| 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 | 30.8 | Very low | 45.3 | Very low | 237 Ų | 237 | 122.3 Ų | 122.3 | 100% | 1.167 | 65% | 0.653 | S | S | * | * | 0 | 121.5 | 0 | -74.5 | 179.1 | -173.9 | 0 | 0 | 108 | V3 | M1-V3 PolarHBondContact O-N 3.33Å; M1-V3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 27.1 | Very low | 47.2 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | -66.9 | 111.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q4 | A2-Q4 PolarHBondContact O-N 3.09Š| ||
| 3 | V | 39 | Very low | 48.7 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | trans | -68.9 | 111.1 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 108 | M1 | M1-V3 PolarHBondContact O-N 3.33Å; M1-V3 VanDerWaalsContact O-N 3.15Å | ||
| 4 | Q | 37.6 | Very low | 50.5 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | trans | -68.5 | 135.5 | 177.3 | -76 | -172.4 | -11.2 | 0 | 0 | 110.4 | A2 K6 | A2-Q4 PolarHBondContact O-N 3.09Å; Q4-K6 PolarHBondContact O-N 2.72Å | ||
| 5 | P | 40.8 | Very low | 52 | Low | 102 Ų | 102 | 109.5 Ų | 109.5 | 66% | 0.662 | 61% | 0.608 | S | S | * | * | trans | -72.9 | 89.8 | 172.8 | 29 | -31 | 0 | 0 | 0 | 109.3 | V63 | P5-V63 HydrophobicContact CB-CG1 4.39Š| ||
| 6 | K | 44.9 | Very low | 53.8 | Low | 175 Ų | 175 | 103.8 Ų | 103.8 | 76% | 0.761 | 58% | 0.575 | S | S | * | * | trans | -94.5 | 99.9 | 165.4 | -86.5 | -174.6 | 175.2 | 179.9 | 0 | 108.1 | Q4 | Q4-K6 PolarHBondContact O-N 2.72Š| ||
| 7 | E | 48.8 | Very low | 55.5 | Low | 115 Ų | 115 | 99.8 Ų | 99.8 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | trans | 160.2 | 112.8 | 143.1 | -89 | 163.6 | -164.1 | 0 | 0 | 109.6 | L9 F42 V79 | E7-L9 PolarHBondContact O-N 3.43Å; E7-F42 WeakPolarHBondContact OE2-CD1 3.43Å; E7-V79 HydrophobicContact CB-CG1 4.47Å | ||
| 8 | T | 49.4 | Very low | 57.1 | Low | 107 Ų | 107 | 95.6 Ų | 95.6 | 66% | 0.656 | 54% | 0.537 | S | S | * | . | trans | -71.7 | 117.7 | 164.8 | 23.7 | 0 | 0 | 0 | 0 | 108.4 | Q10 | T8-Q10 VanDerWaalsContact C-N 3.25Å; T8-Q10 PolarHBondContact O-N 3.01Å | ||
| 9 | L | 58 | Low | 58.7 | Low | 34 Ų | 34 | 90.6 Ų | 90.6 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | trans | -65.2 | 83.8 | 173 | -156.3 | 159.9 | 0 | 0 | 0 | 108.5 | E7 L11 T44 M67 V79 | E7-L9 PolarHBondContact O-N 3.43Å; L9-L11 HydrophobicContact CD2-CD1 3.52Å; L9-L11 HydrophobicContact CD2-CG 3.83Å; L9-T44 HydrophobicContact CD1-CG2 3.63Å; L9-M67 HydrophobicContact CD1-SD 4.48Å; L9-M67 HydrophobicContact CD2-SD 3.56Å; L9-M67 VanDerWaalsContact CD2-SD 3.56Å; L9-V79 HydrophobicContact CB-CG2 4.02Å; L9-V79 HydrophobicContact CD1-CG2 3.65Å; L9-V79 HydrophobicContact CG-CG2 4.18Å | ||
| 10 | Q | 57.6 | Low | 60.2 | Low | 171 Ų | 171 | 86.7 Ų | 86.7 | 80% | 0.799 | 49% | 0.487 | S | S | * | . | trans | -94 | 93.3 | 178.4 | -71.2 | -175 | 1.2 | 0 | 0 | 109.1 | T8 | T8-Q10 VanDerWaalsContact C-N 3.25Å; T8-Q10 PolarHBondContact O-N 3.01Å | ||
| 11 | L | 64.9 | Low | 61.5 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | trans | -98.8 | 143.8 | 168.8 | -70.6 | 167.7 | 0 | 0 | 0 | 109.2 | L9 E16 M67 | L9-L11 HydrophobicContact CD2-CD1 3.52Å; L9-L11 HydrophobicContact CD2-CG 3.83Å; L11-E16 HydrophobicContact CB-CB 4.09Å; L11-M67 HydrophobicContact CD1-SD 4.09Å | ||
| 12 | E | 67.1 | Low | 64.3 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | trans | -61.3 | 140.7 | 167.5 | -71.1 | -173.6 | -174.4 | 0 | 0 | 110.1 | A14 A15 E16 K113 | E12-A14 PolarHBondContact O-N 2.72Å; E12-A14 VanDerWaalsContact O-N 3.1Å; E12-A15 PolarHBondContact O-N 3.21Å; E12-E16 PolarHBondContact O-N 3Å; E12-K113 VanDerWaalsContact CD-NZ 3.29Å; E12-K113 IonicContact OE1-NZ 2.76Å; E12-K113 PolarHBondContact OE1-NZ 3.04Å; E12-K113 VanDerWaalsContact OE1-NZ 3.15Å; E12-K113 WeakPolarHBondContact OE2-CE 3.34Å; E12-K113 IonicContact OE2-NZ 3.84Å; E12-K113 PolarHBondContact OE2-NZ 3.39Å | ||
| 13 | S | 67.6 | Low | 67.3 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -56.3 | -33.1 | -170.9 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | V17 | S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 2.66Å |
| 14 | A | 73 | Confident | 69.7 | Low | 73 Ų | 73 | 81.1 Ų | 81.1 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.3 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E12 G18 | E12-A14 PolarHBondContact O-N 2.72Å; E12-A14 VanDerWaalsContact O-N 3.1Å; A14-G18 PolarHBondContact O-N 2.81Å; A14-G18 VanDerWaalsContact O-N 3.08Å |
| 15 | A | 74.2 | Confident | 72.2 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -72.1 | -35.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E12 G18 F19 N115 | E12-A15 PolarHBondContact O-N 3.21Å; A15-G18 PolarHBondContact O-N 3.03Å; A15-F19 PolarHBondContact O-N 3.11Å; A15-N115 PolarHBondContact O-ND2 3.34Å; A15-N115 VanDerWaalsContact O-ND2 3.09Å |
| 16 | E | 80.8 | Confident | 74.6 | Confident | 17 Ų | 17 | 74.5 Ų | 74.5 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 175 | -170.5 | -174.7 | 156.6 | 0 | 0 | 111.1 | L11 E12 F19 V20 M67 G68 K73 | L11-E16 HydrophobicContact CB-CB 4.09Å; E12-E16 PolarHBondContact O-N 3Å; E16-F19 PolarHBondContact O-N 3.35Å; E16-V20 WeakPolarHBondContact O-CG2 3.25Å; E16-V20 PolarHBondContact O-N 3Å; E16-V20 VanDerWaalsContact O-N 3.11Å; E16-M67 HydrophobicContact CG-CB 3.98Å; E16-M67 HydrophobicContact CG-CG 4.38Å; E16-M67 HydrophobicContact CG-SD 4.48Å; E16-M67 WeakPolarHBondContact OE1-CA 3.26Å; E16-M67 WeakPolarHBondContact OE1-CB 3.25Å; E16-G68 PolarHBondContact OE1-N 3.12Å; E16-K73 IonicContact OE1-NZ 3.82Å; E16-K73 PolarHBondContact OE1-NZ 2.74Å; E16-K73 IonicContact OE2-NZ 2.65Å; E16-K73 PolarHBondContact OE2-NZ 2.81Å |
| 17 | V | 81.6 | Confident | 76.8 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | S13 F19 V20 R21 | S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 2.66Å; V17-F19 VanDerWaalsContact C-N 3.34Å; V17-F19 PolarHBondContact O-N 3.04Å; V17-V20 PolarHBondContact O-N 3.07Å; V17-R21 PolarHBondContact O-N 3.12Å; V17-R21 VanDerWaalsContact O-N 3.11Å |
| 18 | G | 84.4 | Confident | 78.8 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A14 A15 R21 F22 | A14-G18 PolarHBondContact O-N 2.81Å; A14-G18 VanDerWaalsContact O-N 3.08Å; A15-G18 PolarHBondContact O-N 3.03Å; G18-R21 PolarHBondContact O-N 3.48Å; G18-F22 PolarHBondContact O-N 3.05Å |
| 19 | F | 87.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.7 | 179.6 | -97.3 | 0 | 0 | 0 | 112 | A15 E16 V17 R21 F22 F23 F37 H46 M67 L75 N115 W117 | A15-F19 PolarHBondContact O-N 3.11Å; E16-F19 PolarHBondContact O-N 3.35Å; V17-F19 VanDerWaalsContact C-N 3.34Å; V17-F19 PolarHBondContact O-N 3.04Å; F19-R21 VanDerWaalsContact C-N 3.3Å; F19-R21 PolarHBondContact O-N 3.45Å; F19-F22 HydrophobicContact CE2-CD1 4.45Å; F19-F22 WeakPolarHBondContact O-CB 3.16Å; F19-F22 PolarHBondContact O-N 3.28Å; F19-F23 HydrophobicContact CE1-CB 4.33Å; F19-F23 WeakPolarHBondContact O-CB 3.48Å; F19-F23 PolarHBondContact O-N 3.27Å; F19-F37 AromaticContact CE2-CD1 3.83Å; F19-F37 HydrophobicContact CE2-CD1 3.83Å; F19-F37 HydrophobicContact CE2-CE1 4.12Å; F19-F37 HydrophobicContact CE2-CG 4.23Å; F19-F37 AromaticContact CZ-CD1 3.98Å; F19-F37 HydrophobicContact CZ-CD1 3.98Å; F19-F37 HydrophobicContact CZ-CD2 4.23Å; F19-F37 HydrophobicContact CZ-CE1 4.14Å; F19-F37 HydrophobicContact CZ-CE2 4.36Å; F19-F37 HydrophobicContact CZ-CG 4.03Å; F19-F37 HydrophobicContact CZ-CZ 4.32Å; F19-H46 AromaticContact CE1-CD2 3.52Å; F19-H46 AromaticContact CE1-CE1 3.65Å; F19-H46 AromaticContact CE1-CG 3.92Å; F19-H46 AromaticContact CE1-ND1 3.98Å; F19-H46 AromaticContact CE1-NE2 3.34Å; F19-H46 VanDerWaalsContact CE1-NE2 3.34Å; F19-H46 WeakPolarHBondContact CE1-NE2 3.37Å; F19-H46 AromaticContact CZ-CD2 3.48Å; F19-H46 VanDerWaalsContact CZ-CD2 3.48Å; F19-H46 WeakPolarHBondContact CZ-CD2 3.31Å; F19-H46 AromaticContact CZ-NE2 3.37Å; F19-H46 WeakPolarHBondContact CZ-NE2 3.48Å; F19-M67 HydrophobicContact CD1-CE 3.53Å; F19-M67 HydrophobicContact CE1-CE 3.75Å; F19-L75 HydrophobicContact CE1-CD2 4.46Å; F19-N115 WeakPolarHBondContact CB-OD1 3.34Å; F19-N115 PolarHBondContact N-ND2 2.93Å; F19-N115 VanDerWaalsContact N-ND2 3.18Å; F19-W117 AromaticContact CD2-CE2 3.79Å; F19-W117 AromaticContact CD2-CZ2 3.93Å; F19-W117 HydrophobicContact CD2-CZ2 3.93Å; F19-W117 AromaticContact CD2-NE1 3.5Å; F19-W117 HydrophobicContact CE2-CD2 4.43Å; F19-W117 AromaticContact CE2-CE2 3.75Å; F19-W117 AromaticContact CE2-CZ2 3.82Å; F19-W117 HydrophobicContact CE2-CZ2 3.82Å; F19-W117 AromaticContact CE2-NE1 3.85Å |
