; L744-A761 HydrophobicContact CD2-CB 3.47Å; L744-A761 VanDerWaalsContact CD2-CB 3.47Å; L744-A761 HydrophobicContact CG-CB 4.35Å; L757-A761 WeakPolarHBondContact O-CB 3.38Å; L757-A761 PolarHBondContact O-N 3.39Å; M758-A761 PolarHBondContact O-N 2.83Å; Q759-A761 VanDerWaalsContact C-N 3.3Å; Q759-A761 PolarHBondContact O-N 2.9Å; A761-A764 WeakPolarHBondContact O-CB 3.47Å; A761-A764 PolarHBondContact O-N 3.43Å; A761-V765 WeakPolarHBondContact O-CG2 3.39Å; A761-V765 PolarHBondContact O-N 2.86Å |
| 762 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 179.7 | -70.2 | 175.6 | 0 | 0 | 0 | 111.8 | L684 V685 H688 M758 Q759 A764 V765 V766 L784 | L684-L762 HydrophobicContact CD2-CD2 3.99Å; L684-L762 HydrophobicContact CG-CD2 4.25Å; V685-L762 HydrophobicContact CG2-CD1 4.21Å; V685-L762 HydrophobicContact CG2-CD2 4.06Å; H688-L762 HydrophobicContact CB-CD1 3.85Å; M758-L762 HydrophobicContact CG-CD1 3.82Å; M758-L762 HydrophobicContact CG-CG 4.2Å; M758-L762 WeakPolarHBondContact O-CB 3.14Å; M758-L762 VanDerWaalsContact O-CG 3.3Å; M758-L762 WeakPolarHBondContact O-CG 3.18Å; M758-L762 PolarHBondContact O-N 2.88Å; M758-L762 HydrophobicContact SD-CD1 4.03Å; M758-L762 HydrophobicContact SD-CD2 4.39Å; M758-L762 HydrophobicContact SD-CG 3.92Å; Q759-L762 PolarHBondContact O-N 3.12Å; L762-A764 VanDerWaalsContact C-N 3.25Å; L762-A764 PolarHBondContact O-N 2.98Å; L762-V765 PolarHBondContact O-N 3.02Å; L762-V766 WeakPolarHBondContact O-CB 3.17Å; L762-V766 VanDerWaalsContact O-CG2 3.29Å; L762-V766 WeakPolarHBondContact O-CG2 3.45Å; L762-V766 PolarHBondContact O-N 2.73Å; L762-L784 HydrophobicContact CB-CD1 3.92Å; L762-L784 HydrophobicContact CB-CD2 4.01Å; L762-L784 HydrophobicContact CD1-CD2 4.16Å |
| 763 | L | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 13 Ų | 13 | 18% | 0.178 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | 172.3 | -72.1 | 172.4 | 0 | 0 | 0 | 111.8 | Q759 E760 R767 W781 L784 | Q759-L763 HydrophobicContact CG-CD1 3.98Å; Q759-L763 HydrophobicContact CG-CG 4.46Å; Q759-L763 WeakPolarHBondContact O-CB 3.39Å; Q759-L763 VanDerWaalsContact O-CG 3.24Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 3.01Å; E760-L763 PolarHBondContact O-N 2.92Å; L763-R767 WeakPolarHBondContact O-CG 3.32Å; L763-R767 PolarHBondContact O-N 2.91Å; L763-R767 PolarHBondContact O-NE 2.77Å; L763-W781 HydrophobicContact CB-CZ3 4.18Å; L763-W781 HydrophobicContact CD2-CE3 3.8Å; L763-W781 HydrophobicContact CD2-CH2 4.03Å; L763-W781 HydrophobicContact CD2-CZ3 3.4Å; L763-W781 HydrophobicContact CG-CZ3 4.37Å; L763-L784 HydrophobicContact CD2-CB 3.83Å; L763-L784 HydrophobicContact CD2-CD1 4.31Å |
| 764 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.017 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -71.5 | -48.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V713 I717 E760 A761 L762 V766 R767 M768 | V713-A764 HydrophobicContact CG1-CB 4.14Å; I717-A764 HydrophobicContact CD1-CB 3.94Å; I717-A764 HydrophobicContact CG1-CB 4.29Å; E760-A764 PolarHBondContact O-N 2.83Å; A761-A764 WeakPolarHBondContact O-CB 3.47Å; A761-A764 PolarHBondContact O-N 3.43Å; L762-A764 VanDerWaalsContact C-N 3.25Å; L762-A764 PolarHBondContact O-N 2.98Å; A764-V766 PolarHBondContact O-N 2.96Å; A764-R767 PolarHBondContact O-N 3Å; A764-M768 HydrophobicContact CB-CE 4.35Å; A764-M768 WeakPolarHBondContact O-CB 3.43Å; A764-M768 WeakPolarHBondContact O-CG 3.19Å; A764-M768 PolarHBondContact O-N 3.33Å |
| 765 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | -179.6 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | I737 L740 M741 L744 A761 L762 R767 M768 L769 | I737-V765 HydrophobicContact CG2-CG1 4.02Å; L740-V765 HydrophobicContact CD2-CG2 3.71Å; L740-V765 HydrophobicContact CG-CG2 4.34Å; M741-V765 HydrophobicContact CG-CG1 4.21Å; M741-V765 HydrophobicContact SD-CG1 3.96Å; M741-V765 HydrophobicContact SD-CG2 4.48Å; L744-V765 HydrophobicContact CD1-CG2 4.01Å; A761-V765 WeakPolarHBondContact O-CG2 3.39Å; A761-V765 PolarHBondContact O-N 2.86Å; L762-V765 PolarHBondContact O-N 3.02Å; V765-R767 VanDerWaalsContact C-N 3.33Å; V765-R767 PolarHBondContact O-N 3.34Å; V765-M768 HydrophobicContact CG2-CE 4.3Å; V765-M768 PolarHBondContact O-N 3.43Å; V765-L769 HydrophobicContact CG1-CD1 3.8Å; V765-L769 WeakPolarHBondContact O-CB 3.41Å; V765-L769 PolarHBondContact O-N 2.99Å |
| 766 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.006 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | -179.3 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L762 A764 L769 N770 C777 L780 W781 L784 I790 | L762-V766 WeakPolarHBondContact O-CB 3.17Å; L762-V766 VanDerWaalsContact O-CG2 3.29Å; L762-V766 WeakPolarHBondContact O-CG2 3.45Å; L762-V766 PolarHBondContact O-N 2.73Å; A764-V766 PolarHBondContact O-N 2.96Å; V766-L769 PolarHBondContact O-N 3.07Å; V766-N770 PolarHBondContact O-N 2.83Å; V766-C777 HydrophobicContact CG1-CB 3.86Å; V766-C777 WeakPolarHBondContact CG1-O 3.38Å; V766-C777 PolarHBondContact O-SG 3.18Å; V766-C777 VanDerWaalsContact O-SG 3.41Å; V766-L780 HydrophobicContact CG1-CB 4.13Å; V766-L780 HydrophobicContact CG2-CB 3.86Å; V766-L780 HydrophobicContact CG2-CD1 4.12Å; V766-W781 HydrophobicContact CG1-CB 4.15Å; V766-L784 HydrophobicContact CB-CD1 4.42Å; V766-L784 HydrophobicContact CG2-CD1 3.79Å; V766-I790 HydrophobicContact CG1-CD1 3.61Å |
| 767 | R | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 8.1 Ų | 8.1 | 17% | 0.166 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 174.5 | -75.5 | -177.1 | -68.6 | 165.4 | -5.9 | 113.2 | M76 L763 A764 V765 L769 N770 P771 W781 I790 P794 W795 P796 | M76-R767 HydrophobicContact CE-CB 3.67Å; M76-R767 HydrophobicContact CE-CG 3.82Å; L763-R767 WeakPolarHBondContact O-CG 3.32Å; L763-R767 PolarHBondContact O-N 2.91Å; L763-R767 PolarHBondContact O-NE 2.77Å; A764-R767 PolarHBondContact O-N 3Å; V765-R767 VanDerWaalsContact C-N 3.33Å; V765-R767 PolarHBondContact O-N 3.34Å; R767-L769 PolarHBondContact O-N 2.98Å; R767-N770 WeakPolarHBondContact O-CB 3.43Å; R767-N770 PolarHBondContact O-N 3.33Å; R767-P771 WeakPolarHBondContact O-CD 3.41Å; R767-W781 HydrophobicContact CG-CE3 4.04Å; R767-W781 HydrophobicContact CG-CH2 4.22Å; R767-W781 HydrophobicContact CG-CZ3 3.64Å; R767-I790 HydrophobicContact CG-CG1 4.36Å; R767-P794 WeakPolarHBondContact CD-O 3.45Å; R767-P794 PolarHBondContact NH1-O 3.45Å; R767-W795 WeakPolarHBondContact O-CZ3 3.43Å; R767-P796 HydrophobicContact CB-CG 4.37Å |
| 768 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.7 | -29.7 | 175.8 | -74.6 | -172.5 | -65.9 | 0 | 0 | 112.7 | T716 I717 V720 I737 L740 A764 V765 F772 W795 P796 | T716-M768 HydrophobicContact CG2-CE 4Å; T716-M768 HydrophobicContact CG2-SD 4.25Å; I717-M768 HydrophobicContact CB-SD 4.37Å; I717-M768 HydrophobicContact CG1-CE 4.19Å; I717-M768 HydrophobicContact CG1-SD 3.89Å; V720-M768 HydrophobicContact CB-CG 4.49Å; V720-M768 HydrophobicContact CB-SD 3.83Å; V720-M768 HydrophobicContact CG1-CB 4.17Å; V720-M768 HydrophobicContact CG1-CG 4.08Å; V720-M768 HydrophobicContact CG1-SD 4.06Å; V720-M768 HydrophobicContact CG2-SD 3.84Å; I737-M768 HydrophobicContact CD1-CB 3.89Å; I737-M768 HydrophobicContact CG1-CB 4.31Å; L740-M768 HydrophobicContact CD2-CE 4.23Å; A764-M768 HydrophobicContact CB-CE 4.35Å; A764-M768 WeakPolarHBondContact O-CB 3.43Å; A764-M768 WeakPolarHBondContact O-CG 3.19Å; A764-M768 PolarHBondContact O-N 3.33Å; V765-M768 HydrophobicContact CG2-CE 4.3Å; V765-M768 PolarHBondContact O-N 3.43Å; M768-F772 WeakPolarHBondContact O-CE2 3.44Å; M768-W795 HydrophobicContact CB-CH2 4.35Å; M768-W795 HydrophobicContact CG-CH2 4.23Å; M768-W795 HydrophobicContact CG-CZ2 4.26Å; M768-P796 HydrophobicContact CG-CG 3.85Å |
| 769 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -85 | -21.8 | 177.1 | -78.4 | 169.7 | 0 | 0 | 0 | 114.2 | L652 F677 I681 I737 V765 V766 R767 P771 F772 T773 C777 | L652-L769 HydrophobicContact CD1-CD2 4.4Å; F677-L769 HydrophobicContact CE1-CD1 4.25Å; F677-L769 HydrophobicContact CE1-CD2 4.08Å; F677-L769 HydrophobicContact CZ-CD1 4.28Å; I681-L769 HydrophobicContact CD1-CD1 3.34Å; I681-L769 HydrophobicContact CG1-CD1 4.38Å; I737-L769 HydrophobicContact CD1-CD2 3.89Å; I737-L769 HydrophobicContact CD1-CG 4.1Å; I737-L769 HydrophobicContact CG2-CD1 3.98Å; I737-L769 HydrophobicContact CG2-CD2 4.11Å; I737-L769 HydrophobicContact CG2-CG 3.91Å; V765-L769 HydrophobicContact CG1-CD1 3.8Å; V765-L769 WeakPolarHBondContact O-CB 3.41Å; V765-L769 PolarHBondContact O-N 2.99Å; V766-L769 PolarHBondContact O-N 3.07Å; R767-L769 PolarHBondContact O-N 2.98Å; L769-P771 VanDerWaalsContact C-CD 3.44Å; L769-P771 VanDerWaalsContact C-N 3.32Å; L769-F772 HydrophobicContact CD2-CD2 4.36Å; L769-F772 WeakPolarHBondContact O-CA 3.39Å; L769-F772 PolarHBondContact O-N 2.88Å; L769-T773 PolarHBondContact O-N 3.37Å; L769-T773 PolarHBondContact O-OG1 2.84Å; L769-C777 VanDerWaalsContact CB-SG 3.51Å |