| 20 | V | 88.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | E16 V17 F23 Q24 M67 L75 | E16-V20 WeakPolarHBondContact O-CG2 3.25Å; E16-V20 PolarHBondContact O-N 3Å; E16-V20 VanDerWaalsContact O-N 3.11Å; V17-V20 PolarHBondContact O-N 3.07Å; V20-F23 PolarHBondContact O-N 3.23Å; V20-Q24 WeakPolarHBondContact O-CB 3.42Å; V20-Q24 VanDerWaalsContact O-CG 3.29Å; V20-Q24 WeakPolarHBondContact O-CG 3.41Å; V20-Q24 PolarHBondContact O-N 2.97Å; V20-M67 HydrophobicContact CG2-CB 4.33Å; V20-L75 HydrophobicContact CG2-CD2 3.9Å |
| 21 | R | 87.1 | Confident | 83.9 | Confident | 174 Ų | 174 | 68.5 Ų | 68.5 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 174.9 | -71.5 | -178.8 | -174.4 | 166.9 | 2 | 112.1 | V17 G18 F19 Q24 S25 | V17-R21 PolarHBondContact O-N 3.12Å; V17-R21 VanDerWaalsContact O-N 3.11Å; G18-R21 PolarHBondContact O-N 3.48Å; F19-R21 VanDerWaalsContact C-N 3.3Å; F19-R21 PolarHBondContact O-N 3.45Å; R21-Q24 PolarHBondContact O-N 3.09Å; R21-S25 PolarHBondContact O-N 2.88Å; R21-S25 VanDerWaalsContact O-N 3.08Å; R21-S25 PolarHBondContact O-OG 2.86Å |
| 22 | F | 89.9 | Confident | 85 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 18% | 0.184 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 174.6 | 167.3 | -94.3 | 0 | 0 | 0 | 110.9 | G18 F19 Q24 S25 M26 F37 W117 | G18-F22 PolarHBondContact O-N 3.05Å; F19-F22 HydrophobicContact CE2-CD1 4.45Å; F19-F22 WeakPolarHBondContact O-CB 3.16Å; F19-F22 PolarHBondContact O-N 3.28Å; F22-Q24 VanDerWaalsContact C-N 3.29Å; F22-Q24 PolarHBondContact O-N 3.37Å; F22-S25 WeakPolarHBondContact O-CA 3.4Å; F22-S25 PolarHBondContact O-N 3.02Å; F22-S25 PolarHBondContact O-OG 2.88Å; F22-M26 HydrophobicContact CD1-SD 4.42Å; F22-M26 HydrophobicContact CE1-CE 4.34Å; F22-M26 HydrophobicContact CE1-CG 3.94Å; F22-M26 HydrophobicContact CE1-SD 3.66Å; F22-M26 HydrophobicContact CZ-CE 4.33Å; F22-M26 HydrophobicContact CZ-CG 3.98Å; F22-M26 HydrophobicContact CZ-SD 4.08Å; F22-M26 WeakPolarHBondContact O-CG 3.25Å; F22-M26 PolarHBondContact O-N 2.49Å; F22-F37 HydrophobicContact CE1-CE1 4.07Å; F22-W117 HydrophobicContact CD1-CB 4.31Å; F22-W117 AromaticContact CD1-CD1 3.72Å; F22-W117 HydrophobicContact CD1-CG 4.14Å; F22-W117 HydrophobicContact CE1-CB 3.6Å; F22-W117 AromaticContact CE1-CD1 3.87Å; F22-W117 AromaticContact CE1-CG 3.81Å; F22-W117 HydrophobicContact CE1-CG 3.81Å; F22-W117 HydrophobicContact CE2-CB 3.95Å; F22-W117 HydrophobicContact CZ-CB 3.41Å; F22-W117 VanDerWaalsContact CZ-CB 3.41Å; F22-W117 HydrophobicContact CZ-CG 4.12Å |
| 23 | F | 90.7 | Very high | 86.3 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.9 | -40.1 | 179.7 | -175.7 | -96.6 | 0 | 0 | 0 | 112.5 | F19 V20 S25 M26 F37 H46 L75 | F19-F23 HydrophobicContact CE1-CB 4.33Å; F19-F23 WeakPolarHBondContact O-CB 3.48Å; F19-F23 PolarHBondContact O-N 3.27Å; V20-F23 PolarHBondContact O-N 3.23Å; F23-S25 VanDerWaalsContact C-N 3.29Å; F23-S25 PolarHBondContact O-N 3.42Å; F23-M26 HydrophobicContact CD2-SD 3.93Å; F23-M26 WeakPolarHBondContact O-CB 3.47Å; F23-M26 PolarHBondContact O-N 3.4Å; F23-F37 HydrophobicContact CD2-CE2 4.03Å; F23-F37 AromaticContact CD2-CZ 3.77Å; F23-F37 HydrophobicContact CD2-CZ 3.77Å; F23-F37 AromaticContact CE2-CE2 3.95Å; F23-F37 HydrophobicContact CE2-CE2 3.95Å; F23-F37 HydrophobicContact CE2-CZ 4.03Å; F23-H46 HydrophobicContact CD2-CB 4.28Å; F23-H46 HydrophobicContact CE1-CB 4.34Å; F23-H46 HydrophobicContact CE2-CB 3.82Å; F23-H46 HydrophobicContact CZ-CB 3.84Å; F23-L75 HydrophobicContact CD1-CD1 3.9Å; F23-L75 HydrophobicContact CD1-CD2 4.16Å; F23-L75 HydrophobicContact CE1-CD1 3.77Å; F23-L75 HydrophobicContact CG-CD2 4.47Å |
| 24 | Q | 89.1 | Confident | 87.6 | Confident | 148 Ų | 148 | 59.3 Ų | 59.3 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.5 | -26.3 | 175.5 | -75.2 | 175.1 | -10.5 | 0 | 0 | 113.6 | V20 R21 F22 M26 | V20-Q24 WeakPolarHBondContact O-CB 3.42Å; V20-Q24 VanDerWaalsContact O-CG 3.29Å; V20-Q24 WeakPolarHBondContact O-CG 3.41Å; V20-Q24 PolarHBondContact O-N 2.97Å; R21-Q24 PolarHBondContact O-N 3.09Å; F22-Q24 VanDerWaalsContact C-N 3.29Å; F22-Q24 PolarHBondContact O-N 3.37Å; Q24-M26 VanDerWaalsContact C-N 3.35Å |
| 25 | S | 90.7 | Very high | 88.7 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -84.4 | -7 | 177.1 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | R21 F22 F23 | R21-S25 PolarHBondContact O-N 2.88Å; R21-S25 VanDerWaalsContact O-N 3.08Å; R21-S25 PolarHBondContact O-OG 2.86Å; F22-S25 WeakPolarHBondContact O-CA 3.4Å; F22-S25 PolarHBondContact O-N 3.02Å; F22-S25 PolarHBondContact O-OG 2.88Å; F23-S25 VanDerWaalsContact C-N 3.29Å; F23-S25 PolarHBondContact O-N 3.42Å |
| 26 | M | 91.2 | Very high | 89.7 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -67.3 | 148.3 | -179.2 | -64.4 | -175.9 | 77 | 0 | 0 | 111.2 | F22 F23 Q24 F37 Y103 | F22-M26 HydrophobicContact CD1-SD 4.42Å; F22-M26 HydrophobicContact CE1-CE 4.34Å; F22-M26 HydrophobicContact CE1-CG 3.94Å; F22-M26 HydrophobicContact CE1-SD 3.66Å; F22-M26 HydrophobicContact CZ-CE 4.33Å; F22-M26 HydrophobicContact CZ-CG 3.98Å; F22-M26 HydrophobicContact CZ-SD 4.08Å; F22-M26 WeakPolarHBondContact O-CG 3.25Å; F22-M26 PolarHBondContact O-N 2.49Å; F23-M26 HydrophobicContact CD2-SD 3.93Å; F23-M26 WeakPolarHBondContact O-CB 3.47Å; F23-M26 PolarHBondContact O-N 3.4Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; M26-F37 HydrophobicContact CE-CE1 4.36Å; M26-F37 HydrophobicContact CE-CZ 4.15Å; M26-F37 HydrophobicContact SD-CE1 4.1Å; M26-F37 HydrophobicContact SD-CZ 3.73Å; M26-Y103 HydrophobicContact CE-CD1 4.12Å; M26-Y103 HydrophobicContact CE-CD2 4.14Å; M26-Y103 HydrophobicContact CE-CE1 3.53Å; M26-Y103 HydrophobicContact CE-CE2 3.54Å; M26-Y103 HydrophobicContact CE-CG 4.4Å; M26-Y103 WeakPolarHBondContact CE-OH 3.34Å |
| 27 | P | 91 | Very high | 90.3 | Very high | 95 Ų | 95 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 146.3 | 174.9 | -23 | 32.8 | 0 | 0 | 0 | 111.5 | K29 R35 | P27-K29 PolarHBondContact O-N 3.13Å; P27-R35 PolarHBondContact O-NH1 2.79Å; P27-R35 PolarHBondContact O-NH2 2.92Å |
| 28 | E | 90.6 | Very high | 90.8 | Very high | 196 Ų | 196 | 54.3 Ų | 54.3 | 92% | 0.916 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 140.7 | 172.2 | -169.7 | 175.8 | -178.5 | 0 | 0 | 110.2 | ||
| 29 | K | 91.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | trans | -119.5 | 147.2 | 180 | 73.9 | -178.1 | -174.4 | 69.5 | 0 | 110.4 | P27 T33 R35 E48 D49 | P27-K29 PolarHBondContact O-N 3.13Å; K29-T33 WeakPolarHBondContact CD-O 3.28Å; K29-T33 PolarHBondContact NZ-O 2.9Å; K29-R35 HydrophobicContact CD-CG 3.91Å; K29-E48 IonicContact NZ-OE2 3.15Å; K29-D49 WeakPolarHBondContact CE-OD1 3.25Å; K29-D49 WeakPolarHBondContact CE-OD2 3.44Å; K29-D49 IonicContact NZ-OD1 3.39Å; K29-D49 PolarHBondContact NZ-OD1 3.47Å; K29-D49 IonicContact NZ-OD2 2.69Å; K29-D49 PolarHBondContact NZ-OD2 3.17Å | ||
| 30 | P | 89.6 | Confident | 90.8 | Very high | 70 Ų | 70 | 56 Ų | 56 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | trans | -62.8 | 148.6 | 166.4 | -19.3 | 32 | 0 | 0 | 0 | 111.4 | T32 T33 | P30-T32 PolarHBondContact O-N 3.01Å; P30-T32 VanDerWaalsContact O-N 3.15Å; P30-T33 PolarHBondContact O-N 3.48Å | ||
| 31 | T | 90.3 | Very high | 90.5 | Very high | 78 Ų | 78 | 61 Ų | 61 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.8 | 171.6 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | T33 E48 | T31-T33 PolarHBondContact O-N 3.09Å; T31-E48 WeakPolarHBondContact CG2-OE1 3.2Å; T31-E48 PolarHBondContact OG1-OE1 2.79Å |
| 32 | T | 89.6 | Confident | 90.6 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -1 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | P30 Y98 R99 | P30-T32 PolarHBondContact O-N 3.01Å; P30-T32 VanDerWaalsContact O-N 3.15Å; T32-Y98 HydrophobicContact CG2-CD1 4.33Å; T32-Y98 HydrophobicContact CG2-CE1 4.05Å; T32-Y98 CarbonylContact O-C 3.47Å; T32-Y98 WeakPolarHBondContact O-CA 3.49Å; T32-Y98 VanDerWaalsContact O-CB 3.31Å; T32-Y98 WeakPolarHBondContact O-CB 3.48Å; T32-R99 PolarHBondContact O-N 2.84Å |
| 33 | T | 93.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.5 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | K29 P30 T31 R99 E101 | K29-T33 WeakPolarHBondContact CD-O 3.28Å; K29-T33 PolarHBondContact NZ-O 2.9Å; P30-T33 PolarHBondContact O-N 3.48Å; T31-T33 PolarHBondContact O-N 3.09Å; T33-R99 CarbonylContact C-O 3.51Å; T33-R99 WeakPolarHBondContact CA-O 3.34Å; T33-R99 HydrophobicContact CG2-CB 4.29Å; T33-E101 HydrophobicContact CG2-CG 3.94Å |
| 34 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.2 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | L36 D49 L52 F88 L92 Y98 R99 V100 E101 | V34-L36 HydrophobicContact CG1-CD2 4.12Å; V34-L36 HydrophobicContact CG1-CG 4.3Å; V34-D49 HydrophobicContact CG1-CB 4.01Å; V34-L52 HydrophobicContact CG2-CD2 3.79Å; V34-F88 HydrophobicContact CG1-CE1 4.22Å; V34-L92 HydrophobicContact CB-CD1 3.92Å; V34-L92 HydrophobicContact CG1-CD1 3.91Å; V34-L92 HydrophobicContact CG2-CD1 3.9Å; V34-L92 HydrophobicContact CG2-CD2 4.01Å; V34-Y98 HydrophobicContact CG2-CD2 3.88Å; V34-R99 PolarHBondContact N-O 2.8Å; V34-V100 WeakPolarHBondContact O-CA 3.16Å; V34-E101 PolarHBondContact O-N 3.38Å |
| 35 | R | 96.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 6% | 0.064 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.1 | 178.4 | -67.8 | -177.7 | 175 | 152.7 | 1.8 | 110.9 | P27 K29 F37 D49 E101 Y103 | P27-R35 PolarHBondContact O-NH1 2.79Å; P27-R35 PolarHBondContact O-NH2 2.92Å; K29-R35 HydrophobicContact CD-CG 3.91Å; R35-F37 HydrophobicContact CB-CE2 4.19Å; R35-F37 HydrophobicContact CB-CZ 4.44Å; R35-D49 PolarHBondContact N-OD2 3.12Å; R35-E101 CarbonylContact C-O 3.5Å; R35-E101 WeakPolarHBondContact CA-O 3.33Å; R35-E101 HydrophobicContact CG-CB 4.06Å; R35-E101 WeakPolarHBondContact CG-OE2 3.32Å; R35-E101 IonicContact CZ-OE2 2.84Å; R35-E101 IonicContact NE-OE2 3.17Å; R35-E101 PolarHBondContact NE-OE2 2.9Å; R35-E101 IonicContact NH2-OE2 2.64Å; R35-Y103 HydrophobicContact CB-CE2 4.36Å; R35-Y103 HydrophobicContact CG-CE2 4.02Å |
| 36 | L | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.1 | 178.2 | -57.3 | 172.9 | 0 | 0 | 0 | 109.8 | V34 A45 L80 F85 F88 V89 V100 E101 V102 Y103 | V34-L36 HydrophobicContact CG1-CD2 4.12Å; V34-L36 HydrophobicContact CG1-CG 4.3Å; L36-A45 HydrophobicContact CD2-CB 3.86Å; L36-L80 HydrophobicContact CD2-CD1 4.01Å; L36-F85 HydrophobicContact CB-CE2 4.15Å; L36-F85 HydrophobicContact CD1-CD2 3.65Å; L36-F85 HydrophobicContact CD1-CE2 3.47Å; L36-F85 VanDerWaalsContact CD1-CE2 3.47Å; L36-F85 HydrophobicContact CG-CE2 4.43Å; L36-F88 HydrophobicContact CD2-CD1 4.46Å; L36-F88 HydrophobicContact CD2-CE1 4.27Å; L36-V89 HydrophobicContact CD1-CG2 3.69Å; L36-V100 HydrophobicContact CD1-CG1 3.96Å; L36-V100 HydrophobicContact CG-CG1 4.5Å; L36-E101 PolarHBondContact N-O 2.97Å; L36-V102 HydrophobicContact CB-CG1 4.46Å; L36-V102 HydrophobicContact CB-CG2 4.26Å; L36-V102 WeakPolarHBondContact O-CA 3.32Å; L36-Y103 PolarHBondContact O-N 3.26Å |
| 37 | F | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.3 | -175.2 | -63.8 | -91.9 | 0 | 0 | 0 | 109.9 | F19 F22 F23 M26 R35 Y43 T44 H46 Y103 W117 | F19-F37 AromaticContact CE2-CD1 3.83Å; F19-F37 HydrophobicContact CE2-CD1 3.83Å; F19-F37 HydrophobicContact CE2-CE1 4.12Å; F19-F37 HydrophobicContact CE2-CG 4.23Å; F19-F37 AromaticContact CZ-CD1 3.98Å; F19-F37 HydrophobicContact CZ-CD1 3.98Å; F19-F37 HydrophobicContact CZ-CD2 4.23Å; F19-F37 HydrophobicContact CZ-CE1 4.14Å; F19-F37 HydrophobicContact CZ-CE2 4.36Å; F19-F37 HydrophobicContact CZ-CG 4.03Å; F19-F37 HydrophobicContact CZ-CZ 4.32Å; F22-F37 HydrophobicContact CE1-CE1 4.07Å; F23-F37 HydrophobicContact CD2-CE2 4.03Å; F23-F37 AromaticContact CD2-CZ 3.77Å; F23-F37 HydrophobicContact CD2-CZ 3.77Å; F23-F37 AromaticContact CE2-CE2 3.95Å; F23-F37 HydrophobicContact CE2-CE2 3.95Å; F23-F37 HydrophobicContact CE2-CZ 4.03Å; M26-F37 HydrophobicContact CE-CE1 4.36Å; M26-F37 HydrophobicContact CE-CZ 4.15Å; M26-F37 HydrophobicContact SD-CE1 4.1Å; M26-F37 HydrophobicContact SD-CZ 3.73Å; R35-F37 HydrophobicContact CB-CE2 4.19Å; R35-F37 HydrophobicContact CB-CZ 4.44Å; F37-Y43 CarbonylContact O-C 3.56Å; F37-Y43 VanDerWaalsContact O-CA 3.27Å; F37-Y43 WeakPolarHBondContact O-CA 3.36Å; F37-T44 PolarHBondContact N-O 3.07Å; F37-T44 PolarHBondContact O-N 3.24Å; F37-H46 AromaticContact CD2-CD2 3.51Å; F37-H46 AromaticContact CE2-CD2 3.79Å; F37-Y103 HydrophobicContact CD1-CG 4.31Å; F37-Y103 HydrophobicContact CE1-CD2 4.11Å; F37-Y103 AromaticContact CE1-CG 3.97Å; F37-Y103 HydrophobicContact CE1-CG 3.97Å; F37-Y103 HydrophobicContact CZ-CD2 4.38Å; F37-W117 HydrophobicContact CB-CH2 3.99Å; F37-W117 HydrophobicContact CB-CZ3 3.8Å; F37-W117 HydrophobicContact CD1-CD2 4.13Å; F37-W117 AromaticContact CD1-CE3 3.77Å; F37-W117 HydrophobicContact CD1-CE3 3.77Å; F37-W117 HydrophobicContact CD1-CH2 4.4Å; F37-W117 AromaticContact CD1-CZ3 3.92Å; F37-W117 HydrophobicContact CD1-CZ3 3.92Å; F37-W117 HydrophobicContact CG-CZ3 4.37Å |
| 38 | D | 91.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.3 | 178.9 | -171.3 | -15.6 | 0 | 0 | 0 | 110.5 | G40 Y43 V102 Y103 K104 W117 | D38-G40 PolarHBondContact OD1-N 3.42Å; D38-Y43 HydrophobicContact CB-CD1 3.95Å; D38-Y43 HydrophobicContact CB-CE1 3.61Å; D38-V102 HydrophobicContact CB-CG1 4.5Å; D38-Y103 WeakPolarHBondContact CB-O 3.44Å; D38-Y103 PolarHBondContact N-O 3.32Å; D38-K104 HydrophobicContact CB-CG 3.82Å; D38-K104 WeakPolarHBondContact OD2-CE 3.45Å; D38-W117 WeakPolarHBondContact O-CH2 3.43Å; D38-W117 VanDerWaalsContact O-CZ3 3.27Å; D38-W117 WeakPolarHBondContact O-CZ3 3.38Å |
| 39 | R | 87.1 | Confident | 91.9 | Very high | 47 Ų | 47 | 30.6 Ų | 30.6 | 18% | 0.177 | 17% | 0.166 | C | C | . | . | trans | -118.7 | 19.5 | 177.9 | -61.6 | -178.6 | 179.3 | -87.5 | -1.7 | 112.1 | D41 F42 T44 W117 | R39-D41 PolarHBondContact O-N 3.43Å; R39-F42 HydrophobicContact CB-CD2 4.42Å; R39-F42 HydrophobicContact CB-CE2 4.17Å; R39-F42 HydrophobicContact CB-CZ 4.27Å; R39-F42 WeakPolarHBondContact CB-O 3.47Å; R39-F42 HydrophobicContact CG-CE2 4.44Å; R39-F42 PolarHBondContact N-O 3.38Å; R39-T44 PolarHBondContact NE-OG1 2.9Å; R39-W117 HydrophobicContact CG-CH2 4.1Å | ||
| 40 | G | 84.7 | Confident | 92 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 90.8 | -74.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D38 K82 N109 | D38-G40 PolarHBondContact OD1-N 3.42Å; G40-K82 WeakPolarHBondContact O-CE 3.07Å; G40-N109 VanDerWaalsContact CA-OD1 3.25Å; G40-N109 WeakPolarHBondContact CA-OD1 3.43Å |
| 41 | D | 82.8 | Confident | 92.3 | Very high | 117 Ų | 117 | 28.5 Ų | 28.5 | 63% | 0.626 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -83.3 | -26.9 | -176.4 | -64.8 | -31.8 | 0 | 0 | 0 | 112.4 | R39 | R39-D41 PolarHBondContact O-N 3.43Š|
| 42 | F | 88.6 | Confident | 92.5 | Very high | 40 Ų | 40 | 26 Ų | 26 | 18% | 0.175 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 169.1 | -179.1 | 63.5 | -90.2 | 0 | 0 | 0 | 111.5 | E7 R39 T44 V79 L80 | E7-F42 WeakPolarHBondContact OE2-CD1 3.43Å; R39-F42 HydrophobicContact CB-CD2 4.42Å; R39-F42 HydrophobicContact CB-CE2 4.17Å; R39-F42 HydrophobicContact CB-CZ 4.27Å; R39-F42 WeakPolarHBondContact CB-O 3.47Å; R39-F42 HydrophobicContact CG-CE2 4.44Å; R39-F42 PolarHBondContact N-O 3.38Å; F42-T44 HydrophobicContact CD2-CG2 3.87Å; F42-T44 HydrophobicContact CE2-CG2 3.63Å; F42-V79 HydrophobicContact CB-CG1 4.18Å; F42-V79 HydrophobicContact CD2-CG1 3.75Å; F42-V79 HydrophobicContact CE2-CG1 4.38Å; F42-V79 HydrophobicContact CE2-CG2 4.47Å; F42-V79 HydrophobicContact CG-CG1 4.08Å; F42-L80 WeakPolarHBondContact CB-O 3.47Å |