| 770 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -43.7 | -176 | -174.1 | 48.8 | 0 | 0 | 0 | 114.1 | M76 V766 R767 F772 P774 C777 I790 | M76-N770 HydrophobicContact CE-CB 4.49Å; M76-N770 HydrophobicContact SD-CB 4.05Å; M76-N770 PolarHBondContact SD-ND2 3.13Å; M76-N770 VanDerWaalsContact SD-ND2 3.4Å; V766-N770 PolarHBondContact O-N 2.83Å; R767-N770 WeakPolarHBondContact O-CB 3.43Å; R767-N770 PolarHBondContact O-N 3.33Å; N770-F772 PolarHBondContact O-N 3.01Å; N770-P774 VanDerWaalsContact O-CA 3.27Å; N770-P774 WeakPolarHBondContact O-CA 3.47Å; N770-P774 WeakPolarHBondContact O-CB 3.39Å; N770-C777 HydrophobicContact CB-CB 4.07Å; N770-I790 HydrophobicContact CB-CD1 3.63Å; N770-I790 HydrophobicContact CB-CG1 4.2Å; N770-I790 WeakPolarHBondContact OD1-CG2 3.42Å |
| 771 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.8 | 176.7 | -26.6 | 38 | 0 | 0 | 0 | 114.2 | V69 R72 R651 R767 L769 W795 | V69-P771 HydrophobicContact CB-CB 4.27Å; V69-P771 HydrophobicContact CG1-CB 3.96Å; V69-P771 HydrophobicContact CG2-CB 4.44Å; V69-P771 VanDerWaalsContact CG2-O 3.23Å; V69-P771 WeakPolarHBondContact CG2-O 3.48Å; V69-P771 WeakPolarHBondContact O-CB 3.45Å; R72-P771 HydrophobicContact CB-CB 4.22Å; R72-P771 HydrophobicContact CB-CG 4.46Å; R651-P771 PolarHBondContact NH2-O 2.96Å; R651-P771 VanDerWaalsContact NH2-O 3.07Å; R767-P771 WeakPolarHBondContact O-CD 3.41Å; L769-P771 VanDerWaalsContact C-CD 3.44Å; L769-P771 VanDerWaalsContact C-N 3.32Å; P771-W795 HydrophobicContact CG-CH2 4.48Å; P771-W795 HydrophobicContact CG-CZ3 3.86Å |
| 772 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -45.8 | -177.4 | -53 | -70.2 | 0 | 0 | 0 | 111.9 | V69 R651 L652 M655 I724 F730 A733 I734 I737 M768 L769 N770 | V69-F772 HydrophobicContact CB-CD1 4.49Å; V69-F772 HydrophobicContact CB-CE1 4.44Å; V69-F772 HydrophobicContact CG1-CD1 4.06Å; V69-F772 HydrophobicContact CG1-CE1 3.59Å; V69-F772 HydrophobicContact CG1-CZ 4.17Å; V69-F772 HydrophobicContact CG2-CD1 3.51Å; V69-F772 HydrophobicContact CG2-CE1 3.89Å; V69-F772 HydrophobicContact CG2-CG 4.35Å; R651-F772 WeakPolarHBondContact CB-O 3.45Å; R651-F772 PolarHBondContact NE-O 3.36Å; L652-F772 HydrophobicContact CD1-CB 4.07Å; M655-F772 HydrophobicContact CB-CD1 4.02Å; M655-F772 HydrophobicContact CB-CE1 4.38Å; M655-F772 HydrophobicContact CG-CD1 4.04Å; I724-F772 HydrophobicContact CD1-CE2 3.81Å; I724-F772 HydrophobicContact CD1-CZ 3.59Å; I724-F772 HydrophobicContact CG1-CZ 3.91Å; F730-F772 HydrophobicContact CB-CE1 3.91Å; F730-F772 HydrophobicContact CD1-CE1 4.1Å; F730-F772 HydrophobicContact CG-CE1 4.32Å; A733-F772 HydrophobicContact CB-CZ 4.27Å; I734-F772 HydrophobicContact CD1-CD1 3.94Å; I734-F772 HydrophobicContact CD1-CE1 4.11Å; I734-F772 HydrophobicContact CD1-CG 4.28Å; I734-F772 HydrophobicContact CG1-CD1 4.23Å; I734-F772 HydrophobicContact CG1-CD2 4.22Å; I734-F772 HydrophobicContact CG1-CE1 4.22Å; I734-F772 HydrophobicContact CG1-CE2 4.19Å; I734-F772 HydrophobicContact CG1-CG 4.23Å; I734-F772 HydrophobicContact CG1-CZ 4.19Å; I737-F772 HydrophobicContact CD1-CE2 4.39Å; M768-F772 WeakPolarHBondContact O-CE2 3.44Å; L769-F772 HydrophobicContact CD2-CD2 4.36Å; L769-F772 WeakPolarHBondContact O-CA 3.39Å; L769-F772 PolarHBondContact O-N 2.88Å; N770-F772 PolarHBondContact O-N 3.01Å |
| 773 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -132.7 | 71 | -171.8 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | D648 L652 L678 L769 H775 I776 C777 | D648-T773 HydrophobicContact CB-CG2 3.77Å; D648-T773 VanDerWaalsContact O-CG2 3.26Å; D648-T773 WeakPolarHBondContact O-CG2 3.37Å; D648-T773 VanDerWaalsContact OD1-C 3.24Å; D648-T773 WeakPolarHBondContact OD1-CA 3.42Å; L652-T773 HydrophobicContact CB-CG2 3.72Å; L652-T773 HydrophobicContact CD1-CG2 4.24Å; L652-T773 HydrophobicContact CG-CG2 4.39Å; L678-T773 HydrophobicContact CD1-CG2 4.27Å; L678-T773 HydrophobicContact CD2-CG2 4.01Å; L769-T773 PolarHBondContact O-N 3.37Å; L769-T773 PolarHBondContact O-OG1 2.84Å; T773-H775 VanDerWaalsContact C-N 3.35Å; T773-H775 PolarHBondContact O-N 3.14Å; T773-I776 WeakPolarHBondContact O-CG2 3.46Å; T773-C777 WeakPolarHBondContact O-CB 3.42Å; T773-C777 PolarHBondContact O-N 3.38Å; T773-C777 PolarHBondContact O-SG 2.85Å | ||
| 774 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.6 | -28.5 | -167.8 | 27 | -36 | 0 | 0 | 0 | 113.7 | W26 R72 D648 N770 F778 | W26-P774 HydrophobicContact CH2-CB 3.7Å; W26-P774 HydrophobicContact CH2-CG 3.88Å; W26-P774 HydrophobicContact CZ2-CB 3.93Å; R72-P774 VanDerWaalsContact NH1-CB 3.34Å; D648-P774 WeakPolarHBondContact OD1-CD 3.42Å; N770-P774 VanDerWaalsContact O-CA 3.27Å; N770-P774 WeakPolarHBondContact O-CA 3.47Å; N770-P774 WeakPolarHBondContact O-CB 3.39Å; P774-F778 VanDerWaalsContact O-CB 3.23Å; P774-F778 WeakPolarHBondContact O-CB 3.32Å; P774-F778 PolarHBondContact O-N 2.72Å |
| 775 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.1 | -49.1 | -174.3 | -45.9 | 90.6 | 0 | 0 | 0 | 112.3 | I18 E19 Q23 W26 G124 D648 T773 C777 T779 | I18-H775 HydrophobicContact CG2-CB 4.39Å; E19-H775 HydrophobicContact CB-CB 4.38Å; E19-H775 HydrophobicContact CG-CB 3.8Å; Q23-H775 PolarHBondContact NE2-NE2 2.96Å; W26-H775 AromaticContact CH2-CD2 3.68Å; W26-H775 AromaticContact CH2-NE2 3.91Å; W26-H775 AromaticContact CZ3-CD2 3.68Å; W26-H775 AromaticContact CZ3-NE2 3.6Å; G124-H775 WeakPolarHBondContact CA-NE2 3.38Å; D648-H775 IonicContact OD1-CE1 3.57Å; D648-H775 IonicContact OD1-CG 3.8Å; D648-H775 PolarHBondContact OD1-N 2.64Å; D648-H775 IonicContact OD1-ND1 3.22Å; D648-H775 PolarHBondContact OD1-ND1 3.31Å; D648-H775 WeakPolarHBondContact OD2-CB 3.1Å; D648-H775 PolarHBondContact OD2-N 3.46Å; D648-H775 IonicContact OD2-ND1 2.76Å; T773-H775 VanDerWaalsContact C-N 3.35Å; T773-H775 PolarHBondContact O-N 3.14Å; H775-C777 VanDerWaalsContact C-N 3.32Å; H775-T779 PolarHBondContact O-N 3.4Å; H775-T779 PolarHBondContact O-OG1 2.8Å |
| 776 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 175 | -166.7 | 179.2 | 0 | 0 | 0 | 109.5 | Y13 D648 L678 W682 T773 F778 T779 L780 | Y13-I776 HydrophobicContact CD2-CD1 4.03Å; Y13-I776 HydrophobicContact CD2-CG1 4.27Å; Y13-I776 HydrophobicContact CE1-CD1 4.31Å; Y13-I776 HydrophobicContact CE2-CB 4.16Å; Y13-I776 HydrophobicContact CE2-CD1 3.82Å; Y13-I776 HydrophobicContact CE2-CG1 3.89Å; Y13-I776 HydrophobicContact CG-CD1 4.38Å; D648-I776 WeakPolarHBondContact OD2-CB 3.37Å; D648-I776 VanDerWaalsContact OD2-CG2 3.23Å; D648-I776 WeakPolarHBondContact OD2-CG2 3.31Å; D648-I776 PolarHBondContact OD2-N 2.95Å; L678-I776 HydrophobicContact CB-CD1 4.08Å; L678-I776 HydrophobicContact CD2-CD1 4.37Å; L678-I776 HydrophobicContact CD2-CG2 4.34Å; W682-I776 HydrophobicContact CE3-CD1 4.09Å; W682-I776 HydrophobicContact CE3-CG1 3.83Å; W682-I776 HydrophobicContact CZ3-CG1 4.22Å; T773-I776 WeakPolarHBondContact O-CG2 3.46Å; I776-F778 PolarHBondContact O-N 2.82Å; I776-T779 PolarHBondContact O-N 3.43Å; I776-L780 HydrophobicContact CD1-CD1 4.22Å; I776-L780 HydrophobicContact CG1-CD1 3.84Å; I776-L780 HydrophobicContact CG1-CG 4.09Å; I776-L780 VanDerWaalsContact O-CG 3.23Å; I776-L780 WeakPolarHBondContact O-CG 3.42Å; I776-L780 PolarHBondContact O-N 2.78Å |
| 777 | C | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | -177.5 | -65 | 0 | 0 | 0 | 0 | 112.4 | V766 L769 N770 T773 H775 T779 L780 W781 I790 | V766-C777 HydrophobicContact CG1-CB 3.86Å; V766-C777 WeakPolarHBondContact CG1-O 3.38Å; V766-C777 PolarHBondContact O-SG 3.18Å; V766-C777 VanDerWaalsContact O-SG 3.41Å; L769-C777 VanDerWaalsContact CB-SG 3.51Å; N770-C777 HydrophobicContact CB-CB 4.07Å; T773-C777 WeakPolarHBondContact O-CB 3.42Å; T773-C777 PolarHBondContact O-N 3.38Å; T773-C777 PolarHBondContact O-SG 2.85Å; H775-C777 VanDerWaalsContact C-N 3.32Å; C777-T779 VanDerWaalsContact C-N 3.31Å; C777-T779 PolarHBondContact O-N 2.88Å; C777-L780 PolarHBondContact O-N 3.39Å; C777-W781 VanDerWaalsContact O-CB 3.23Å; C777-W781 WeakPolarHBondContact O-CB 3.19Å; C777-W781 PolarHBondContact O-N 3.42Å; C777-I790 HydrophobicContact CB-CD1 3.69Å |
| 778 | F | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 4% | 0.044 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.3 | -47.4 | 172.3 | -174.1 | -82.5 | 0 | 0 | 0 | 111.7 | V22 H25 P774 I776 Q782 D789 I790 D791 | V22-F778 HydrophobicContact CG1-CB 3.9Å; V22-F778 HydrophobicContact CG1-CD1 4.01Å; V22-F778 HydrophobicContact CG1-CD2 4.11Å; V22-F778 HydrophobicContact CG1-CG 3.74Å; V22-F778 HydrophobicContact CG2-CB 4.29Å; V22-F778 HydrophobicContact CG2-CD1 3.75Å; V22-F778 HydrophobicContact CG2-CE1 4.42Å; V22-F778 HydrophobicContact CG2-CG 4.2Å; H25-F778 AromaticContact CD2-CE2 3.72Å; H25-F778 AromaticContact CD2-CZ 3.5Å; H25-F778 AromaticContact NE2-CE2 3.79Å; H25-F778 AromaticContact NE2-CZ 3.51Å; P774-F778 VanDerWaalsContact O-CB 3.23Å; P774-F778 WeakPolarHBondContact O-CB 3.32Å; P774-F778 PolarHBondContact O-N 2.72Å; I776-F778 PolarHBondContact O-N 2.82Å; F778-Q782 PolarHBondContact O-N 2.84Å; F778-D789 HydrophobicContact CE2-CB 3.95Å; F778-I790 HydrophobicContact CB-CG2 4.01Å; F778-I790 HydrophobicContact CD2-CG2 3.97Å; F778-I790 HydrophobicContact CG-CG2 4.39Å; F778-D791 WeakPolarHBondContact CD2-OD2 3.41Å |