| 43 | Y | 92.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 23.1 Ų | 23.1 | 9% | 0.09 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 156.2 | 176.5 | -64.8 | -94 | 0 | 0 | 0 | 110.9 | F37 D38 L80 K82 F85 V102 | F37-Y43 CarbonylContact O-C 3.56Å; F37-Y43 VanDerWaalsContact O-CA 3.27Å; F37-Y43 WeakPolarHBondContact O-CA 3.36Å; D38-Y43 HydrophobicContact CB-CD1 3.95Å; D38-Y43 HydrophobicContact CB-CE1 3.61Å; Y43-L80 PolarHBondContact N-O 3.33Å; Y43-L80 PolarHBondContact O-N 3.04Å; Y43-K82 HydrophobicContact CE2-CG 4.35Å; Y43-F85 AromaticContact CD1-CD2 3.71Å; Y43-F85 HydrophobicContact CD1-CD2 3.71Å; Y43-F85 AromaticContact CD1-CE2 3.66Å; Y43-F85 HydrophobicContact CD1-CE2 3.66Å; Y43-F85 HydrophobicContact CD1-CG 4.25Å; Y43-F85 HydrophobicContact CD1-CZ 4.16Å; Y43-F85 HydrophobicContact CD2-CB 3.59Å; Y43-F85 AromaticContact CD2-CD1 3.96Å; Y43-F85 HydrophobicContact CD2-CD1 3.96Å; Y43-F85 AromaticContact CD2-CD2 3.78Å; Y43-F85 HydrophobicContact CD2-CD2 3.78Å; Y43-F85 HydrophobicContact CD2-CE2 4.41Å; Y43-F85 AromaticContact CD2-CG 3.51Å; Y43-F85 HydrophobicContact CD2-CG 3.51Å; Y43-F85 HydrophobicContact CE1-CD1 4.49Å; Y43-F85 HydrophobicContact CE1-CD2 4.15Å; Y43-F85 HydrophobicContact CE1-CE1 4.18Å; Y43-F85 AromaticContact CE1-CE2 3.81Å; Y43-F85 HydrophobicContact CE1-CE2 3.81Å; Y43-F85 HydrophobicContact CE1-CG 4.46Å; Y43-F85 AromaticContact CE1-CZ 3.81Å; Y43-F85 HydrophobicContact CE1-CZ 3.81Å; Y43-F85 HydrophobicContact CE2-CB 4.15Å; Y43-F85 AromaticContact CE2-CD1 3.69Å; Y43-F85 HydrophobicContact CE2-CD1 3.69Å; Y43-F85 HydrophobicContact CE2-CD2 4.22Å; Y43-F85 HydrophobicContact CE2-CE1 4.06Å; Y43-F85 AromaticContact CE2-CG 3.77Å; Y43-F85 HydrophobicContact CE2-CG 3.77Å; Y43-F85 HydrophobicContact CE2-CZ 4.45Å; Y43-F85 HydrophobicContact CG-CB 4.07Å; Y43-F85 HydrophobicContact CG-CD1 4.47Å; Y43-F85 AromaticContact CG-CD2 3.52Å; Y43-F85 HydrophobicContact CG-CD2 3.52Å; Y43-F85 AromaticContact CG-CE2 3.99Å; Y43-F85 HydrophobicContact CG-CE2 3.99Å; Y43-F85 AromaticContact CG-CG 3.78Å; Y43-F85 HydrophobicContact CG-CG 3.78Å; Y43-F85 AromaticContact CZ-CD1 3.99Å; Y43-F85 AromaticContact CZ-CE1 3.86Å; Y43-F85 AromaticContact CZ-CZ 3.99Å; Y43-V102 HydrophobicContact CD1-CG1 4.48Å; Y43-V102 HydrophobicContact CE1-CG1 4.25Å |
| 44 | T | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.6 | 174.4 | 58 | 0 | 0 | 0 | 0 | 112.8 | L9 F37 R39 F42 H46 V78 | L9-T44 HydrophobicContact CD1-CG2 3.63Å; F37-T44 PolarHBondContact N-O 3.07Å; F37-T44 PolarHBondContact O-N 3.24Å; R39-T44 PolarHBondContact NE-OG1 2.9Å; F42-T44 HydrophobicContact CD2-CG2 3.87Å; F42-T44 HydrophobicContact CE2-CG2 3.63Å; T44-H46 WeakPolarHBondContact CB-NE2 3.4Å; T44-H46 PolarHBondContact OG1-NE2 3.39Å; T44-V78 VanDerWaalsContact CA-O 3.28Å; T44-V78 WeakPolarHBondContact CA-O 3.3Å |
| 45 | A | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L36 D49 A50 A53 S77 V78 | L36-A45 HydrophobicContact CD2-CB 3.86Å; A45-D49 HydrophobicContact CB-CB 4.19Å; A45-A50 WeakPolarHBondContact O-CB 3.42Å; A45-A53 HydrophobicContact CB-CB 4.28Å; A45-S77 WeakPolarHBondContact O-CA 3.5Å; A45-V78 PolarHBondContact N-O 3.41Å; A45-V78 VanDerWaalsContact N-O 3.09Å; A45-V78 PolarHBondContact O-N 3.07Å |
| 46 | H | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151 | -173.5 | -57.5 | -75.8 | 0 | 0 | 0 | 113.1 | F19 F23 F37 T44 E48 D49 M67 L75 Q76 S77 | F19-H46 AromaticContact CE1-CD2 3.52Å; F19-H46 AromaticContact CE1-CE1 3.65Å; F19-H46 AromaticContact CE1-CG 3.92Å; F19-H46 AromaticContact CE1-ND1 3.98Å; F19-H46 AromaticContact CE1-NE2 3.34Å; F19-H46 VanDerWaalsContact CE1-NE2 3.34Å; F19-H46 WeakPolarHBondContact CE1-NE2 3.37Å; F19-H46 AromaticContact CZ-CD2 3.48Å; F19-H46 VanDerWaalsContact CZ-CD2 3.48Å; F19-H46 WeakPolarHBondContact CZ-CD2 3.31Å; F19-H46 AromaticContact CZ-NE2 3.37Å; F19-H46 WeakPolarHBondContact CZ-NE2 3.48Å; F23-H46 HydrophobicContact CD2-CB 4.28Å; F23-H46 HydrophobicContact CE1-CB 4.34Å; F23-H46 HydrophobicContact CE2-CB 3.82Å; F23-H46 HydrophobicContact CZ-CB 3.84Å; F37-H46 AromaticContact CD2-CD2 3.51Å; F37-H46 AromaticContact CE2-CD2 3.79Å; T44-H46 WeakPolarHBondContact CB-NE2 3.4Å; T44-H46 PolarHBondContact OG1-NE2 3.39Å; H46-E48 PolarHBondContact O-N 2.92Å; H46-D49 PolarHBondContact O-N 2.87Å; H46-M67 WeakPolarHBondContact CE1-CE 3.45Å; H46-L75 HydrophobicContact CB-CD1 4.23Å; H46-L75 HydrophobicContact CB-CD2 4.3Å; H46-L75 HydrophobicContact CB-CG 4.31Å; H46-Q76 CarbonylContact C-O 3.58Å; H46-Q76 WeakPolarHBondContact CA-O 3.29Å; H46-S77 PolarHBondContact CE1-OG 3.39Å; H46-S77 WeakPolarHBondContact ND1-CB 3.37Å; H46-S77 PolarHBondContact ND1-OG 3.5Å |
| 47 | G | 93.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -126.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D49 A50 L51 Q76 | G47-D49 VanDerWaalsContact C-N 3.27Å; G47-D49 PolarHBondContact O-N 3.04Å; G47-A50 WeakPolarHBondContact O-CB 3.47Å; G47-A50 PolarHBondContact O-N 3Å; G47-L51 PolarHBondContact O-N 3.17Å; G47-Q76 PolarHBondContact N-O 3.38Å |
| 48 | E | 93.8 | Very high | 92 | Very high | 96 Ų | 96 | 34.5 Ų | 34.5 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.2 | -39.4 | 177.3 | -169.6 | -177.1 | -160.2 | 0 | 0 | 112 | K29 T31 H46 A50 L51 L52 | K29-E48 IonicContact NZ-OE2 3.15Å; T31-E48 WeakPolarHBondContact CG2-OE1 3.2Å; T31-E48 PolarHBondContact OG1-OE1 2.79Å; H46-E48 PolarHBondContact O-N 2.92Å; E48-A50 VanDerWaalsContact C-N 3.3Å; E48-A50 PolarHBondContact O-N 3.09Å; E48-L51 WeakPolarHBondContact O-CB 3.34Å; E48-L51 PolarHBondContact O-N 3.48Å; E48-L52 PolarHBondContact O-N 3.26Å |
| 49 | D | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.4 | -30.1 | -179.2 | -63 | -18.9 | 0 | 0 | 0 | 111.9 | K29 V34 R35 A45 H46 G47 L52 A53 | K29-D49 WeakPolarHBondContact CE-OD1 3.25Å; K29-D49 WeakPolarHBondContact CE-OD2 3.44Å; K29-D49 IonicContact NZ-OD1 3.39Å; K29-D49 PolarHBondContact NZ-OD1 3.47Å; K29-D49 IonicContact NZ-OD2 2.69Å; K29-D49 PolarHBondContact NZ-OD2 3.17Å; V34-D49 HydrophobicContact CG1-CB 4.01Å; R35-D49 PolarHBondContact N-OD2 3.12Å; A45-D49 HydrophobicContact CB-CB 4.19Å; H46-D49 PolarHBondContact O-N 2.87Å; G47-D49 VanDerWaalsContact C-N 3.27Å; G47-D49 PolarHBondContact O-N 3.04Å; D49-L52 PolarHBondContact O-N 2.98Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 3.46Å |
| 50 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A45 G47 E48 L52 A53 A54 Q76 V78 | A45-A50 WeakPolarHBondContact O-CB 3.42Å; G47-A50 WeakPolarHBondContact O-CB 3.47Å; G47-A50 PolarHBondContact O-N 3Å; E48-A50 VanDerWaalsContact C-N 3.3Å; E48-A50 PolarHBondContact O-N 3.09Å; A50-L52 VanDerWaalsContact C-N 3.33Å; A50-A53 PolarHBondContact O-N 3.04Å; A50-A54 WeakPolarHBondContact O-CB 3.09Å; A50-A54 PolarHBondContact O-N 2.96Å; A50-Q76 HydrophobicContact CB-CB 3.97Å; A50-V78 HydrophobicContact CB-CB 4.45Å; A50-V78 HydrophobicContact CB-CG2 4.02Å; A50-V78 WeakPolarHBondContact O-CG2 3.49Å |
| 51 | L | 94.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.5 | -39 | 176.5 | -64.6 | 168.4 | 0 | 0 | 0 | 111.3 | G47 E48 R55 I64 | G47-L51 PolarHBondContact O-N 3.17Å; E48-L51 WeakPolarHBondContact O-CB 3.34Å; E48-L51 PolarHBondContact O-N 3.48Å; L51-R55 WeakPolarHBondContact O-CB 3.4Å; L51-R55 PolarHBondContact O-N 3.04Å; L51-R55 VanDerWaalsContact O-N 3.16Å; L51-I64 HydrophobicContact CD2-CD1 3.57Å; L51-I64 HydrophobicContact CG-CD1 4.48Å |
| 52 | L | 94.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 174.7 | -175.6 | 63.6 | 0 | 0 | 0 | 111 | V34 E48 D49 A50 A54 R55 E56 F88 L92 Y98 | V34-L52 HydrophobicContact CG2-CD2 3.79Å; E48-L52 PolarHBondContact O-N 3.26Å; D49-L52 PolarHBondContact O-N 2.98Å; A50-L52 VanDerWaalsContact C-N 3.33Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.42Å; L52-R55 PolarHBondContact O-N 3.19Å; L52-R55 VanDerWaalsContact O-N 3.15Å; L52-E56 HydrophobicContact CD1-CG 3.88Å; L52-E56 HydrophobicContact CG-CG 4.4Å; L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.42Å; L52-F88 HydrophobicContact CD2-CZ 4.22Å; L52-F88 HydrophobicContact CG-CE2 4.35Å; L52-F88 HydrophobicContact CG-CZ 4.07Å; L52-L92 HydrophobicContact CD2-CD2 3.86Å; L52-Y98 HydrophobicContact CD2-CD2 4.25Å; L52-Y98 HydrophobicContact CD2-CE2 4.02Å |
| 53 | A | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A45 D49 A50 R55 E56 V57 V78 F88 | A45-A53 HydrophobicContact CB-CB 4.28Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 3.46Å; A50-A53 PolarHBondContact O-N 3.04Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.41Å; A53-E56 PolarHBondContact O-N 3.13Å; A53-V57 WeakPolarHBondContact O-CB 3.42Å; A53-V57 PolarHBondContact O-N 2.9Å; A53-V78 HydrophobicContact CB-CB 4.46Å; A53-V78 HydrophobicContact CB-CG1 4.21Å; A53-F88 HydrophobicContact CB-CD1 4.49Å; A53-F88 HydrophobicContact CB-CE1 3.86Å; A53-F88 HydrophobicContact CB-CZ 3.92Å |
| 54 | A | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A50 L52 F58 K59 T60 V63 I64 V78 | A50-A54 WeakPolarHBondContact O-CB 3.09Å; A50-A54 PolarHBondContact O-N 2.96Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.42Å; A54-F58 CarbonylContact O-C 3.59Å; A54-F58 PolarHBondContact O-N 3.21Å; A54-K59 PolarHBondContact O-N 3.29Å; A54-T60 PolarHBondContact O-N 3.02Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; A54-I64 HydrophobicContact CB-CD1 3.8Å; A54-I64 HydrophobicContact CB-CG1 3.7Å; A54-V78 HydrophobicContact CB-CG2 4.23Å |