| 779 | T | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -49.4 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | I18 W682 H775 I776 C777 W781 Q782 E783 | I18-T779 WeakPolarHBondContact CG2-OG1 3.27Å; W682-T779 HydrophobicContact CH2-CG2 4.01Å; W682-T779 HydrophobicContact CZ3-CG2 4.11Å; H775-T779 PolarHBondContact O-N 3.4Å; H775-T779 PolarHBondContact O-OG1 2.8Å; I776-T779 PolarHBondContact O-N 3.43Å; C777-T779 VanDerWaalsContact C-N 3.31Å; C777-T779 PolarHBondContact O-N 2.88Å; T779-W781 VanDerWaalsContact C-N 3.25Å; T779-W781 PolarHBondContact O-N 2.84Å; T779-Q782 PolarHBondContact O-N 2.7Å; T779-E783 WeakPolarHBondContact O-CG 3.45Å; T779-E783 PolarHBondContact O-N 3.39Å; T779-E783 VanDerWaalsContact O-N 3.09Å |
| 780 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -34 | -179.3 | -64.3 | 177.7 | 0 | 0 | 0 | 112.4 | M9 I681 W682 V685 V766 I776 C777 E783 L784 | M9-L780 HydrophobicContact CE-CD2 3.43Å; M9-L780 VanDerWaalsContact CE-CD2 3.43Å; I681-L780 HydrophobicContact CG2-CD1 3.67Å; W682-L780 HydrophobicContact CD2-CD2 4.34Å; W682-L780 HydrophobicContact CE3-CD2 3.73Å; W682-L780 HydrophobicContact CE3-CG 4.4Å; W682-L780 HydrophobicContact CZ3-CD2 4.07Å; V685-L780 HydrophobicContact CB-CD2 3.83Å; V685-L780 HydrophobicContact CG1-CD2 3.78Å; V685-L780 HydrophobicContact CG2-CD1 4.28Å; V685-L780 HydrophobicContact CG2-CD2 4.08Å; V766-L780 HydrophobicContact CG1-CB 4.13Å; V766-L780 HydrophobicContact CG2-CB 3.86Å; V766-L780 HydrophobicContact CG2-CD1 4.12Å; I776-L780 HydrophobicContact CD1-CD1 4.22Å; I776-L780 HydrophobicContact CG1-CD1 3.84Å; I776-L780 HydrophobicContact CG1-CG 4.09Å; I776-L780 VanDerWaalsContact O-CG 3.23Å; I776-L780 WeakPolarHBondContact O-CG 3.42Å; I776-L780 PolarHBondContact O-N 2.78Å; C777-L780 PolarHBondContact O-N 3.39Å; L780-E783 PolarHBondContact O-N 2.92Å; L780-L784 WeakPolarHBondContact O-CB 3.35Å; L780-L784 VanDerWaalsContact O-CG 3.23Å; L780-L784 WeakPolarHBondContact O-CG 3.43Å; L780-L784 PolarHBondContact O-N 2.77Å |
| 781 | W | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.3 | -178.8 | -104.5 | 0 | 0 | 0 | 112.5 | L763 V766 R767 C777 T779 L784 K785 G786 E787 G788 I790 A793 | L763-W781 HydrophobicContact CB-CZ3 4.18Å; L763-W781 HydrophobicContact CD2-CE3 3.8Å; L763-W781 HydrophobicContact CD2-CH2 4.03Å; L763-W781 HydrophobicContact CD2-CZ3 3.4Å; L763-W781 HydrophobicContact CG-CZ3 4.37Å; V766-W781 HydrophobicContact CG1-CB 4.15Å; R767-W781 HydrophobicContact CG-CE3 4.04Å; R767-W781 HydrophobicContact CG-CH2 4.22Å; R767-W781 HydrophobicContact CG-CZ3 3.64Å; C777-W781 VanDerWaalsContact O-CB 3.23Å; C777-W781 WeakPolarHBondContact O-CB 3.19Å; C777-W781 PolarHBondContact O-N 3.42Å; T779-W781 VanDerWaalsContact C-N 3.25Å; T779-W781 PolarHBondContact O-N 2.84Å; W781-L784 PolarHBondContact O-N 2.51Å; W781-K785 PolarHBondContact O-N 3.22Å; W781-G786 VanDerWaalsContact CE2-CA 3.42Å; W781-G786 PolarHBondContact O-N 2.97Å; W781-E787 PolarHBondContact NE1-O 3.5Å; W781-G788 VanDerWaalsContact CD1-O 3.3Å; W781-G788 PolarHBondContact NE1-O 3.21Å; W781-I790 HydrophobicContact CB-CB 3.91Å; W781-I790 HydrophobicContact CB-CD1 3.98Å; W781-I790 HydrophobicContact CB-CG1 4.15Å; W781-I790 HydrophobicContact CD2-CB 4.32Å; W781-I790 HydrophobicContact CD2-CG1 4.13Å; W781-I790 HydrophobicContact CE3-CG1 4.46Å; W781-I790 HydrophobicContact CG-CB 3.76Å; W781-I790 HydrophobicContact CG-CD1 4.32Å; W781-I790 HydrophobicContact CG-CG1 4Å; W781-A793 HydrophobicContact CH2-CB 4.29Å; W781-A793 HydrophobicContact CZ2-CB 3.8Å |
| 782 | Q | 98.1 | Very high | 98.5 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64 | -43 | 175.7 | -68.4 | -175.8 | -11.8 | 0 | 0 | 111.4 | F778 T779 L784 K785 | F778-Q782 PolarHBondContact O-N 2.84Å; T779-Q782 PolarHBondContact O-N 2.7Å; Q782-L784 VanDerWaalsContact C-N 3.34Å; Q782-L784 PolarHBondContact O-N 2.79Å; Q782-K785 WeakPolarHBondContact O-CA 3.38Å; Q782-K785 PolarHBondContact O-N 2.79Å |
| 783 | E | 98 | Very high | 98.5 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -33.5 | 178.2 | -64.5 | -58.6 | 149.1 | 0 | 0 | 112.8 | M9 T689 T779 L780 K785 | M9-E783 HydrophobicContact CB-CG 4Å; M9-E783 HydrophobicContact CG-CG 4.09Å; M9-E783 HydrophobicContact SD-CB 4.09Å; M9-E783 HydrophobicContact SD-CG 3.92Å; T689-E783 HydrophobicContact CG2-CB 4.47Å; T689-E783 WeakPolarHBondContact CG2-O 3.35Å; T779-E783 WeakPolarHBondContact O-CG 3.45Å; T779-E783 PolarHBondContact O-N 3.39Å; T779-E783 VanDerWaalsContact O-N 3.09Å; L780-E783 PolarHBondContact O-N 2.92Å; E783-K785 PolarHBondContact O-N 3.19Å |
| 784 | L | 98.2 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 0.2 | 171.2 | -72.3 | 168.2 | 0 | 0 | 0 | 113.1 | V685 T689 Q759 L762 L763 V766 L780 W781 Q782 G786 | V685-L784 HydrophobicContact CG1-CD1 4.47Å; V685-L784 HydrophobicContact CG1-CD2 4.08Å; V685-L784 HydrophobicContact CG1-CG 3.97Å; V685-L784 HydrophobicContact CG2-CD1 4.47Å; T689-L784 HydrophobicContact CG2-CD2 4.12Å; Q759-L784 PolarHBondContact NE2-O 3.42Å; L762-L784 HydrophobicContact CB-CD1 3.92Å; L762-L784 HydrophobicContact CB-CD2 4.01Å; L762-L784 HydrophobicContact CD1-CD2 4.16Å; L763-L784 HydrophobicContact CD2-CB 3.83Å; L763-L784 HydrophobicContact CD2-CD1 4.31Å; V766-L784 HydrophobicContact CB-CD1 4.42Å; V766-L784 HydrophobicContact CG2-CD1 3.79Å; L780-L784 WeakPolarHBondContact O-CB 3.35Å; L780-L784 VanDerWaalsContact O-CG 3.23Å; L780-L784 WeakPolarHBondContact O-CG 3.43Å; L780-L784 PolarHBondContact O-N 2.77Å; W781-L784 PolarHBondContact O-N 2.51Å; Q782-L784 VanDerWaalsContact C-N 3.34Å; Q782-L784 PolarHBondContact O-N 2.79Å; L784-G786 PolarHBondContact O-N 2.99Å |
| 785 | K | 97.9 | Very high | 98.5 | Very high | 142 Ų | 142 | 38.8 Ų | 38.8 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.9 | -176.1 | -54.4 | -177.7 | 177 | -179.8 | 0 | 112.9 | D693 W781 Q782 E783 | D693-K785 VanDerWaalsContact CG-NZ 3.32Å; D693-K785 IonicContact OD1-NZ 2.75Å; D693-K785 PolarHBondContact OD1-NZ 2.88Å; D693-K785 IonicContact OD2-NZ 3.75Å; D693-K785 PolarHBondContact OD2-NZ 2.68Å; W781-K785 PolarHBondContact O-N 3.22Å; Q782-K785 WeakPolarHBondContact O-CA 3.38Å; Q782-K785 PolarHBondContact O-N 2.79Å; E783-K785 PolarHBondContact O-N 3.19Å |
| 786 | G | 97.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 39 Ų | 39 | 19% | 0.186 | 21% | 0.213 | C | C | . | . | trans | -62.3 | 148.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W781 L784 | W781-G786 VanDerWaalsContact CE2-CA 3.42Å; W781-G786 PolarHBondContact O-N 2.97Å; L784-G786 PolarHBondContact O-N 2.99Å | ||
| 787 | E | 97.9 | Very high | 98.4 | Very high | 181 Ų | 181 | 44.9 Ų | 44.9 | 85% | 0.846 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -75.2 | 133.9 | 180 | -172 | 179.9 | 179.2 | 0 | 0 | 111 | W781 | W781-E787 PolarHBondContact NE1-O 3.5Š|
| 788 | G | 98.1 | Very high | 98.4 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 63.4 | -168.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | W781 | W781-G788 VanDerWaalsContact CD1-O 3.3Å; W781-G788 PolarHBondContact NE1-O 3.21Å |
| 789 | D | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -82.4 | 141.7 | 173.1 | -70.3 | -15.4 | 0 | 0 | 0 | 110.1 | H25 F778 D791 N792 A793 | H25-D789 IonicContact CD2-OD2 3.55Å; H25-D789 IonicContact CE1-OD2 3.64Å; H25-D789 PolarHBondContact CE1-OD2 3.34Å; H25-D789 IonicContact NE2-OD2 2.8Å; H25-D789 PolarHBondContact NE2-OD2 3.41Å; F778-D789 HydrophobicContact CE2-CB 3.95Å; D789-D791 PolarHBondContact O-N 3.41Å; D789-D791 VanDerWaalsContact O-N 3.11Å; D789-N792 PolarHBondContact O-N 3.2Å; D789-A793 PolarHBondContact O-N 2.94Å | ||
| 790 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.3 | -29 | -175.9 | -161.4 | 178.5 | 0 | 0 | 0 | 112.9 | V766 R767 N770 C777 F778 W781 N792 A793 | V766-I790 HydrophobicContact CG1-CD1 3.61Å; R767-I790 HydrophobicContact CG-CG1 4.36Å; N770-I790 HydrophobicContact CB-CD1 3.63Å; N770-I790 HydrophobicContact CB-CG1 4.2Å; N770-I790 WeakPolarHBondContact OD1-CG2 3.42Å; C777-I790 HydrophobicContact CB-CD1 3.69Å; F778-I790 HydrophobicContact CB-CG2 4.01Å; F778-I790 HydrophobicContact CD2-CG2 3.97Å; F778-I790 HydrophobicContact CG-CG2 4.39Å; W781-I790 HydrophobicContact CB-CB 3.91Å; W781-I790 HydrophobicContact CB-CD1 3.98Å; W781-I790 HydrophobicContact CB-CG1 4.15Å; W781-I790 HydrophobicContact CD2-CB 4.32Å; W781-I790 HydrophobicContact CD2-CG1 4.13Å; W781-I790 HydrophobicContact CE3-CG1 4.46Å; W781-I790 HydrophobicContact CG-CB 3.76Å; W781-I790 HydrophobicContact CG-CD1 4.32Å; W781-I790 HydrophobicContact CG-CG1 4Å; I790-N792 PolarHBondContact O-N 2.89Å; I790-N792 VanDerWaalsContact O-N 3.16Å; I790-A793 HydrophobicContact CG1-CB 4.47Å; I790-A793 WeakPolarHBondContact O-CB 3.47Å; I790-A793 PolarHBondContact O-N 3.42Å; I790-A793 VanDerWaalsContact O-N 3.07Å |
| 791 | D | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -62.4 | -22 | 179.6 | -56.1 | -75.9 | 0 | 0 | 0 | 112.7 | W26 T31 R72 R75 F778 D789 | W26-D791 VanDerWaalsContact NE1-CG 3.32Å; W26-D791 PolarHBondContact NE1-OD1 3.31Å; W26-D791 PolarHBondContact NE1-OD2 3.43Å; T31-D791 HydrophobicContact CG2-CB 3.98Å; R72-D791 IonicContact CZ-OD1 2.77Å; R72-D791 IonicContact NH1-OD1 3.87Å; R72-D791 PolarHBondContact NH1-OD1 2.87Å; R75-D791 WeakPolarHBondContact CD-O 3.2Å; R75-D791 VanDerWaalsContact CG-O 3.31Å; R75-D791 WeakPolarHBondContact CG-O 3.22Å; F778-D791 WeakPolarHBondContact CD2-OD2 3.41Å; D789-D791 PolarHBondContact O-N 3.41Å; D789-D791 VanDerWaalsContact O-N 3.11Å |
| 792 | N | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -114.6 | 5.2 | 176.4 | -58.2 | -54.2 | 0 | 0 | 0 | 112.6 | D789 I790 | D789-N792 PolarHBondContact O-N 3.2Å; I790-N792 PolarHBondContact O-N 2.89Å; I790-N792 VanDerWaalsContact O-N 3.16Å |
| 793 | A | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -70.6 | 143 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M76 W781 D789 I790 | M76-A793 WeakPolarHBondContact CB-O 3.43Å; M76-A793 WeakPolarHBondContact CG-O 3.46Å; W781-A793 HydrophobicContact CH2-CB 4.29Å; W781-A793 HydrophobicContact CZ2-CB 3.8Å; D789-A793 PolarHBondContact O-N 2.94Å; I790-A793 HydrophobicContact CG1-CB 4.47Å; I790-A793 WeakPolarHBondContact O-CB 3.47Å; I790-A793 PolarHBondContact O-N 3.42Å; I790-A793 VanDerWaalsContact O-N 3.07Å |
| 794 | P | 98.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 139.9 | 179.1 | 27.9 | -34.5 | 0 | 0 | 0 | 110.9 | M76 R767 | M76-P794 CarbonylContact O-C 3.6Å; M76-P794 WeakPolarHBondContact O-CA 3.27Å; R767-P794 WeakPolarHBondContact CD-O 3.45Å; R767-P794 PolarHBondContact NH1-O 3.45Å |
| 795 | W | 98.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.3 | 171.4 | -173.3 | -101.9 | 0 | 0 | 0 | 110.1 | Y73 M76 L77 V720 T721 I724 R767 M768 P771 V797 | Y73-W795 AromaticContact CD2-CD2 3.75Å; Y73-W795 HydrophobicContact CD2-CD2 3.75Å; Y73-W795 AromaticContact CD2-CE2 3.86Å; Y73-W795 AromaticContact CD2-CE3 3.74Å; Y73-W795 HydrophobicContact CD2-CE3 3.74Å; Y73-W795 HydrophobicContact CD2-CG 4.48Å; Y73-W795 AromaticContact CD2-CH2 3.91Å; Y73-W795 HydrophobicContact CD2-CH2 3.91Å; Y73-W795 AromaticContact CD2-CZ2 3.94Å; Y73-W795 HydrophobicContact CD2-CZ2 3.94Å; Y73-W795 AromaticContact CD2-CZ3 3.83Å; Y73-W795 HydrophobicContact CD2-CZ3 3.83Å; Y73-W795 AromaticContact CE2-CD2 3.75Å; Y73-W795 HydrophobicContact CE2-CD2 3.75Å; Y73-W795 AromaticContact CE2-CE2 3.56Å; Y73-W795 HydrophobicContact CE2-CE3 4.23Å; Y73-W795 HydrophobicContact CE2-CG 4.18Å; Y73-W795 HydrophobicContact CE2-CH2 4.33Å; Y73-W795 AromaticContact CE2-CZ2 3.86Å; Y73-W795 HydrophobicContact CE2-CZ2 3.86Å; Y73-W795 AromaticContact CE2-NE1 3.83Å; M76-W795 HydrophobicContact CB-CB 4.07Å; M76-W795 HydrophobicContact CB-CE3 4.22Å; M76-W795 HydrophobicContact CE-CE3 4.11Å; M76-W795 PolarHBondContact O-N 2.64Å; M76-W795 HydrophobicContact SD-CE3 4.08Å; M76-W795 HydrophobicContact SD-CZ3 4.38Å; L77-W795 HydrophobicContact CD2-CB 3.78Å; L77-W795 HydrophobicContact CD2-CG 3.94Å; V720-W795 HydrophobicContact CG1-CH2 4.08Å; V720-W795 HydrophobicContact CG1-CZ2 3.92Å; T721-W795 PolarHBondContact OG1-NE1 3.24Å; I724-W795 HydrophobicContact CD1-CH2 3.77Å; I724-W795 HydrophobicContact CD1-CZ2 4.24Å; R767-W795 WeakPolarHBondContact O-CZ3 3.43Å; M768-W795 HydrophobicContact CB-CH2 4.35Å; M768-W795 HydrophobicContact CG-CH2 4.23Å; M768-W795 HydrophobicContact CG-CZ2 4.26Å; P771-W795 HydrophobicContact CG-CH2 4.48Å; P771-W795 HydrophobicContact CG-CZ3 3.86Å; W795-V797 PolarHBondContact O-N 3.21Å |
| 796 | P | 98.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 135.4 | 178.7 | 25.6 | -34.2 | 0 | 0 | 0 | 111 | I717 R767 M768 | I717-P796 HydrophobicContact CD1-CB 3.97Å; I717-P796 HydrophobicContact CG1-CB 4.1Å; I717-P796 HydrophobicContact CG1-CG 4.36Å; I717-P796 HydrophobicContact CG2-CB 4.05Å; I717-P796 HydrophobicContact CG2-CG 4.27Å; I717-P796 WeakPolarHBondContact CG2-O 3.41Å; R767-P796 HydrophobicContact CB-CG 4.37Å; M768-P796 HydrophobicContact CG-CG 3.85Å |
| 797 | V | 98.6 | Very high | 95 | Very high | 125 Ų | 125 | 64.1 Ų | 64.1 | 76% | 0.758 | 35% | 0.354 | S | S | * | . | trans | -106.7 | 135.6 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | W795 | W795-V797 PolarHBondContact O-N 3.21Š| ||
| 798 | A | 98.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | trans | -68.4 | 132.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | H714 I717 A718 E800 M803 | H714-A798 HydrophobicContact CB-CB 4.34Å; H714-A798 WeakPolarHBondContact O-CB 3.4Å; I717-A798 HydrophobicContact CB-CB 4.4Å; I717-A798 HydrophobicContact CG2-CB 4.19Å; A718-A798 HydrophobicContact CB-CB 4.04Å; A798-E800 PolarHBondContact O-N 2.81Å; A798-M803 HydrophobicContact CB-CE 3.84Å; A798-M803 HydrophobicContact CB-SD 3.98Å | ||
| 799 | D | 97.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | trans | -82.3 | 107.6 | 171 | 174.1 | 7.2 | 0 | 0 | 0 | 108 | R710 H714 K801 A802 M803 | R710-D799 IonicContact CZ-OD2 3.21Å; R710-D799 IonicContact NH1-OD2 3.72Å; R710-D799 PolarHBondContact NH1-OD2 3.45Å; R710-D799 VanDerWaalsContact NH1-OD2 3.1Å; R710-D799 IonicContact NH2-OD2 2.85Å; H714-D799 PolarHBondContact ND1-N 2.91Å; D799-K801 PolarHBondContact O-N 3.26Å; D799-K801 VanDerWaalsContact O-N 3.15Å; D799-K801 WeakPolarHBondContact OD1-CB 3.3Å; D799-K801 PolarHBondContact OD1-N 2.95Å; D799-A802 HydrophobicContact CB-CB 3.92Å; D799-A802 WeakPolarHBondContact O-CB 3.3Å; D799-A802 PolarHBondContact O-N 3.06Å; D799-M803 PolarHBondContact O-N 3.31Å | ||
| 800 | E | 95.8 | Very high | 94.2 | Very high | 140 Ų | 140 | 56.7 Ų | 56.7 | 65% | 0.654 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -53.6 | -33.9 | 179.7 | -71.5 | -63 | 156 | 0 | 0 | 112.5 | A798 M803 | A798-E800 PolarHBondContact O-N 2.81Å; E800-M803 VanDerWaalsContact CD-CE 3.43Å; E800-M803 HydrophobicContact CG-CE 4.43Å; E800-M803 PolarHBondContact O-N 3.38Å; E800-M803 WeakPolarHBondContact OE1-CE 3.27Å; E800-M803 VanDerWaalsContact OE2-CE 3.29Å; E800-M803 WeakPolarHBondContact OE2-CE 3.28Å |
| 801 | K | 94.9 | Very high | 94.1 | Very high | 176 Ų | 176 | 58.2 Ų | 58.2 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 177.5 | -66.3 | -178.7 | 177.6 | 177.9 | 0 | 112 | D799 M803 V804 | D799-K801 PolarHBondContact O-N 3.26Å; D799-K801 VanDerWaalsContact O-N 3.15Å; D799-K801 WeakPolarHBondContact OD1-CB 3.3Å; D799-K801 PolarHBondContact OD1-N 2.95Å; K801-M803 PolarHBondContact O-N 3.31Å; K801-V804 PolarHBondContact O-N 3.45Å |
| 802 | A | 95.1 | Very high | 94 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 12% | 0.116 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -25.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | R711 H714 D799 | R711-A802 VanDerWaalsContact CA-O 3.27Å; R711-A802 WeakPolarHBondContact CA-O 3.47Å; R711-A802 WeakPolarHBondContact CB-O 3.35Å; R711-A802 VanDerWaalsContact CG-O 3.27Å; R711-A802 WeakPolarHBondContact CG-O 3.38Å; H714-A802 HydrophobicContact CB-CB 4.2Å; H714-A802 WeakPolarHBondContact CD2-CB 3.42Å; D799-A802 HydrophobicContact CB-CB 3.92Å; D799-A802 WeakPolarHBondContact O-CB 3.3Å; D799-A802 PolarHBondContact O-N 3.06Å |
| 803 | M | 93.4 | Very high | 94 | Very high | 30 Ų | 30 | 55 Ų | 55 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.3 | -12.5 | -178.4 | -66.2 | -163.9 | -64.9 | 0 | 0 | 114 | H714 K715 A718 A798 D799 E800 K801 E805 | H714-M803 HydrophobicContact CB-CG 3.75Å; H714-M803 HydrophobicContact CB-SD 4.37Å; K715-M803 HydrophobicContact CG-CG 4.18Å; K715-M803 HydrophobicContact CG-SD 4.17Å; A718-M803 HydrophobicContact CB-SD 4.01Å; A798-M803 HydrophobicContact CB-CE 3.84Å; A798-M803 HydrophobicContact CB-SD 3.98Å; D799-M803 PolarHBondContact O-N 3.31Å; E800-M803 VanDerWaalsContact CD-CE 3.43Å; E800-M803 HydrophobicContact CG-CE 4.43Å; E800-M803 PolarHBondContact O-N 3.38Å; E800-M803 WeakPolarHBondContact OE1-CE 3.27Å; E800-M803 VanDerWaalsContact OE2-CE 3.29Å; E800-M803 WeakPolarHBondContact OE2-CE 3.28Å; K801-M803 PolarHBondContact O-N 3.31Å; M803-E805 PolarHBondContact O-N 3.12Å |
| 804 | V | 87.9 | Confident | 93.9 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | trans | -59.7 | 127.2 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | R711 K801 | R711-V804 PolarHBondContact NE-O 2.99Å; R711-V804 PolarHBondContact NH2-O 2.91Å; K801-V804 PolarHBondContact O-N 3.45Å | ||