| 55 | R | 93.4 | Very high | 92.6 | Very high | 154 Ų | 154 | 46.5 Ų | 46.5 | 58% | 0.581 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.2 | -39.9 | 179.5 | -170.8 | -173.3 | -52.1 | -171.7 | 4.4 | 112.5 | L51 L52 A53 K59 | L51-R55 WeakPolarHBondContact O-CB 3.4Å; L51-R55 PolarHBondContact O-N 3.04Å; L51-R55 VanDerWaalsContact O-N 3.16Å; L52-R55 PolarHBondContact O-N 3.19Å; L52-R55 VanDerWaalsContact O-N 3.15Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 3.41Å; R55-K59 WeakPolarHBondContact O-CD 3.37Å |
| 56 | E | 90.9 | Very high | 92.3 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -89.5 | -44.6 | -171.8 | -62.2 | -47.7 | 143.7 | 0 | 0 | 113.3 | L52 A53 K59 F88 R96 | L52-E56 HydrophobicContact CD1-CG 3.88Å; L52-E56 HydrophobicContact CG-CG 4.4Å; L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.42Å; A53-E56 PolarHBondContact O-N 3.13Å; E56-K59 WeakPolarHBondContact O-CD 3.34Å; E56-K59 WeakPolarHBondContact O-CE 3.24Å; E56-K59 PolarHBondContact O-NZ 3.16Å; E56-K59 IonicContact OE2-NZ 3.92Å; E56-K59 PolarHBondContact OE2-NZ 3.46Å; E56-F88 HydrophobicContact CB-CD2 4.41Å; E56-F88 HydrophobicContact CB-CE2 4.05Å; E56-R96 IonicContact OE1-CZ 2.76Å; E56-R96 IonicContact OE1-NH2 3.82Å; E56-R96 PolarHBondContact OE1-NH2 3.12Å; E56-R96 IonicContact OE2-NH2 3.33Å; E56-R96 PolarHBondContact OE2-NH2 2.92Å |
| 57 | V | 91.5 | Very high | 91.8 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -51.1 | -176.2 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | A53 L80 N84 F88 | A53-V57 WeakPolarHBondContact O-CB 3.42Å; A53-V57 PolarHBondContact O-N 2.9Å; V57-L80 HydrophobicContact CG1-CD2 4.39Å; V57-L80 HydrophobicContact CG2-CD2 4.22Å; V57-N84 HydrophobicContact CG1-CB 4.04Å; V57-F88 HydrophobicContact CG2-CB 3.62Å; V57-F88 HydrophobicContact CG2-CD1 4.46Å; V57-F88 HydrophobicContact CG2-CD2 3.5Å; V57-F88 VanDerWaalsContact CG2-CD2 3.5Å; V57-F88 HydrophobicContact CG2-CE2 4.27Å; V57-F88 HydrophobicContact CG2-CG 3.62Å |
| 58 | F | 90.1 | Very high | 91.2 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 17% | 0.167 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -97.3 | -14.2 | -168.8 | -60.7 | -80.3 | 0 | 0 | 0 | 113.8 | A54 T60 V63 V78 V79 L80 N84 | A54-F58 CarbonylContact O-C 3.59Å; A54-F58 PolarHBondContact O-N 3.21Å; F58-T60 HydrophobicContact CB-CG2 4.11Å; F58-T60 WeakPolarHBondContact O-CG2 3.47Å; F58-T60 PolarHBondContact O-N 3.02Å; F58-T60 VanDerWaalsContact O-N 3.07Å; F58-V63 HydrophobicContact CB-CB 4.5Å; F58-V63 HydrophobicContact CB-CG1 3.89Å; F58-V63 HydrophobicContact CB-CG2 3.88Å; F58-V63 HydrophobicContact CD1-CG1 3.88Å; F58-V63 HydrophobicContact CD2-CB 4.38Å; F58-V63 HydrophobicContact CD2-CG1 4.35Å; F58-V63 HydrophobicContact CD2-CG2 3.79Å; F58-V63 HydrophobicContact CE1-CG1 4.5Å; F58-V63 HydrophobicContact CG-CB 4.29Å; F58-V63 HydrophobicContact CG-CG1 3.78Å; F58-V63 HydrophobicContact CG-CG2 3.91Å; F58-V78 HydrophobicContact CD2-CG1 4.09Å; F58-V78 HydrophobicContact CE2-CG1 3.55Å; F58-V78 HydrophobicContact CZ-CG1 4.47Å; F58-V79 WeakPolarHBondContact CZ-O 3.34Å; F58-L80 HydrophobicContact CE2-CD2 3.76Å; F58-L80 HydrophobicContact CZ-CD2 4.16Å; F58-N84 WeakPolarHBondContact CE1-ND2 3.35Å |
| 59 | K | 92.5 | Very high | 90.5 | Very high | 149 Ų | 149 | 51.1 Ų | 51.1 | 65% | 0.648 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 51.7 | 27.6 | -176 | -48.9 | -50.1 | -168.1 | -177.5 | 0 | 113.1 | A54 R55 E56 | A54-K59 PolarHBondContact O-N 3.29Å; R55-K59 WeakPolarHBondContact O-CD 3.37Å; E56-K59 WeakPolarHBondContact O-CD 3.34Å; E56-K59 WeakPolarHBondContact O-CE 3.24Å; E56-K59 PolarHBondContact O-NZ 3.16Å; E56-K59 IonicContact OE2-NZ 3.92Å; E56-K59 PolarHBondContact OE2-NZ 3.46Å |
| 60 | T | 89.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -153.9 | 147.1 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | A54 F58 G62 V63 | A54-T60 PolarHBondContact O-N 3.02Å; F58-T60 HydrophobicContact CB-CG2 4.11Å; F58-T60 WeakPolarHBondContact O-CG2 3.47Å; F58-T60 PolarHBondContact O-N 3.02Å; F58-T60 VanDerWaalsContact O-N 3.07Å; T60-G62 VanDerWaalsContact C-N 3.33Å; T60-G62 PolarHBondContact OG1-N 3.45Å; T60-V63 HydrophobicContact CG2-CG1 4.03Å; T60-V63 WeakPolarHBondContact O-CG2 3.4Å |
| 61 | Q | 89.6 | Confident | 88 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -80.5 | -13 | 174.7 | -65.7 | -66.3 | -32.3 | 0 | 0 | 112.9 | V63 I64 | Q61-V63 PolarHBondContact O-N 2.95Å; Q61-V63 VanDerWaalsContact O-N 3.12Å; Q61-I64 PolarHBondContact O-N 2.71Å; Q61-I64 VanDerWaalsContact O-N 3.11Å |
| 62 | G | 87.9 | Confident | 86.7 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -65.9 | -15.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T60 K65 | T60-G62 VanDerWaalsContact C-N 3.33Å; T60-G62 PolarHBondContact OG1-N 3.45Å; G62-K65 PolarHBondContact O-NZ 3.38Å |
| 63 | V | 90.5 | Very high | 85.8 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -80.9 | -15.7 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | P5 A54 F58 T60 Q61 K65 V78 | P5-V63 HydrophobicContact CB-CG1 4.39Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; F58-V63 HydrophobicContact CB-CB 4.5Å; F58-V63 HydrophobicContact CB-CG1 3.89Å; F58-V63 HydrophobicContact CB-CG2 3.88Å; F58-V63 HydrophobicContact CD1-CG1 3.88Å; F58-V63 HydrophobicContact CD2-CB 4.38Å; F58-V63 HydrophobicContact CD2-CG1 4.35Å; F58-V63 HydrophobicContact CD2-CG2 3.79Å; F58-V63 HydrophobicContact CE1-CG1 4.5Å; F58-V63 HydrophobicContact CG-CB 4.29Å; F58-V63 HydrophobicContact CG-CG1 3.78Å; F58-V63 HydrophobicContact CG-CG2 3.91Å; T60-V63 HydrophobicContact CG2-CG1 4.03Å; T60-V63 WeakPolarHBondContact O-CG2 3.4Å; Q61-V63 PolarHBondContact O-N 2.95Å; Q61-V63 VanDerWaalsContact O-N 3.12Å; V63-K65 PolarHBondContact O-N 3.26Å; V63-V78 HydrophobicContact CG2-CG1 4.42Å; V63-V78 HydrophobicContact CG2-CG2 4.26Å |
| 64 | I | 92.7 | Very high | 85.2 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | trans | -73.3 | 124.8 | -178.9 | -57.2 | -168.5 | 0 | 0 | 0 | 109.9 | L51 A54 Q61 Y66 Q76 V78 | L51-I64 HydrophobicContact CD2-CD1 3.57Å; L51-I64 HydrophobicContact CG-CD1 4.48Å; A54-I64 HydrophobicContact CB-CD1 3.8Å; A54-I64 HydrophobicContact CB-CG1 3.7Å; Q61-I64 PolarHBondContact O-N 2.71Å; Q61-I64 VanDerWaalsContact O-N 3.11Å; I64-Y66 HydrophobicContact CG2-CE2 4.35Å; I64-Q76 HydrophobicContact CG2-CB 3.72Å; I64-Q76 HydrophobicContact CG2-CG 3.91Å; I64-V78 HydrophobicContact CG1-CG2 3.87Å | ||
| 65 | K | 90.2 | Very high | 85 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 162.3 | 170.5 | -54.9 | -55.1 | 174.1 | -160.3 | 0 | 109.7 | G62 V63 Q76 S77 | G62-K65 PolarHBondContact O-NZ 3.38Å; V63-K65 PolarHBondContact O-N 3.26Å; K65-Q76 CarbonylContact O-C 3.55Å; K65-Q76 WeakPolarHBondContact O-CA 3.28Å; K65-S77 PolarHBondContact N-O 3.42Å; K65-S77 PolarHBondContact O-N 3.01Å |
| 66 | Y | 88.9 | Confident | 85.1 | Confident | 124 Ų | 124 | 64.7 Ų | 64.7 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.3 | -178.9 | -65.8 | -91.8 | 0 | 0 | 0 | 110 | I64 K73 L75 Q76 | I64-Y66 HydrophobicContact CG2-CE2 4.35Å; Y66-K73 WeakPolarHBondContact CB-O 3.34Å; Y66-K73 WeakPolarHBondContact O-CD 3.41Å; Y66-L75 WeakPolarHBondContact CA-O 3.23Å; Y66-Q76 HydrophobicContact CD1-CG 4.36Å; Y66-Q76 HydrophobicContact CE1-CG 3.73Å |
| 67 | M | 84.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.3 | 175.1 | -57.4 | -170.5 | -39.7 | 0 | 0 | 110.9 | L9 L11 E16 F19 V20 H46 N74 L75 S77 | L9-M67 HydrophobicContact CD1-SD 4.48Å; L9-M67 HydrophobicContact CD2-SD 3.56Å; L9-M67 VanDerWaalsContact CD2-SD 3.56Å; L11-M67 HydrophobicContact CD1-SD 4.09Å; E16-M67 HydrophobicContact CG-CB 3.98Å; E16-M67 HydrophobicContact CG-CG 4.38Å; E16-M67 HydrophobicContact CG-SD 4.48Å; E16-M67 WeakPolarHBondContact OE1-CA 3.26Å; E16-M67 WeakPolarHBondContact OE1-CB 3.25Å; F19-M67 HydrophobicContact CD1-CE 3.53Å; F19-M67 HydrophobicContact CE1-CE 3.75Å; V20-M67 HydrophobicContact CG2-CB 4.33Å; H46-M67 WeakPolarHBondContact CE1-CE 3.45Å; M67-N74 PolarHBondContact O-N 3.22Å; M67-L75 HydrophobicContact CE-CD2 4.01Å; M67-L75 PolarHBondContact N-O 2.86Å; M67-L75 WeakPolarHBondContact O-CB 3.36Å; M67-L75 PolarHBondContact O-N 2.83Å; M67-S77 WeakPolarHBondContact CE-OG 3.47Å; M67-S77 WeakPolarHBondContact CG-OG 3.33Å |
| 68 | G | 80.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 152.6 | -174.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | E16 | E16-G68 PolarHBondContact OE1-N 3.12Š|