| 805 | E | 82.8 | Confident | 93.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | trans | -93.1 | 121.3 | 175.4 | -66.8 | -108.6 | -145.8 | 0 | 0 | 108.8 | K715 M803 S807 V826 | K715-E805 VanDerWaalsContact NZ-CD 3.33Å; K715-E805 IonicContact NZ-OE1 3.86Å; K715-E805 PolarHBondContact NZ-OE1 2.95Å; M803-E805 PolarHBondContact O-N 3.12Å; E805-S807 PolarHBondContact O-N 2.93Å; E805-V826 WeakPolarHBondContact O-CB 3.45Å; E805-V826 WeakPolarHBondContact O-CG1 3.39Å | ||
| 806 | D | 81.1 | Confident | 93.6 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -75.6 | -19.4 | 173.1 | -52.2 | -63.5 | 0 | 0 | 0 | 111.3 | R711 V826 | R711-D806 IonicContact NH2-OD2 3.22Å; R711-D806 PolarHBondContact NH2-OD2 2.97Å; D806-V826 PolarHBondContact O-N 3.26Å |
| 807 | S | 85 | Confident | 93.5 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.2 | 179.9 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | E805 T823 V824 | E805-S807 PolarHBondContact O-N 2.93Å; S807-T823 VanDerWaalsContact OG-CG2 3.29Å; S807-T823 WeakPolarHBondContact OG-CG2 3.49Å; S807-V824 CarbonylContact C-O 3.49Å; S807-V824 WeakPolarHBondContact CA-O 3.49Å; S807-V824 VanDerWaalsContact CB-O 3.26Å; S807-V824 WeakPolarHBondContact CB-O 3.45Å |
| 808 | T | 88.8 | Confident | 93.4 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.8 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | V810 V824 G860 | T808-V810 HydrophobicContact CG2-CG2 4.35Å; T808-V824 HydrophobicContact CG2-CG2 3.94Å; T808-V824 PolarHBondContact N-O 3.43Å; T808-V824 PolarHBondContact O-N 3.26Å; T808-G860 VanDerWaalsContact CG2-CA 3.5Å; T808-G860 PolarHBondContact OG1-O 2.89Å |
| 809 | L | 91.7 | Very high | 93.3 | Very high | 93 Ų | 93 | 62 Ų | 62 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.9 | 176.4 | -172.8 | 99.4 | 0 | 0 | 0 | 110 | K821 | L809-K821 HydrophobicContact CD1-CB 4.25Å; L809-K821 HydrophobicContact CD2-CD 4.48Å |
| 810 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.3 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | T808 K821 I822 V824 V833 L863 | T808-V810 HydrophobicContact CG2-CG2 4.35Å; V810-K821 WeakPolarHBondContact O-CA 3.41Å; V810-I822 HydrophobicContact CB-CG1 4.05Å; V810-I822 PolarHBondContact N-O 3.33Å; V810-I822 PolarHBondContact O-N 2.98Å; V810-V824 HydrophobicContact CB-CG2 4.48Å; V810-V824 HydrophobicContact CG2-CG2 3.58Å; V810-V833 HydrophobicContact CB-CG1 4.3Å; V810-V833 HydrophobicContact CG1-CG1 3.82Å; V810-V833 HydrophobicContact CG2-CG1 4.28Å; V810-L863 HydrophobicContact CG1-CB 4.02Å |
| 811 | V | 97.2 | Very high | 93.3 | Very high | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.7 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | Q813 V818 K821 K861 L862 L863 | V811-Q813 HydrophobicContact CG1-CG 4.41Å; V811-V818 HydrophobicContact CG1-CB 4.38Å; V811-V818 HydrophobicContact CG1-CG1 3.8Å; V811-V818 HydrophobicContact CG1-CG2 3.74Å; V811-K821 HydrophobicContact CG2-CG 4.48Å; V811-K861 PolarHBondContact N-O 3.12Å; V811-L862 WeakPolarHBondContact O-CA 3.43Å; V811-L863 PolarHBondContact O-N 2.79Å |
| 812 | V | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.5 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | R819 A820 I822 A837 V843 L863 | V812-R819 PolarHBondContact O-N 3.04Å; V812-A820 HydrophobicContact CB-CB 4.17Å; V812-A820 HydrophobicContact CG2-CB 4.47Å; V812-A820 PolarHBondContact N-O 2.76Å; V812-A820 PolarHBondContact O-N 3.49Å; V812-I822 HydrophobicContact CG2-CD1 3.94Å; V812-I822 HydrophobicContact CG2-CG1 3.89Å; V812-I822 HydrophobicContact CG2-CG2 4.35Å; V812-A837 HydrophobicContact CB-CB 4.48Å; V812-A837 HydrophobicContact CG1-CB 3.88Å; V812-A837 HydrophobicContact CG2-CB 3.75Å; V812-V843 HydrophobicContact CB-CG2 4.22Å; V812-V843 HydrophobicContact CG1-CG1 4.2Å; V812-V843 HydrophobicContact CG1-CG2 3.65Å; V812-L863 CarbonylContact C-O 3.56Å; V812-L863 VanDerWaalsContact CA-O 3.31Å; V812-L863 WeakPolarHBondContact CA-O 3.41Å; V812-L863 HydrophobicContact CG1-CD2 4.37Å |
| 813 | Q | 97.9 | Very high | 93.2 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.8 | 178.2 | -63.1 | 179.9 | -14.1 | 0 | 0 | 111.3 | V811 K817 V818 L863 N864 L865 | V811-Q813 HydrophobicContact CG1-CG 4.41Å; Q813-K817 CarbonylContact C-O 3.44Å; Q813-K817 VanDerWaalsContact CA-O 3.22Å; Q813-K817 WeakPolarHBondContact CA-O 3.49Å; Q813-V818 HydrophobicContact CG-CG2 3.97Å; Q813-L863 PolarHBondContact N-O 2.58Å; Q813-N864 HydrophobicContact CB-CB 3.97Å; Q813-N864 WeakPolarHBondContact CB-OD1 3.39Å; Q813-N864 WeakPolarHBondContact O-CA 3.46Å; Q813-L865 PolarHBondContact O-N 3.35Å |
| 814 | V | 96.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.3 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | G816 K817 R819 V843 L847 L865 V867 | V814-G816 VanDerWaalsContact C-N 3.27Å; V814-G816 PolarHBondContact O-N 2.66Å; V814-K817 PolarHBondContact N-O 3.38Å; V814-K817 PolarHBondContact O-N 3.25Å; V814-R819 HydrophobicContact CB-CG 3.93Å; V814-R819 HydrophobicContact CG2-CB 4.46Å; V814-R819 HydrophobicContact CG2-CG 3.77Å; V814-V843 HydrophobicContact CG2-CG1 4.13Å; V814-L847 HydrophobicContact CG1-CD2 4.46Å; V814-L847 HydrophobicContact CG2-CD2 4.43Å; V814-L865 WeakPolarHBondContact CA-O 3.37Å; V814-L865 HydrophobicContact CG2-CB 4.41Å; V814-V867 HydrophobicContact CG1-CG1 4.15Å; V814-V867 HydrophobicContact CG1-CG2 3.57Å |
| 815 | N | 95.5 | Very high | 93.3 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 46.7 | -171.1 | -72.1 | -20.5 | 0 | 0 | 0 | 112.8 | K817 L865 V866 V867 | N815-K817 PolarHBondContact O-N 3.26Å; N815-L865 PolarHBondContact N-O 3.12Å; N815-V866 WeakPolarHBondContact OD1-CA 3.22Å; N815-V867 VanDerWaalsContact ND2-CG2 3.3Å; N815-V867 WeakPolarHBondContact ND2-CG2 3.46Å; N815-V867 PolarHBondContact ND2-O 3.07Å; N815-V867 PolarHBondContact OD1-N 3.28Å; N815-V867 PolarHBondContact OD1-O 3.35Å |
| 816 | G | 94.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -3.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V814 N864 | V814-G816 VanDerWaalsContact C-N 3.27Å; V814-G816 PolarHBondContact O-N 2.66Å; G816-N864 PolarHBondContact N-OD1 2.93Å |
| 817 | K | 96.5 | Very high | 93.9 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128 | 176 | -66.8 | -174.7 | 178 | -178.7 | 0 | 110.4 | Q813 V814 N815 R819 | Q813-K817 CarbonylContact C-O 3.44Å; Q813-K817 VanDerWaalsContact CA-O 3.22Å; Q813-K817 WeakPolarHBondContact CA-O 3.49Å; V814-K817 PolarHBondContact N-O 3.38Å; V814-K817 PolarHBondContact O-N 3.25Å; N815-K817 PolarHBondContact O-N 3.26Å; K817-R819 PolarHBondContact O-N 2.87Å |
| 818 | V | 97.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128.6 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | V811 Q813 | V811-V818 HydrophobicContact CG1-CB 4.38Å; V811-V818 HydrophobicContact CG1-CG1 3.8Å; V811-V818 HydrophobicContact CG1-CG2 3.74Å; Q813-V818 HydrophobicContact CG-CG2 3.97Å |
| 819 | R | 96.5 | Very high | 94.5 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -33.3 | 179.7 | -61.3 | -51.6 | 175.4 | -164 | 7 | 113.2 | V812 V814 K817 L842 V843 Y846 | V812-R819 PolarHBondContact O-N 3.04Å; V814-R819 HydrophobicContact CB-CG 3.93Å; V814-R819 HydrophobicContact CG2-CB 4.46Å; V814-R819 HydrophobicContact CG2-CG 3.77Å; K817-R819 PolarHBondContact O-N 2.87Å; R819-L842 WeakPolarHBondContact O-CB 3.43Å; R819-L842 VanDerWaalsContact O-CD1 3.32Å; R819-L842 WeakPolarHBondContact O-CD1 3.45Å; R819-V843 HydrophobicContact CB-CG2 3.93Å; R819-Y846 HydrophobicContact CG-CD2 4.24Å; R819-Y846 VanDerWaalsContact CZ-CZ 3.43Å |
| 820 | A | 96.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 167.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V812 E840 V843 | V812-A820 HydrophobicContact CB-CB 4.17Å; V812-A820 HydrophobicContact CG2-CB 4.47Å; V812-A820 PolarHBondContact N-O 2.76Å; V812-A820 PolarHBondContact O-N 3.49Å; A820-E840 HydrophobicContact CB-CB 3.91Å; A820-E840 HydrophobicContact CB-CG 3.81Å; A820-V843 HydrophobicContact CB-CG2 3.73Å |
| 821 | K | 96.5 | Very high | 94.6 | Very high | 143 Ų | 143 | 60.9 Ų | 60.9 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 118.2 | 166.6 | -63 | 178.6 | 180 | -179.6 | 0 | 106 | L809 V810 V811 | L809-K821 HydrophobicContact CD1-CB 4.25Å; L809-K821 HydrophobicContact CD2-CD 4.48Å; V810-K821 WeakPolarHBondContact O-CA 3.41Å; V811-K821 HydrophobicContact CG2-CG 4.48Å |
| 822 | I | 95 | Very high | 94.5 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.1 | -177.1 | 61.5 | 174.9 | 0 | 0 | 0 | 110 | V810 V812 V824 V833 R836 A837 E840 | V810-I822 HydrophobicContact CB-CG1 4.05Å; V810-I822 PolarHBondContact N-O 3.33Å; V810-I822 PolarHBondContact O-N 2.98Å; V812-I822 HydrophobicContact CG2-CD1 3.94Å; V812-I822 HydrophobicContact CG2-CG1 3.89Å; V812-I822 HydrophobicContact CG2-CG2 4.35Å; I822-V824 HydrophobicContact CD1-CG1 3.84Å; I822-V824 HydrophobicContact CG1-CG1 4.06Å; I822-V833 HydrophobicContact CD1-CG1 4.14Å; I822-R836 HydrophobicContact CD1-CB 4.13Å; I822-R836 HydrophobicContact CD1-CG 4.12Å; I822-A837 HydrophobicContact CD1-CB 3.9Å; I822-E840 HydrophobicContact CG2-CG 3.52Å |