| 69 | P | 78.5 | Confident | 85.5 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -54.8 | 148.9 | 176 | -20.9 | 31.2 | 0 | 0 | 0 | 111.6 | G71 A72 | P69-G71 PolarHBondContact O-N 3.27Å; P69-A72 CarbonylContact O-C 3.5Å; P69-A72 PolarHBondContact O-N 2.64Å | ||
| 70 | A | 70.8 | Confident | 85.5 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 92% | 0.917 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -17.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 71 | G | 67.3 | Low | 85.6 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 85% | 0.845 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -12.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | P69 | P69-G71 PolarHBondContact O-N 3.27Š|
| 72 | A | 68 | Low | 85.5 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -159.3 | 83.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P69 N74 | P69-A72 CarbonylContact O-C 3.5Å; P69-A72 PolarHBondContact O-N 2.64Å; A72-N74 PolarHBondContact O-N 2.76Å | ||
| 73 | K | 75.6 | Confident | 85.3 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | trans | -83 | 97 | 175.1 | -62.4 | -162.9 | 174.1 | -138 | 0 | 109.9 | E16 Y66 | E16-K73 IonicContact OE1-NZ 3.82Å; E16-K73 PolarHBondContact OE1-NZ 2.74Å; E16-K73 IonicContact OE2-NZ 2.65Å; E16-K73 PolarHBondContact OE2-NZ 2.81Å; Y66-K73 WeakPolarHBondContact CB-O 3.34Å; Y66-K73 WeakPolarHBondContact O-CD 3.41Å | ||
| 74 | N | 81.4 | Confident | 85.3 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | trans | -111.7 | -9.6 | -173 | -67.9 | -19.2 | 0 | 0 | 0 | 114.3 | M67 A72 Q76 | M67-N74 PolarHBondContact O-N 3.22Å; A72-N74 PolarHBondContact O-N 2.76Å; N74-Q76 PolarHBondContact O-N 2.85Å; N74-Q76 PolarHBondContact O-OE1 3.29Å | ||
| 75 | L | 90.6 | Very high | 85.2 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 107.5 | -178 | -176 | 63.6 | 0 | 0 | 0 | 111.2 | F19 V20 F23 H46 Y66 M67 S77 | F19-L75 HydrophobicContact CE1-CD2 4.46Å; V20-L75 HydrophobicContact CG2-CD2 3.9Å; F23-L75 HydrophobicContact CD1-CD1 3.9Å; F23-L75 HydrophobicContact CD1-CD2 4.16Å; F23-L75 HydrophobicContact CE1-CD1 3.77Å; F23-L75 HydrophobicContact CG-CD2 4.47Å; H46-L75 HydrophobicContact CB-CD1 4.23Å; H46-L75 HydrophobicContact CB-CD2 4.3Å; H46-L75 HydrophobicContact CB-CG 4.31Å; Y66-L75 WeakPolarHBondContact CA-O 3.23Å; M67-L75 HydrophobicContact CE-CD2 4.01Å; M67-L75 PolarHBondContact N-O 2.86Å; M67-L75 WeakPolarHBondContact O-CB 3.36Å; M67-L75 PolarHBondContact O-N 2.83Å; L75-S77 PolarHBondContact O-N 3.46Å; L75-S77 PolarHBondContact O-OG 3.33Å |
| 76 | Q | 93.9 | Very high | 85 | Confident | 54 Ų | 54 | 56 Ų | 56 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 136 | 172.6 | -62.5 | 81.4 | 2.6 | 0 | 0 | 110 | H46 G47 A50 I64 K65 Y66 N74 | H46-Q76 CarbonylContact C-O 3.58Å; H46-Q76 WeakPolarHBondContact CA-O 3.29Å; G47-Q76 PolarHBondContact N-O 3.38Å; A50-Q76 HydrophobicContact CB-CB 3.97Å; I64-Q76 HydrophobicContact CG2-CB 3.72Å; I64-Q76 HydrophobicContact CG2-CG 3.91Å; K65-Q76 CarbonylContact O-C 3.55Å; K65-Q76 WeakPolarHBondContact O-CA 3.28Å; Y66-Q76 HydrophobicContact CD1-CG 4.36Å; Y66-Q76 HydrophobicContact CE1-CG 3.73Å; N74-Q76 PolarHBondContact O-N 2.85Å; N74-Q76 PolarHBondContact O-OE1 3.29Å |
| 77 | S | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 134.1 | -175.4 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | A45 H46 K65 M67 L75 | A45-S77 WeakPolarHBondContact O-CA 3.5Å; H46-S77 PolarHBondContact CE1-OG 3.39Å; H46-S77 WeakPolarHBondContact ND1-CB 3.37Å; H46-S77 PolarHBondContact ND1-OG 3.5Å; K65-S77 PolarHBondContact N-O 3.42Å; K65-S77 PolarHBondContact O-N 3.01Å; M67-S77 WeakPolarHBondContact CE-OG 3.47Å; M67-S77 WeakPolarHBondContact CG-OG 3.33Å; L75-S77 PolarHBondContact O-N 3.46Å; L75-S77 PolarHBondContact O-OG 3.33Å |
| 78 | V | 95.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 109.6 | T44 A45 A50 A53 A54 F58 V63 I64 | T44-V78 VanDerWaalsContact CA-O 3.28Å; T44-V78 WeakPolarHBondContact CA-O 3.3Å; A45-V78 PolarHBondContact N-O 3.41Å; A45-V78 VanDerWaalsContact N-O 3.09Å; A45-V78 PolarHBondContact O-N 3.07Å; A50-V78 HydrophobicContact CB-CB 4.45Å; A50-V78 HydrophobicContact CB-CG2 4.02Å; A50-V78 WeakPolarHBondContact O-CG2 3.49Å; A53-V78 HydrophobicContact CB-CB 4.46Å; A53-V78 HydrophobicContact CB-CG1 4.21Å; A54-V78 HydrophobicContact CB-CG2 4.23Å; F58-V78 HydrophobicContact CD2-CG1 4.09Å; F58-V78 HydrophobicContact CE2-CG1 3.55Å; F58-V78 HydrophobicContact CZ-CG1 4.47Å; V63-V78 HydrophobicContact CG2-CG1 4.42Å; V63-V78 HydrophobicContact CG2-CG2 4.26Å; I64-V78 HydrophobicContact CG1-CG2 3.87Å |
| 79 | V | 93.5 | Very high | 85.6 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.5 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | E7 L9 F42 F58 | E7-V79 HydrophobicContact CB-CG1 4.47Å; L9-V79 HydrophobicContact CB-CG2 4.02Å; L9-V79 HydrophobicContact CD1-CG2 3.65Å; L9-V79 HydrophobicContact CG-CG2 4.18Å; F42-V79 HydrophobicContact CB-CG1 4.18Å; F42-V79 HydrophobicContact CD2-CG1 3.75Å; F42-V79 HydrophobicContact CE2-CG1 4.38Å; F42-V79 HydrophobicContact CE2-CG2 4.47Å; F42-V79 HydrophobicContact CG-CG1 4.08Å; F58-V79 WeakPolarHBondContact CZ-O 3.34Å |
| 80 | L | 91.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.4 | 174.3 | -65.6 | 168.8 | 0 | 0 | 0 | 108.2 | L36 F42 Y43 V57 F58 N84 F85 F88 | L36-L80 HydrophobicContact CD2-CD1 4.01Å; F42-L80 WeakPolarHBondContact CB-O 3.47Å; Y43-L80 PolarHBondContact N-O 3.33Å; Y43-L80 PolarHBondContact O-N 3.04Å; V57-L80 HydrophobicContact CG1-CD2 4.39Å; V57-L80 HydrophobicContact CG2-CD2 4.22Å; F58-L80 HydrophobicContact CE2-CD2 3.76Å; F58-L80 HydrophobicContact CZ-CD2 4.16Å; L80-N84 HydrophobicContact CD2-CB 4.1Å; L80-F85 HydrophobicContact CB-CB 4.29Å; L80-F88 HydrophobicContact CD1-CD1 3.92Å; L80-F88 HydrophobicContact CD1-CE1 4.48Å |
| 81 | S | 91.3 | Very high | 86.6 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 164 | 165.8 | 65 | 0 | 0 | 0 | 0 | 110 | M83 N84 F85 | S81-M83 PolarHBondContact O-N 2.73Å; S81-N84 PolarHBondContact O-N 2.92Å; S81-N84 VanDerWaalsContact O-N 3.11Å; S81-N84 PolarHBondContact OG-N 3.24Å; S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 2.9Å |
| 82 | K | 86.9 | Confident | 87.6 | Confident | 112 Ų | 112 | 45.4 Ų | 45.4 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -49.2 | -55.3 | 175.7 | -67.1 | -170.8 | 177.1 | 179.5 | 0 | 111.5 | G40 Y43 N84 F85 E86 | G40-K82 WeakPolarHBondContact O-CE 3.07Å; Y43-K82 HydrophobicContact CE2-CG 4.35Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 PolarHBondContact O-N 3.01Å; K82-F85 WeakPolarHBondContact O-CA 3.27Å; K82-F85 VanDerWaalsContact O-CB 3.32Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 2.75Å; K82-E86 VanDerWaalsContact O-CG 3.24Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.06Å |
| 83 | M | 85.4 | Confident | 88.4 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 73% | 0.729 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -55.2 | -43 | 178.1 | -67.1 | -171.3 | -69.8 | 0 | 0 | 113.9 | S81 E86 S87 | S81-M83 PolarHBondContact O-N 2.73Å; M83-E86 PolarHBondContact O-N 3.08Å; M83-S87 WeakPolarHBondContact O-CB 3.44Å; M83-S87 PolarHBondContact O-N 2.95Å |
| 84 | N | 89.7 | Confident | 88.6 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -35.9 | 179.1 | -76.6 | -11.7 | 0 | 0 | 0 | 111.8 | V57 F58 L80 S81 K82 F88 | V57-N84 HydrophobicContact CG1-CB 4.04Å; F58-N84 WeakPolarHBondContact CE1-ND2 3.35Å; L80-N84 HydrophobicContact CD2-CB 4.1Å; S81-N84 PolarHBondContact O-N 2.92Å; S81-N84 VanDerWaalsContact O-N 3.11Å; S81-N84 PolarHBondContact OG-N 3.24Å; K82-N84 VanDerWaalsContact C-N 3.34Å; K82-N84 PolarHBondContact O-N 3.01Å; N84-F88 WeakPolarHBondContact O-CB 3.46Å; N84-F88 PolarHBondContact O-N 2.96Å |