| 823 | T | 93.1 | Very high | 94.4 | Very high | 90 Ų | 90 | 64.3 Ų | 64.3 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.6 | 172.4 | -53.2 | 0 | 0 | 0 | 0 | 108.1 | S807 | S807-T823 VanDerWaalsContact OG-CG2 3.29Å; S807-T823 WeakPolarHBondContact OG-CG2 3.49Å |
| 824 | V | 92.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.9 | -177.7 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | S807 T808 V810 I822 A828 V833 R836 | S807-V824 CarbonylContact C-O 3.49Å; S807-V824 WeakPolarHBondContact CA-O 3.49Å; S807-V824 VanDerWaalsContact CB-O 3.26Å; S807-V824 WeakPolarHBondContact CB-O 3.45Å; T808-V824 HydrophobicContact CG2-CG2 3.94Å; T808-V824 PolarHBondContact N-O 3.43Å; T808-V824 PolarHBondContact O-N 3.26Å; V810-V824 HydrophobicContact CB-CG2 4.48Å; V810-V824 HydrophobicContact CG2-CG2 3.58Å; I822-V824 HydrophobicContact CD1-CG1 3.84Å; I822-V824 HydrophobicContact CG1-CG1 4.06Å; V824-A828 HydrophobicContact CB-CB 3.94Å; V824-A828 HydrophobicContact CG2-CB 4.1Å; V824-V833 HydrophobicContact CB-CG2 4.36Å; V824-V833 HydrophobicContact CG1-CG2 4.28Å; V824-V833 HydrophobicContact CG2-CG2 3.99Å; V824-R836 HydrophobicContact CG1-CB 4.5Å; V824-R836 HydrophobicContact CG1-CG 4.3Å |
| 825 | P | 90.6 | Very high | 94 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 147.2 | 171.2 | -27.7 | 35.6 | 0 | 0 | 0 | 112.5 | D827 A828 | P825-D827 VanDerWaalsContact CB-OD1 3.28Å; P825-D827 WeakPolarHBondContact CB-OD1 3.38Å; P825-D827 PolarHBondContact O-N 3.42Å; P825-A828 HydrophobicContact CB-CB 4.31Å; P825-A828 WeakPolarHBondContact O-CB 3.49Å; P825-A828 PolarHBondContact O-N 3.2Å |
| 826 | V | 86.2 | Confident | 93.9 | Very high | 87 Ų | 87 | 75.5 Ų | 75.5 | 53% | 0.527 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.2 | -177.4 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | E805 D806 | E805-V826 WeakPolarHBondContact O-CB 3.45Å; E805-V826 WeakPolarHBondContact O-CG1 3.39Å; D806-V826 PolarHBondContact O-N 3.26Å |
| 827 | D | 90 | Very high | 94 | Very high | 128 Ų | 128 | 73.5 Ų | 73.5 | 68% | 0.684 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11 | 178.5 | 62.8 | -21.4 | 0 | 0 | 0 | 113.2 | P825 T829 | P825-D827 VanDerWaalsContact CB-OD1 3.28Å; P825-D827 WeakPolarHBondContact CB-OD1 3.38Å; P825-D827 PolarHBondContact O-N 3.42Å; D827-T829 PolarHBondContact O-N 2.87Å |
| 828 | A | 92.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | trans | -62.3 | 126.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V824 P825 Q832 V833 Y857 | V824-A828 HydrophobicContact CB-CB 3.94Å; V824-A828 HydrophobicContact CG2-CB 4.1Å; P825-A828 HydrophobicContact CB-CB 4.31Å; P825-A828 WeakPolarHBondContact O-CB 3.49Å; P825-A828 PolarHBondContact O-N 3.2Å; A828-Q832 VanDerWaalsContact CA-OE1 3.24Å; A828-Q832 HydrophobicContact CB-CB 4.42Å; A828-V833 HydrophobicContact CB-CG2 3.8Å; A828-Y857 PolarHBondContact O-OH 2.86Å | ||
| 829 | T | 94.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 70.3 Ų | 70.3 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | trans | -70.8 | 162.6 | 178.6 | 80.2 | 0 | 0 | 0 | 0 | 111.6 | D827 E831 Q832 V833 | D827-T829 PolarHBondContact O-N 2.87Å; T829-E831 WeakPolarHBondContact CB-OE2 3.36Å; T829-E831 PolarHBondContact O-N 2.84Å; T829-E831 PolarHBondContact OG1-N 3Å; T829-E831 PolarHBondContact OG1-OE2 3.17Å; T829-Q832 PolarHBondContact O-N 2.87Å; T829-Q832 VanDerWaalsContact O-N 3.15Å; T829-Q832 PolarHBondContact OG1-N 2.95Å; T829-V833 WeakPolarHBondContact O-CG2 3.42Å; T829-V833 PolarHBondContact O-N 3.43Å | ||
| 830 | E | 95.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.4 | -43.3 | 175.4 | -178.8 | -176.4 | 151.8 | 0 | 0 | 111.2 | V833 R834 Y857 | E830-V833 PolarHBondContact O-N 2.72Å; E830-R834 HydrophobicContact CG-CG 4.34Å; E830-R834 WeakPolarHBondContact O-CB 3.29Å; E830-R834 WeakPolarHBondContact O-CG 3.32Å; E830-R834 PolarHBondContact O-N 3.08Å; E830-R834 IonicContact OE1-CZ 3.35Å; E830-R834 IonicContact OE1-NE 2.95Å; E830-R834 PolarHBondContact OE1-NE 3.32Å; E830-R834 IonicContact OE1-NH2 2.9Å; E830-R834 PolarHBondContact OE1-NH2 3.34Å; E830-Y857 HydrophobicContact CB-CD1 3.67Å; E830-Y857 HydrophobicContact CB-CE1 4Å; E830-Y857 HydrophobicContact CB-CG 4.12Å; E830-Y857 HydrophobicContact CG-CD1 3.94Å; E830-Y857 HydrophobicContact CG-CG 3.88Å |
| 831 | E | 94.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.7 | -46.2 | -179.2 | -62.4 | 76 | -165.6 | 0 | 0 | 111.7 | T829 V833 R834 E835 | T829-E831 WeakPolarHBondContact CB-OE2 3.36Å; T829-E831 PolarHBondContact O-N 2.84Å; T829-E831 PolarHBondContact OG1-N 3Å; T829-E831 PolarHBondContact OG1-OE2 3.17Å; E831-V833 VanDerWaalsContact C-N 3.34Å; E831-V833 PolarHBondContact O-N 3.14Å; E831-R834 PolarHBondContact O-N 2.97Å; E831-E835 WeakPolarHBondContact O-CB 3.41Å; E831-E835 PolarHBondContact O-N 3.11Å |
| 832 | Q | 94.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 73.4 Ų | 73.4 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.6 | -68.8 | 173.1 | -31.8 | 0 | 0 | 111.2 | A828 T829 R836 | A828-Q832 VanDerWaalsContact CA-OE1 3.24Å; A828-Q832 HydrophobicContact CB-CB 4.42Å; T829-Q832 PolarHBondContact O-N 2.87Å; T829-Q832 VanDerWaalsContact O-N 3.15Å; T829-Q832 PolarHBondContact OG1-N 2.95Å; Q832-R836 WeakPolarHBondContact O-CB 3.18Å; Q832-R836 PolarHBondContact O-N 3.48Å |
| 833 | V | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | V810 I822 V824 A828 T829 E830 E831 R836 A837 Y857 L863 | V810-V833 HydrophobicContact CB-CG1 4.3Å; V810-V833 HydrophobicContact CG1-CG1 3.82Å; V810-V833 HydrophobicContact CG2-CG1 4.28Å; I822-V833 HydrophobicContact CD1-CG1 4.14Å; V824-V833 HydrophobicContact CB-CG2 4.36Å; V824-V833 HydrophobicContact CG1-CG2 4.28Å; V824-V833 HydrophobicContact CG2-CG2 3.99Å; A828-V833 HydrophobicContact CB-CG2 3.8Å; T829-V833 WeakPolarHBondContact O-CG2 3.42Å; T829-V833 PolarHBondContact O-N 3.43Å; E830-V833 PolarHBondContact O-N 2.72Å; E831-V833 VanDerWaalsContact C-N 3.34Å; E831-V833 PolarHBondContact O-N 3.14Å; V833-R836 PolarHBondContact O-N 3.36Å; V833-A837 WeakPolarHBondContact O-CB 2.96Å; V833-A837 PolarHBondContact O-N 2.95Å; V833-Y857 HydrophobicContact CB-CE2 4.07Å; V833-Y857 HydrophobicContact CG1-CE2 3.97Å; V833-Y857 HydrophobicContact CG2-CE2 4.01Å; V833-L863 HydrophobicContact CG1-CB 4.36Å; V833-L863 HydrophobicContact CG1-CD2 4.26Å |
| 834 | R | 93.7 | Very high | 93.1 | Very high | 104 Ų | 104 | 70.2 Ų | 70.2 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 176.3 | -84.9 | -174.7 | 177.5 | -153.7 | 20.8 | 112.6 | E830 E831 R836 A837 G838 L863 | E830-R834 HydrophobicContact CG-CG 4.34Å; E830-R834 WeakPolarHBondContact O-CB 3.29Å; E830-R834 WeakPolarHBondContact O-CG 3.32Å; E830-R834 PolarHBondContact O-N 3.08Å; E830-R834 IonicContact OE1-CZ 3.35Å; E830-R834 IonicContact OE1-NE 2.95Å; E830-R834 PolarHBondContact OE1-NE 3.32Å; E830-R834 IonicContact OE1-NH2 2.9Å; E830-R834 PolarHBondContact OE1-NH2 3.34Å; E831-R834 PolarHBondContact O-N 2.97Å; R834-R836 VanDerWaalsContact C-N 3.29Å; R834-R836 PolarHBondContact O-N 2.92Å; R834-A837 PolarHBondContact O-N 3.32Å; R834-G838 PolarHBondContact O-N 2.92Å; R834-L863 HydrophobicContact CG-CD1 3.96Å; R834-L863 HydrophobicContact CG-CD2 4.09Å |
| 835 | E | 93.5 | Very high | 93.1 | Very high | 136 Ų | 136 | 76.8 Ų | 76.8 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 179.3 | -176.3 | 177 | -169 | 0 | 0 | 109.8 | E831 A837 G838 Q839 | E831-E835 WeakPolarHBondContact O-CB 3.41Å; E831-E835 PolarHBondContact O-N 3.11Å; E835-A837 PolarHBondContact O-N 2.89Å; E835-G838 PolarHBondContact O-N 2.87Å; E835-Q839 WeakPolarHBondContact O-CG 3.31Å; E835-Q839 PolarHBondContact O-N 3.18Å |
| 836 | R | 94 | Very high | 93.2 | Very high | 126 Ų | 126 | 77.9 Ų | 77.9 | 48% | 0.475 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 177.4 | -168.7 | 58 | 173.4 | 165.6 | 1.5 | 112.3 | I822 V824 Q832 V833 R834 G838 Q839 | I822-R836 HydrophobicContact CD1-CB 4.13Å; I822-R836 HydrophobicContact CD1-CG 4.12Å; V824-R836 HydrophobicContact CG1-CB 4.5Å; V824-R836 HydrophobicContact CG1-CG 4.3Å; Q832-R836 WeakPolarHBondContact O-CB 3.18Å; Q832-R836 PolarHBondContact O-N 3.48Å; V833-R836 PolarHBondContact O-N 3.36Å; R834-R836 VanDerWaalsContact C-N 3.29Å; R834-R836 PolarHBondContact O-N 2.92Å; R836-G838 VanDerWaalsContact C-N 3.3Å; R836-G838 PolarHBondContact O-N 3.24Å; R836-Q839 WeakPolarHBondContact O-CB 3.46Å; R836-Q839 PolarHBondContact O-N 2.79Å |