| 85 | F | 90.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 173.2 | 163.8 | -94 | 0 | 0 | 0 | 111 | L36 Y43 L80 S81 K82 S87 F88 V89 V102 Y121 F131 I134 | L36-F85 HydrophobicContact CB-CE2 4.15Å; L36-F85 HydrophobicContact CD1-CD2 3.65Å; L36-F85 HydrophobicContact CD1-CE2 3.47Å; L36-F85 VanDerWaalsContact CD1-CE2 3.47Å; L36-F85 HydrophobicContact CG-CE2 4.43Å; Y43-F85 AromaticContact CD1-CD2 3.71Å; Y43-F85 HydrophobicContact CD1-CD2 3.71Å; Y43-F85 AromaticContact CD1-CE2 3.66Å; Y43-F85 HydrophobicContact CD1-CE2 3.66Å; Y43-F85 HydrophobicContact CD1-CG 4.25Å; Y43-F85 HydrophobicContact CD1-CZ 4.16Å; Y43-F85 HydrophobicContact CD2-CB 3.59Å; Y43-F85 AromaticContact CD2-CD1 3.96Å; Y43-F85 HydrophobicContact CD2-CD1 3.96Å; Y43-F85 AromaticContact CD2-CD2 3.78Å; Y43-F85 HydrophobicContact CD2-CD2 3.78Å; Y43-F85 HydrophobicContact CD2-CE2 4.41Å; Y43-F85 AromaticContact CD2-CG 3.51Å; Y43-F85 HydrophobicContact CD2-CG 3.51Å; Y43-F85 HydrophobicContact CE1-CD1 4.49Å; Y43-F85 HydrophobicContact CE1-CD2 4.15Å; Y43-F85 HydrophobicContact CE1-CE1 4.18Å; Y43-F85 AromaticContact CE1-CE2 3.81Å; Y43-F85 HydrophobicContact CE1-CE2 3.81Å; Y43-F85 HydrophobicContact CE1-CG 4.46Å; Y43-F85 AromaticContact CE1-CZ 3.81Å; Y43-F85 HydrophobicContact CE1-CZ 3.81Å; Y43-F85 HydrophobicContact CE2-CB 4.15Å; Y43-F85 AromaticContact CE2-CD1 3.69Å; Y43-F85 HydrophobicContact CE2-CD1 3.69Å; Y43-F85 HydrophobicContact CE2-CD2 4.22Å; Y43-F85 HydrophobicContact CE2-CE1 4.06Å; Y43-F85 AromaticContact CE2-CG 3.77Å; Y43-F85 HydrophobicContact CE2-CG 3.77Å; Y43-F85 HydrophobicContact CE2-CZ 4.45Å; Y43-F85 HydrophobicContact CG-CB 4.07Å; Y43-F85 HydrophobicContact CG-CD1 4.47Å; Y43-F85 AromaticContact CG-CD2 3.52Å; Y43-F85 HydrophobicContact CG-CD2 3.52Å; Y43-F85 AromaticContact CG-CE2 3.99Å; Y43-F85 HydrophobicContact CG-CE2 3.99Å; Y43-F85 AromaticContact CG-CG 3.78Å; Y43-F85 HydrophobicContact CG-CG 3.78Å; Y43-F85 AromaticContact CZ-CD1 3.99Å; Y43-F85 AromaticContact CZ-CE1 3.86Å; Y43-F85 AromaticContact CZ-CZ 3.99Å; L80-F85 HydrophobicContact CB-CB 4.29Å; S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 2.9Å; K82-F85 WeakPolarHBondContact O-CA 3.27Å; K82-F85 VanDerWaalsContact O-CB 3.32Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 2.75Å; F85-S87 PolarHBondContact O-N 3.32Å; F85-F88 PolarHBondContact O-N 3.05Å; F85-V89 HydrophobicContact CD2-CG2 4.07Å; F85-V89 HydrophobicContact CE1-CG2 4.49Å; F85-V89 HydrophobicContact CE2-CG2 3.83Å; F85-V89 HydrophobicContact CZ-CG2 4.08Å; F85-V89 WeakPolarHBondContact O-CB 3.4Å; F85-V89 VanDerWaalsContact O-CG2 3.3Å; F85-V89 WeakPolarHBondContact O-CG2 3.36Å; F85-V89 PolarHBondContact O-N 3.24Å; F85-V102 HydrophobicContact CE2-CG2 4.3Å; F85-V102 HydrophobicContact CZ-CG2 4.33Å; F85-Y121 HydrophobicContact CZ-CE2 4.37Å; F85-F131 HydrophobicContact CE1-CE1 4.08Å; F85-F131 AromaticContact CZ-CE1 3.63Å; F85-F131 HydrophobicContact CZ-CE1 3.63Å; F85-F131 HydrophobicContact CZ-CZ 4.4Å; F85-I134 HydrophobicContact CE1-CD1 4.42Å; F85-I134 HydrophobicContact CE1-CG2 4.35Å |
| 86 | E | 86.6 | Confident | 88.2 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 179.6 | -44.3 | -169.6 | 147.4 | 0 | 0 | 111.1 | K82 M83 F88 V89 K90 I134 | K82-E86 VanDerWaalsContact O-CG 3.24Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.06Å; M83-E86 PolarHBondContact O-N 3.08Å; E86-F88 VanDerWaalsContact C-N 3.32Å; E86-F88 PolarHBondContact O-N 3.49Å; E86-V89 PolarHBondContact O-N 2.94Å; E86-K90 WeakPolarHBondContact O-CB 3.42Å; E86-K90 PolarHBondContact O-N 3.49Å; E86-I134 HydrophobicContact CB-CG2 3.7Å; E86-I134 HydrophobicContact CG-CG2 3.49Å; E86-I134 VanDerWaalsContact CG-CG2 3.49Å |
| 87 | S | 85.9 | Confident | 87.8 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 178 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | M83 F85 D91 | M83-S87 WeakPolarHBondContact O-CB 3.44Å; M83-S87 PolarHBondContact O-N 2.95Å; F85-S87 PolarHBondContact O-N 3.32Å; S87-D91 PolarHBondContact O-N 2.99Å; S87-D91 VanDerWaalsContact O-N 3.17Å |
| 88 | F | 91 | Very high | 87.6 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71 | -45.7 | 179.6 | -175.9 | -136.8 | 0 | 0 | 0 | 111.4 | V34 L36 L52 A53 E56 V57 L80 N84 F85 E86 K90 D91 L92 | V34-F88 HydrophobicContact CG1-CE1 4.22Å; L36-F88 HydrophobicContact CD2-CD1 4.46Å; L36-F88 HydrophobicContact CD2-CE1 4.27Å; L52-F88 HydrophobicContact CD2-CZ 4.22Å; L52-F88 HydrophobicContact CG-CE2 4.35Å; L52-F88 HydrophobicContact CG-CZ 4.07Å; A53-F88 HydrophobicContact CB-CD1 4.49Å; A53-F88 HydrophobicContact CB-CE1 3.86Å; A53-F88 HydrophobicContact CB-CZ 3.92Å; E56-F88 HydrophobicContact CB-CD2 4.41Å; E56-F88 HydrophobicContact CB-CE2 4.05Å; V57-F88 HydrophobicContact CG2-CB 3.62Å; V57-F88 HydrophobicContact CG2-CD1 4.46Å; V57-F88 HydrophobicContact CG2-CD2 3.5Å; V57-F88 VanDerWaalsContact CG2-CD2 3.5Å; V57-F88 HydrophobicContact CG2-CE2 4.27Å; V57-F88 HydrophobicContact CG2-CG 3.62Å; L80-F88 HydrophobicContact CD1-CD1 3.92Å; L80-F88 HydrophobicContact CD1-CE1 4.48Å; N84-F88 WeakPolarHBondContact O-CB 3.46Å; N84-F88 PolarHBondContact O-N 2.96Å; F85-F88 PolarHBondContact O-N 3.05Å; E86-F88 VanDerWaalsContact C-N 3.32Å; E86-F88 PolarHBondContact O-N 3.49Å; F88-K90 PolarHBondContact O-N 3.28Å; F88-D91 PolarHBondContact O-N 2.9Å; F88-L92 HydrophobicContact CD1-CD1 4.02Å; F88-L92 HydrophobicContact CD2-CD1 4.33Å; F88-L92 HydrophobicContact CD2-CG 4.15Å; F88-L92 HydrophobicContact CE1-CD1 3.75Å; F88-L92 HydrophobicContact CE1-CG 4.5Å; F88-L92 HydrophobicContact CE2-CD1 4.07Å; F88-L92 HydrophobicContact CE2-CD2 3.89Å; F88-L92 HydrophobicContact CE2-CG 3.92Å; F88-L92 HydrophobicContact CG-CD1 4.31Å; F88-L92 HydrophobicContact CZ-CD1 3.78Å; F88-L92 HydrophobicContact CZ-CD2 4.04Å; F88-L92 HydrophobicContact CZ-CG 4.11Å; F88-L92 VanDerWaalsContact O-CG 3.29Å; F88-L92 WeakPolarHBondContact O-CG 3.39Å; F88-L92 PolarHBondContact O-N 3.06Å |
| 89 | V | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L36 F85 E86 L92 L93 V100 F131 L135 | L36-V89 HydrophobicContact CD1-CG2 3.69Å; F85-V89 HydrophobicContact CD2-CG2 4.07Å; F85-V89 HydrophobicContact CE1-CG2 4.49Å; F85-V89 HydrophobicContact CE2-CG2 3.83Å; F85-V89 HydrophobicContact CZ-CG2 4.08Å; F85-V89 WeakPolarHBondContact O-CB 3.4Å; F85-V89 VanDerWaalsContact O-CG2 3.3Å; F85-V89 WeakPolarHBondContact O-CG2 3.36Å; F85-V89 PolarHBondContact O-N 3.24Å; E86-V89 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 2.85Å; V89-L93 HydrophobicContact CG1-CD1 3.43Å; V89-L93 VanDerWaalsContact CG1-CD1 3.43Å; V89-L93 HydrophobicContact CG1-CG 4.15Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.36Å; V89-V100 HydrophobicContact CG1-CG2 4.31Å; V89-V100 HydrophobicContact CG2-CG1 4.27Å; V89-F131 HydrophobicContact CB-CE1 4.45Å; V89-F131 HydrophobicContact CG1-CD1 3.77Å; V89-F131 HydrophobicContact CG1-CE1 3.73Å; V89-F131 HydrophobicContact CG1-CG 4.39Å; V89-F131 HydrophobicContact CG1-CZ 4.31Å; V89-F131 HydrophobicContact CG2-CE1 4.17Å; V89-L135 HydrophobicContact CG1-CD2 4.19Å |
| 90 | K | 84.6 | Confident | 87.3 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.239 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 174 | -171.6 | 175.7 | 178.5 | 174.5 | 0 | 112.6 | E86 F88 L94 L135 N139 | E86-K90 WeakPolarHBondContact O-CB 3.42Å; E86-K90 PolarHBondContact O-N 3.49Å; F88-K90 PolarHBondContact O-N 3.28Å; K90-L94 HydrophobicContact CG-CD1 3.75Å; K90-L94 HydrophobicContact CG-CG 4.44Å; K90-L94 WeakPolarHBondContact O-CB 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.4Å; K90-L94 PolarHBondContact O-N 2.95Å; K90-L135 VanDerWaalsContact CA-CD2 3.41Å; K90-L135 HydrophobicContact CB-CD2 3.54Å; K90-L135 HydrophobicContact CG-CD2 4.12Å; K90-N139 PolarHBondContact NZ-ND2 3.35Å |
| 91 | D | 85.9 | Confident | 87.4 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.4 | -177.8 | 58.2 | 0 | 0 | 0 | 111.6 | S87 F88 L93 V95 R96 | S87-D91 PolarHBondContact O-N 2.99Å; S87-D91 VanDerWaalsContact O-N 3.17Å; F88-D91 PolarHBondContact O-N 2.9Å; D91-L93 PolarHBondContact O-N 3.23Å; D91-V95 WeakPolarHBondContact O-CA 3.44Å; D91-V95 VanDerWaalsContact O-CB 3.3Å; D91-V95 WeakPolarHBondContact O-CB 3.43Å; D91-V95 PolarHBondContact O-N 2.87Å; D91-V95 WeakPolarHBondContact OD1-CB 3.45Å; D91-R96 PolarHBondContact O-N 3.45Å |
| 92 | L | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 179.1 | -69.3 | 176 | 0 | 0 | 0 | 112.3 | V34 L52 F88 V89 R96 Q97 Y98 V100 | V34-L92 HydrophobicContact CB-CD1 3.92Å; V34-L92 HydrophobicContact CG1-CD1 3.91Å; V34-L92 HydrophobicContact CG2-CD1 3.9Å; V34-L92 HydrophobicContact CG2-CD2 4.01Å; L52-L92 HydrophobicContact CD2-CD2 3.86Å; F88-L92 HydrophobicContact CD1-CD1 4.02Å; F88-L92 HydrophobicContact CD2-CD1 4.33Å; F88-L92 HydrophobicContact CD2-CG 4.15Å; F88-L92 HydrophobicContact CE1-CD1 3.75Å; F88-L92 HydrophobicContact CE1-CG 4.5Å; F88-L92 HydrophobicContact CE2-CD1 4.07Å; F88-L92 HydrophobicContact CE2-CD2 3.89Å; F88-L92 HydrophobicContact CE2-CG 3.92Å; F88-L92 HydrophobicContact CG-CD1 4.31Å; F88-L92 HydrophobicContact CZ-CD1 3.78Å; F88-L92 HydrophobicContact CZ-CD2 4.04Å; F88-L92 HydrophobicContact CZ-CG 4.11Å; F88-L92 VanDerWaalsContact O-CG 3.29Å; F88-L92 WeakPolarHBondContact O-CG 3.39Å; F88-L92 PolarHBondContact O-N 3.06Å; V89-L92 PolarHBondContact O-N 2.85Å; L92-R96 CarbonylContact O-C 3.18Å; L92-Q97 PolarHBondContact O-N 2.94Å; L92-Y98 HydrophobicContact CD2-CD2 3.95Å; L92-Y98 HydrophobicContact CD2-CG 4.46Å; L92-Y98 PolarHBondContact O-N 3.18Å; L92-V100 HydrophobicContact CB-CG2 4.2Å; L92-V100 HydrophobicContact CD1-CG2 3.93Å |