| 837 | A | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V812 I822 V833 R834 E835 Q839 E840 V843 L863 | V812-A837 HydrophobicContact CB-CB 4.48Å; V812-A837 HydrophobicContact CG1-CB 3.88Å; V812-A837 HydrophobicContact CG2-CB 3.75Å; I822-A837 HydrophobicContact CD1-CB 3.9Å; V833-A837 WeakPolarHBondContact O-CB 2.96Å; V833-A837 PolarHBondContact O-N 2.95Å; R834-A837 PolarHBondContact O-N 3.32Å; E835-A837 PolarHBondContact O-N 2.89Å; A837-Q839 VanDerWaalsContact C-N 3.26Å; A837-Q839 PolarHBondContact O-N 3.43Å; A837-E840 WeakPolarHBondContact O-CB 3.48Å; A837-E840 PolarHBondContact O-N 3.2Å; A837-V843 WeakPolarHBondContact O-CB 3.27Å; A837-L863 HydrophobicContact CB-CD2 3.48Å; A837-L863 VanDerWaalsContact CB-CD2 3.48Å |
| 838 | G | 90.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 75.6 Ų | 75.6 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.7 | -21.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | R834 E835 R836 E840 | R834-G838 PolarHBondContact O-N 2.92Å; E835-G838 PolarHBondContact O-N 2.87Å; R836-G838 VanDerWaalsContact C-N 3.3Å; R836-G838 PolarHBondContact O-N 3.24Å; G838-E840 VanDerWaalsContact C-N 3.25Å; G838-E840 PolarHBondContact O-N 3.33Å |
| 839 | Q | 93.4 | Very high | 93.4 | Very high | 110 Ų | 110 | 79.5 Ų | 79.5 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.4 | 175.1 | -64.9 | 168.2 | 1.1 | 0 | 0 | 112.6 | E835 R836 A837 H841 | E835-Q839 WeakPolarHBondContact O-CG 3.31Å; E835-Q839 PolarHBondContact O-N 3.18Å; R836-Q839 WeakPolarHBondContact O-CB 3.46Å; R836-Q839 PolarHBondContact O-N 2.79Å; A837-Q839 VanDerWaalsContact C-N 3.26Å; A837-Q839 PolarHBondContact O-N 3.43Å; Q839-H841 PolarHBondContact O-N 3.44Å |
| 840 | E | 94.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 79.4 Ų | 79.4 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.5 | 119.3 | 177.7 | -65.9 | -62 | 135.2 | 0 | 0 | 110.9 | A820 I822 A837 G838 L842 V843 A844 | A820-E840 HydrophobicContact CB-CB 3.91Å; A820-E840 HydrophobicContact CB-CG 3.81Å; I822-E840 HydrophobicContact CG2-CG 3.52Å; A837-E840 WeakPolarHBondContact O-CB 3.48Å; A837-E840 PolarHBondContact O-N 3.2Å; G838-E840 VanDerWaalsContact C-N 3.25Å; G838-E840 PolarHBondContact O-N 3.33Å; E840-L842 PolarHBondContact O-N 2.71Å; E840-L842 VanDerWaalsContact O-N 3.13Å; E840-V843 HydrophobicContact CB-CB 4.13Å; E840-V843 HydrophobicContact CB-CG2 3.77Å; E840-V843 WeakPolarHBondContact O-CA 3.48Å; E840-V843 WeakPolarHBondContact O-CB 3.39Å; E840-V843 PolarHBondContact O-N 2.64Å; E840-A844 PolarHBondContact O-N 3.43Å |
| 841 | H | 93.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 81.5 Ų | 81.5 | 63% | 0.625 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.6 | -35.1 | -175.5 | 90.5 | -87.1 | 0 | 0 | 0 | 113.2 | Q839 V843 K845 | Q839-H841 PolarHBondContact O-N 3.44Å; H841-V843 PolarHBondContact O-N 3.33Å; H841-K845 WeakPolarHBondContact O-CB 3.41Å; H841-K845 PolarHBondContact O-N 3.46Å |
| 842 | L | 93.5 | Very high | 93.1 | Very high | 78 Ų | 78 | 78 Ų | 78 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.6 | -21.2 | 178 | -71.1 | 177.4 | 0 | 0 | 0 | 112.7 | R819 E840 Y846 | R819-L842 WeakPolarHBondContact O-CB 3.43Å; R819-L842 VanDerWaalsContact O-CD1 3.32Å; R819-L842 WeakPolarHBondContact O-CD1 3.45Å; E840-L842 PolarHBondContact O-N 2.71Å; E840-L842 VanDerWaalsContact O-N 3.13Å; L842-Y846 VanDerWaalsContact O-CD2 3.22Å; L842-Y846 WeakPolarHBondContact O-CD2 3.42Å |
| 843 | V | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -85.4 | -52.6 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | V812 V814 R819 A820 A837 E840 H841 K845 Y846 L847 L865 | V812-V843 HydrophobicContact CB-CG2 4.22Å; V812-V843 HydrophobicContact CG1-CG1 4.2Å; V812-V843 HydrophobicContact CG1-CG2 3.65Å; V814-V843 HydrophobicContact CG2-CG1 4.13Å; R819-V843 HydrophobicContact CB-CG2 3.93Å; A820-V843 HydrophobicContact CB-CG2 3.73Å; A837-V843 WeakPolarHBondContact O-CB 3.27Å; E840-V843 HydrophobicContact CB-CB 4.13Å; E840-V843 HydrophobicContact CB-CG2 3.77Å; E840-V843 WeakPolarHBondContact O-CA 3.48Å; E840-V843 WeakPolarHBondContact O-CB 3.39Å; E840-V843 PolarHBondContact O-N 2.64Å; H841-V843 PolarHBondContact O-N 3.33Å; V843-K845 VanDerWaalsContact C-N 3.27Å; V843-K845 PolarHBondContact O-N 3.41Å; V843-Y846 PolarHBondContact O-N 3.29Å; V843-L847 HydrophobicContact CG1-CD1 3.82Å; V843-L847 HydrophobicContact CG1-CG 4.2Å; V843-L847 WeakPolarHBondContact O-CG 3.49Å; V843-L847 PolarHBondContact O-N 3.31Å; V843-L865 HydrophobicContact CG1-CD1 3.87Å |
| 844 | A | 92.3 | Very high | 93 | Very high | 28 Ų | 28 | 88 Ų | 88 | 23% | 0.231 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -51.5 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E840 Y846 L847 D848 | E840-A844 PolarHBondContact O-N 3.43Å; A844-Y846 PolarHBondContact O-N 2.96Å; A844-L847 CarbonylContact O-C 3.55Å; A844-L847 WeakPolarHBondContact O-CA 3.4Å; A844-L847 PolarHBondContact O-N 3Å; A844-D848 PolarHBondContact O-N 3.32Å |
| 845 | K | 93.3 | Very high | 93.1 | Very high | 144 Ų | 144 | 84.1 Ų | 84.1 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.2 | 176 | -179.4 | 179.1 | 178.8 | 179.8 | 0 | 114.3 | H841 V843 | H841-K845 WeakPolarHBondContact O-CB 3.41Å; H841-K845 PolarHBondContact O-N 3.46Å; V843-K845 VanDerWaalsContact C-N 3.27Å; V843-K845 PolarHBondContact O-N 3.41Å |
| 846 | Y | 93.5 | Very high | 93.2 | Very high | 96 Ų | 96 | 80.9 Ų | 80.9 | 38% | 0.376 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.8 | 178.1 | -68.7 | -89.1 | 0 | 0 | 0 | 113.2 | R819 L842 V843 A844 V850 | R819-Y846 HydrophobicContact CG-CD2 4.24Å; R819-Y846 VanDerWaalsContact CZ-CZ 3.43Å; L842-Y846 VanDerWaalsContact O-CD2 3.22Å; L842-Y846 WeakPolarHBondContact O-CD2 3.42Å; V843-Y846 PolarHBondContact O-N 3.29Å; A844-Y846 PolarHBondContact O-N 2.96Å; Y846-V850 VanDerWaalsContact O-CG2 3.24Å; Y846-V850 WeakPolarHBondContact O-CG2 3.11Å |
| 847 | L | 91.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 77.1 Ų | 77.1 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -22.4 | 172.8 | -59.1 | -175.1 | 0 | 0 | 0 | 112.1 | V814 V843 A844 G849 V850 V852 L865 V867 | V814-L847 HydrophobicContact CG1-CD2 4.46Å; V814-L847 HydrophobicContact CG2-CD2 4.43Å; V843-L847 HydrophobicContact CG1-CD1 3.82Å; V843-L847 HydrophobicContact CG1-CG 4.2Å; V843-L847 WeakPolarHBondContact O-CG 3.49Å; V843-L847 PolarHBondContact O-N 3.31Å; A844-L847 CarbonylContact O-C 3.55Å; A844-L847 WeakPolarHBondContact O-CA 3.4Å; A844-L847 PolarHBondContact O-N 3Å; L847-G849 PolarHBondContact O-N 3Å; L847-V850 VanDerWaalsContact O-CG2 3.31Å; L847-V850 WeakPolarHBondContact O-CG2 3.31Å; L847-V850 PolarHBondContact O-N 3.32Å; L847-V852 HydrophobicContact CD2-CG2 4.22Å; L847-L865 HydrophobicContact CD1-CD1 3.8Å; L847-L865 HydrophobicContact CD2-CB 4.35Å; L847-L865 HydrophobicContact CD2-CD1 3.94Å; L847-L865 HydrophobicContact CG-CD1 4.4Å; L847-V867 HydrophobicContact CD2-CG1 3.49Å; L847-V867 VanDerWaalsContact CD2-CG1 3.49Å |
| 848 | D | 91.3 | Very high | 93.4 | Very high | 128 Ų | 128 | 80.1 Ų | 80.1 | 68% | 0.684 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 120.6 | 177.9 | -76.7 | -12.1 | 0 | 0 | 0 | 111.7 | A844 V850 | A844-D848 PolarHBondContact O-N 3.32Å; D848-V850 VanDerWaalsContact C-N 3.3Å; D848-V850 PolarHBondContact O-N 2.9Å |
| 849 | G | 89.6 | Confident | 93.5 | Very high | 89 Ų | 89 | 83.3 Ų | 83.3 | 92% | 0.918 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 9.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | L847 | L847-G849 PolarHBondContact O-N 3Š|
| 850 | V | 92.9 | Very high | 93.3 | Very high | 62 Ų | 62 | 79 Ų | 79 | 38% | 0.376 | 42% | 0.424 | S | S | . | . | trans | -126.2 | 155.2 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | Y846 L847 D848 V867 | Y846-V850 VanDerWaalsContact O-CG2 3.24Å; Y846-V850 WeakPolarHBondContact O-CG2 3.11Å; L847-V850 VanDerWaalsContact O-CG2 3.31Å; L847-V850 WeakPolarHBondContact O-CG2 3.31Å; L847-V850 PolarHBondContact O-N 3.32Å; D848-V850 VanDerWaalsContact C-N 3.3Å; D848-V850 PolarHBondContact O-N 2.9Å; V850-V867 HydrophobicContact CB-CB 4.27Å; V850-V867 HydrophobicContact CG2-CB 3.78Å; V850-V867 HydrophobicContact CG2-CG1 4.04Å; V850-V867 HydrophobicContact CG2-CG2 4.09Å | ||
| 851 | T | 91 | Very high | 93.2 | Very high | 105 Ų | 105 | 83 Ų | 83 | 64% | 0.644 | 44% | 0.44 | S | S | * | . | trans | -98.9 | 138.3 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | R853 V867 G868 | T851-R853 PolarHBondContact O-N 3.27Å; T851-V867 WeakPolarHBondContact O-CA 3.5Å; T851-G868 PolarHBondContact O-N 3.46Å | ||
| 852 | V | 93.6 | Very high | 93.4 | Very high | 55 Ų | 55 | 78.3 Ų | 78.3 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 107.1 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | L847 V855 L865 V866 V867 | L847-V852 HydrophobicContact CD2-CG2 4.22Å; V852-V855 HydrophobicContact CG1-CG2 3.43Å; V852-V855 VanDerWaalsContact CG1-CG2 3.43Å; V852-L865 HydrophobicContact CG1-CD2 4.49Å; V852-V866 CarbonylContact C-O 3.56Å; V852-V867 HydrophobicContact CG2-CG1 4.09Å |
| 853 | R | 94 | Very high | 93.6 | Very high | 182 Ų | 182 | 74.6 Ų | 74.6 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -37.8 | -179.9 | -64.1 | -168.9 | 176.9 | -160.3 | 4.5 | 112.4 | T851 V866 G868 | T851-R853 PolarHBondContact O-N 3.27Å; R853-V866 PolarHBondContact N-O 2.91Å; R853-G868 PolarHBondContact NE-O 3.11Å; R853-G868 PolarHBondContact NH2-O 2.97Å; R853-G868 PolarHBondContact NH2-OXT 3.49Å |
| 854 | K | 94.3 | Very high | 93.7 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 150.8 | -179 | 179.5 | 175.7 | 178.5 | -179.4 | 0 | 109.3 | V866 | K854-V866 HydrophobicContact CB-CB 4.2Å; K854-V866 HydrophobicContact CB-CG2 4.45Å; K854-V866 PolarHBondContact N-O 3.31Å; K854-V866 WeakPolarHBondContact O-CB 3.34Å; K854-V866 PolarHBondContact O-N 3.23Å |
| 855 | V | 96.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.2 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | V852 L863 N864 L865 | V852-V855 HydrophobicContact CG1-CG2 3.43Å; V852-V855 VanDerWaalsContact CG1-CG2 3.43Å; V855-L863 HydrophobicContact CG1-CD1 3.41Å; V855-L863 VanDerWaalsContact CG1-CD1 3.41Å; V855-N864 WeakPolarHBondContact CA-O 3.42Å; V855-L865 HydrophobicContact CB-CD2 4.4Å; V855-L865 HydrophobicContact CG1-CD2 4.08Å; V855-L865 HydrophobicContact CG2-CD2 3.51Å |
| 856 | I | 95.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 35% | 0.354 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.5 | 171.4 | -59.6 | 174.6 | 0 | 0 | 0 | 106 | N864 | I856-N864 HydrophobicContact CB-CB 4.32Å; I856-N864 PolarHBondContact N-O 3.24Å; I856-N864 PolarHBondContact O-N 2.87Å |
| 857 | Y | 96.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 65.9 Ų | 65.9 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.2 | 176.1 | 178.3 | -119.7 | 0 | 0 | 0 | 109.1 | A828 E830 V833 P859 L863 | A828-Y857 PolarHBondContact O-OH 2.86Å; E830-Y857 HydrophobicContact CB-CD1 3.67Å; E830-Y857 HydrophobicContact CB-CE1 4Å; E830-Y857 HydrophobicContact CB-CG 4.12Å; E830-Y857 HydrophobicContact CG-CD1 3.94Å; E830-Y857 HydrophobicContact CG-CG 3.88Å; V833-Y857 HydrophobicContact CB-CE2 4.07Å; V833-Y857 HydrophobicContact CG1-CE2 3.97Å; V833-Y857 HydrophobicContact CG2-CE2 4.01Å; Y857-P859 HydrophobicContact CD1-CG 4.18Å; Y857-P859 HydrophobicContact CE1-CB 4.1Å; Y857-P859 HydrophobicContact CE1-CG 3.84Å; Y857-L863 HydrophobicContact CD2-CB 4.5Å; Y857-L863 HydrophobicContact CD2-CD1 4.09Å |
| 858 | V | 95.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 107.1 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | G860 K861 L862 | V858-G860 PolarHBondContact O-N 3.2Å; V858-K861 HydrophobicContact CB-CB 4.42Å; V858-K861 HydrophobicContact CG1-CB 4.05Å; V858-K861 HydrophobicContact CG1-CD 4.38Å; V858-K861 PolarHBondContact O-N 2.98Å; V858-L862 HydrophobicContact CB-CB 4.17Å; V858-L862 HydrophobicContact CG2-CB 4.38Å; V858-L862 HydrophobicContact CG2-CD2 4.31Å; V858-L862 PolarHBondContact N-O 3.34Å; V858-L862 PolarHBondContact O-N 3Å |
| 859 | P | 92.8 | Very high | 93.9 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | 128.8 | -175.4 | -32 | 36.1 | 0 | 0 | 0 | 113.1 | Y857 K861 | Y857-P859 HydrophobicContact CD1-CG 4.18Å; Y857-P859 HydrophobicContact CE1-CB 4.1Å; Y857-P859 HydrophobicContact CE1-CG 3.84Å; P859-K861 PolarHBondContact O-N 3.15Å; P859-K861 VanDerWaalsContact O-N 3.13Å |
| 860 | G | 88.8 | Confident | 94.1 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 10.8 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | T808 V858 | T808-G860 VanDerWaalsContact CG2-CA 3.5Å; T808-G860 PolarHBondContact OG1-O 2.89Å; V858-G860 PolarHBondContact O-N 3.2Å |
| 861 | K | 93.9 | Very high | 94.2 | Very high | 146 Ų | 146 | 62.9 Ų | 62.9 | 64% | 0.635 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | -48.4 | -175.4 | -170.5 | 177.6 | -178.5 | 176 | 0 | 114.7 | V811 V858 P859 | V811-K861 PolarHBondContact N-O 3.12Å; V858-K861 HydrophobicContact CB-CB 4.42Å; V858-K861 HydrophobicContact CG1-CB 4.05Å; V858-K861 HydrophobicContact CG1-CD 4.38Å; V858-K861 PolarHBondContact O-N 2.98Å; P859-K861 PolarHBondContact O-N 3.15Å; P859-K861 VanDerWaalsContact O-N 3.13Å |
| 862 | L | 97 | Very high | 94.4 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139 | -168.3 | 179.5 | 146.4 | 0 | 0 | 0 | 112.6 | V811 V858 N864 | V811-L862 WeakPolarHBondContact O-CA 3.43Å; V858-L862 HydrophobicContact CB-CB 4.17Å; V858-L862 HydrophobicContact CG2-CB 4.38Å; V858-L862 HydrophobicContact CG2-CD2 4.31Å; V858-L862 PolarHBondContact N-O 3.34Å; V858-L862 PolarHBondContact O-N 3Å; L862-N864 HydrophobicContact CD2-CB 3.9Å |
| 863 | L | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.9 | 167.5 | 179.3 | 71.7 | 0 | 0 | 0 | 108.5 | V810 V811 V812 Q813 V833 R834 A837 V855 Y857 L865 | V810-L863 HydrophobicContact CG1-CB 4.02Å; V811-L863 PolarHBondContact O-N 2.79Å; V812-L863 CarbonylContact C-O 3.56Å; V812-L863 VanDerWaalsContact CA-O 3.31Å; V812-L863 WeakPolarHBondContact CA-O 3.41Å; V812-L863 HydrophobicContact CG1-CD2 4.37Å; Q813-L863 PolarHBondContact N-O 2.58Å; V833-L863 HydrophobicContact CG1-CB 4.36Å; V833-L863 HydrophobicContact CG1-CD2 4.26Å; R834-L863 HydrophobicContact CG-CD1 3.96Å; R834-L863 HydrophobicContact CG-CD2 4.09Å; A837-L863 HydrophobicContact CB-CD2 3.48Å; A837-L863 VanDerWaalsContact CB-CD2 3.48Å; V855-L863 HydrophobicContact CG1-CD1 3.41Å; V855-L863 VanDerWaalsContact CG1-CD1 3.41Å; Y857-L863 HydrophobicContact CD2-CB 4.5Å; Y857-L863 HydrophobicContact CD2-CD1 4.09Å; L863-L865 HydrophobicContact CD1-CD2 4.38Å; L863-L865 HydrophobicContact CD2-CD2 4.27Å; L863-L865 HydrophobicContact CG-CD2 4.23Å |
| 864 | N | 97.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.8 | 174.3 | -179.1 | 28.8 | 0 | 0 | 0 | 110.7 | Q813 G816 V855 I856 L862 | Q813-N864 HydrophobicContact CB-CB 3.97Å; Q813-N864 WeakPolarHBondContact CB-OD1 3.39Å; Q813-N864 WeakPolarHBondContact O-CA 3.46Å; G816-N864 PolarHBondContact N-OD1 2.93Å; V855-N864 WeakPolarHBondContact CA-O 3.42Å; I856-N864 HydrophobicContact CB-CB 4.32Å; I856-N864 PolarHBondContact N-O 3.24Å; I856-N864 PolarHBondContact O-N 2.87Å; L862-N864 HydrophobicContact CD2-CB 3.9Å |
| 865 | L | 96.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108.3 | 178 | -56.6 | 176.2 | 0 | 0 | 0 | 108.8 | Q813 V814 N815 V843 L847 V852 V855 L863 V867 | Q813-L865 PolarHBondContact O-N 3.35Å; V814-L865 WeakPolarHBondContact CA-O 3.37Å; V814-L865 HydrophobicContact CG2-CB 4.41Å; N815-L865 PolarHBondContact N-O 3.12Å; V843-L865 HydrophobicContact CG1-CD1 3.87Å; L847-L865 HydrophobicContact CD1-CD1 3.8Å; L847-L865 HydrophobicContact CD2-CB 4.35Å; L847-L865 HydrophobicContact CD2-CD1 3.94Å; L847-L865 HydrophobicContact CG-CD1 4.4Å; V852-L865 HydrophobicContact CG1-CD2 4.49Å; V855-L865 HydrophobicContact CB-CD2 4.4Å; V855-L865 HydrophobicContact CG1-CD2 4.08Å; V855-L865 HydrophobicContact CG2-CD2 3.51Å; L863-L865 HydrophobicContact CD1-CD2 4.38Å; L863-L865 HydrophobicContact CD2-CD2 4.27Å; L863-L865 HydrophobicContact CG-CD2 4.23Å; L865-V867 PolarHBondContact O-N 3.33Å |
| 866 | V | 96.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.5 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 108 | N815 V852 R853 K854 | N815-V866 WeakPolarHBondContact OD1-CA 3.22Å; V852-V866 CarbonylContact C-O 3.56Å; R853-V866 PolarHBondContact N-O 2.91Å; K854-V866 HydrophobicContact CB-CB 4.2Å; K854-V866 HydrophobicContact CB-CG2 4.45Å; K854-V866 PolarHBondContact N-O 3.31Å; K854-V866 WeakPolarHBondContact O-CB 3.34Å; K854-V866 PolarHBondContact O-N 3.23Å |
| 867 | V | 93.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.1 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | V814 N815 L847 V850 T851 V852 L865 | V814-V867 HydrophobicContact CG1-CG1 4.15Å; V814-V867 HydrophobicContact CG1-CG2 3.57Å; N815-V867 VanDerWaalsContact ND2-CG2 3.3Å; N815-V867 WeakPolarHBondContact ND2-CG2 3.46Å; N815-V867 PolarHBondContact ND2-O 3.07Å; N815-V867 PolarHBondContact OD1-N 3.28Å; N815-V867 PolarHBondContact OD1-O 3.35Å; L847-V867 HydrophobicContact CD2-CG1 3.49Å; L847-V867 VanDerWaalsContact CD2-CG1 3.49Å; V850-V867 HydrophobicContact CB-CB 4.27Å; V850-V867 HydrophobicContact CG2-CB 3.78Å; V850-V867 HydrophobicContact CG2-CG1 4.04Å; V850-V867 HydrophobicContact CG2-CG2 4.09Å; T851-V867 WeakPolarHBondContact O-CA 3.5Å; V852-V867 HydrophobicContact CG2-CG1 4.09Å; L865-V867 PolarHBondContact O-N 3.33Å |
| 868 | G | 85.3 | Confident | 94 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 68% | 0.68 | 30% | 0.297 | S | S | * | . | trans | 166.7 | 0 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T851 R853 | T851-G868 PolarHBondContact O-N 3.46Å; R853-G868 PolarHBondContact NE-O 3.11Å; R853-G868 PolarHBondContact NH2-O 2.97Å; R853-G868 PolarHBondContact NH2-OXT 3.49Å |
Retrieved 868 of 868 residues in 2583.7 ms
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