| 93 | L | 85 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.4 | -41.9 | -174 | -64 | 169.1 | 0 | 0 | 0 | 112.7 | V89 D91 Y98 V100 A123 L128 L135 | V89-L93 HydrophobicContact CG1-CD1 3.43Å; V89-L93 VanDerWaalsContact CG1-CD1 3.43Å; V89-L93 HydrophobicContact CG1-CG 4.15Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.36Å; D91-L93 PolarHBondContact O-N 3.23Å; L93-Y98 WeakPolarHBondContact CD2-O 3.4Å; L93-V100 HydrophobicContact CD2-CG2 4.14Å; L93-V100 HydrophobicContact CG-CG2 4.32Å; L93-A123 HydrophobicContact CD1-CB 3.82Å; L93-A123 HydrophobicContact CD2-CB 3.84Å; L93-L128 HydrophobicContact CB-CD2 4.24Å; L93-L128 HydrophobicContact CD1-CD2 3.7Å; L93-L128 HydrophobicContact CD2-CD2 4.48Å; L93-L128 HydrophobicContact CG-CD2 4.37Å; L93-L135 HydrophobicContact CD1-CD1 3.69Å |
| 94 | L | 79.7 | Confident | 88 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -93.3 | -30.3 | -171.2 | -57.3 | -177.4 | 0 | 0 | 0 | 113.7 | K90 L128 | K90-L94 HydrophobicContact CG-CD1 3.75Å; K90-L94 HydrophobicContact CG-CG 4.44Å; K90-L94 WeakPolarHBondContact O-CB 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.4Å; K90-L94 PolarHBondContact O-N 2.95Å; L94-L128 HydrophobicContact CD2-CD1 4.41Å |
| 95 | V | 80.9 | Confident | 88 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -55.3 | -176.2 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | D91 Q97 | D91-V95 WeakPolarHBondContact O-CA 3.44Å; D91-V95 VanDerWaalsContact O-CB 3.3Å; D91-V95 WeakPolarHBondContact O-CB 3.43Å; D91-V95 PolarHBondContact O-N 2.87Å; D91-V95 WeakPolarHBondContact OD1-CB 3.45Å; V95-Q97 VanDerWaalsContact C-N 3.34Å |
| 96 | R | 82.4 | Confident | 87.6 | Confident | 98 Ų | 98 | 50 Ų | 50 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -80.6 | -15.9 | -176.2 | -58.5 | -61.8 | -172.5 | 122.4 | -0.4 | 113.9 | E56 D91 L92 Y98 | E56-R96 IonicContact OE1-CZ 2.76Å; E56-R96 IonicContact OE1-NH2 3.82Å; E56-R96 PolarHBondContact OE1-NH2 3.12Å; E56-R96 IonicContact OE2-NH2 3.33Å; E56-R96 PolarHBondContact OE2-NH2 2.92Å; D91-R96 PolarHBondContact O-N 3.45Å; L92-R96 CarbonylContact O-C 3.18Å; R96-Y98 HydrophobicContact CB-CD1 3.84Å; R96-Y98 HydrophobicContact CB-CE1 4.15Å; R96-Y98 HydrophobicContact CB-CG 4.04Å; R96-Y98 WeakPolarHBondContact O-CD1 3.37Å; R96-Y98 PolarHBondContact O-N 2.66Å |
| 97 | Q | 84.6 | Confident | 86.7 | Confident | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | trans | 55.3 | 37.3 | -173.3 | -58.4 | -171 | -16.9 | 0 | 0 | 113.5 | L92 V95 P125 | L92-Q97 PolarHBondContact O-N 2.94Å; V95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-P125 HydrophobicContact CB-CG 3.94Å | ||
| 98 | Y | 90.5 | Very high | 85.6 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -86.6 | 164.7 | 177.6 | -80.2 | 18.6 | 0 | 0 | 0 | 111.6 | T32 V34 L52 L92 L93 R96 P125 | T32-Y98 HydrophobicContact CG2-CD1 4.33Å; T32-Y98 HydrophobicContact CG2-CE1 4.05Å; T32-Y98 CarbonylContact O-C 3.47Å; T32-Y98 WeakPolarHBondContact O-CA 3.49Å; T32-Y98 VanDerWaalsContact O-CB 3.31Å; T32-Y98 WeakPolarHBondContact O-CB 3.48Å; V34-Y98 HydrophobicContact CG2-CD2 3.88Å; L52-Y98 HydrophobicContact CD2-CD2 4.25Å; L52-Y98 HydrophobicContact CD2-CE2 4.02Å; L92-Y98 HydrophobicContact CD2-CD2 3.95Å; L92-Y98 HydrophobicContact CD2-CG 4.46Å; L92-Y98 PolarHBondContact O-N 3.18Å; L93-Y98 WeakPolarHBondContact CD2-O 3.4Å; R96-Y98 HydrophobicContact CB-CD1 3.84Å; R96-Y98 HydrophobicContact CB-CE1 4.15Å; R96-Y98 HydrophobicContact CB-CG 4.04Å; R96-Y98 WeakPolarHBondContact O-CD1 3.37Å; R96-Y98 PolarHBondContact O-N 2.66Å; Y98-P125 WeakPolarHBondContact O-CD 3.46Å | ||
| 99 | R | 90.7 | Very high | 83.8 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 148.7 | 170.4 | -59.5 | -173 | -173.9 | 109.2 | 5.3 | 110 | T32 T33 V34 A123 E198 T225 | T32-R99 PolarHBondContact O-N 2.84Å; T33-R99 CarbonylContact C-O 3.51Å; T33-R99 WeakPolarHBondContact CA-O 3.34Å; T33-R99 HydrophobicContact CG2-CB 4.29Å; V34-R99 PolarHBondContact N-O 2.8Å; R99-A123 CarbonylContact C-O 3.5Å; R99-A123 WeakPolarHBondContact CA-O 3.27Å; R99-E198 IonicContact CZ-OE1 3.65Å; R99-E198 IonicContact NE-OE1 3.34Å; R99-E198 PolarHBondContact NE-OE1 3.46Å; R99-E198 IonicContact NH2-OE1 3.73Å; R99-T225 PolarHBondContact NH2-OG1 3.34Å |
| 100 | V | 92.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.2 | 179.2 | -179 | 0 | 0 | 0 | 0 | 109.5 | V34 L36 V89 L92 L93 V102 K122 A123 F131 | V34-V100 WeakPolarHBondContact O-CA 3.16Å; L36-V100 HydrophobicContact CD1-CG1 3.96Å; L36-V100 HydrophobicContact CG-CG1 4.5Å; V89-V100 HydrophobicContact CG1-CG2 4.31Å; V89-V100 HydrophobicContact CG2-CG1 4.27Å; L92-V100 HydrophobicContact CB-CG2 4.2Å; L92-V100 HydrophobicContact CD1-CG2 3.93Å; L93-V100 HydrophobicContact CD2-CG2 4.14Å; L93-V100 HydrophobicContact CG-CG2 4.32Å; V100-V102 HydrophobicContact CG1-CG2 3.83Å; V100-K122 CarbonylContact O-C 3.54Å; V100-K122 WeakPolarHBondContact O-CA 3.49Å; V100-A123 HydrophobicContact CB-CB 4.34Å; V100-A123 PolarHBondContact N-O 3.46Å; V100-A123 PolarHBondContact O-N 2.9Å; V100-F131 HydrophobicContact CG1-CZ 4.18Å |
| 101 | E | 93.7 | Very high | 79.9 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.2 | 172.5 | -73 | -178.8 | 163.1 | 0 | 0 | 108.2 | T33 V34 R35 L36 Y103 L119 | T33-E101 HydrophobicContact CG2-CG 3.94Å; V34-E101 PolarHBondContact O-N 3.38Å; R35-E101 CarbonylContact C-O 3.5Å; R35-E101 WeakPolarHBondContact CA-O 3.33Å; R35-E101 HydrophobicContact CG-CB 4.06Å; R35-E101 WeakPolarHBondContact CG-OE2 3.32Å; R35-E101 IonicContact CZ-OE2 2.84Å; R35-E101 IonicContact NE-OE2 3.17Å; R35-E101 PolarHBondContact NE-OE2 2.9Å; R35-E101 IonicContact NH2-OE2 2.64Å; L36-E101 PolarHBondContact N-O 2.97Å; E101-Y103 HydrophobicContact CB-CE2 3.95Å; E101-L119 HydrophobicContact CB-CD1 3.71Å; E101-L119 HydrophobicContact CG-CD1 4.1Å |
| 102 | V | 92.7 | Very high | 78.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.9 | 178.8 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | L36 D38 Y43 F85 V100 A120 Y121 F131 | L36-V102 HydrophobicContact CB-CG1 4.46Å; L36-V102 HydrophobicContact CB-CG2 4.26Å; L36-V102 WeakPolarHBondContact O-CA 3.32Å; D38-V102 HydrophobicContact CB-CG1 4.5Å; Y43-V102 HydrophobicContact CD1-CG1 4.48Å; Y43-V102 HydrophobicContact CE1-CG1 4.25Å; F85-V102 HydrophobicContact CE2-CG2 4.3Å; F85-V102 HydrophobicContact CZ-CG2 4.33Å; V100-V102 HydrophobicContact CG1-CG2 3.83Å; V102-A120 PolarHBondContact O-N 2.98Å; V102-Y121 HydrophobicContact CB-CD1 4.29Å; V102-Y121 HydrophobicContact CB-CD2 3.45Å; V102-Y121 VanDerWaalsContact CB-CD2 3.45Å; V102-Y121 HydrophobicContact CB-CE1 3.97Å; V102-Y121 HydrophobicContact CB-CE2 3.15Å; V102-Y121 HydrophobicContact CB-CG 4.02Å; V102-Y121 VanDerWaalsContact CB-CZ 3.41Å; V102-Y121 HydrophobicContact CG1-CD2 4.25Å; V102-Y121 HydrophobicContact CG1-CE1 3.91Å; V102-Y121 HydrophobicContact CG1-CE2 3.46Å; V102-Y121 VanDerWaalsContact CG1-CE2 3.46Å; V102-Y121 WeakPolarHBondContact CG1-OH 3.49Å; V102-Y121 HydrophobicContact CG2-CD2 3.55Å; V102-Y121 HydrophobicContact CG2-CE2 3.26Å; V102-Y121 PolarHBondContact N-O 2.99Å; V102-Y121 PolarHBondContact O-N 2.87Å; V102-F131 HydrophobicContact CG2-CE1 4.43Å; V102-F131 HydrophobicContact CG2-CZ 3.69Å |
| 103 | Y | 93.1 | Very high | 76.5 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.4 | -176.7 | -70.5 | -97.6 | 0 | 0 | 0 | 110.2 | M26 R35 L36 F37 D38 E101 Y118 L119 | M26-Y103 HydrophobicContact CE-CD1 4.12Å; M26-Y103 HydrophobicContact CE-CD2 4.14Å; M26-Y103 HydrophobicContact CE-CE1 3.53Å; M26-Y103 HydrophobicContact CE-CE2 3.54Å; M26-Y103 HydrophobicContact CE-CG 4.4Å; M26-Y103 WeakPolarHBondContact CE-OH 3.34Å; R35-Y103 HydrophobicContact CB-CE2 4.36Å; R35-Y103 HydrophobicContact CG-CE2 4.02Å; L36-Y103 PolarHBondContact O-N 3.26Å; F37-Y103 HydrophobicContact CD1-CG 4.31Å; F37-Y103 HydrophobicContact CE1-CD2 4.11Å; F37-Y103 AromaticContact CE1-CG 3.97Å; F37-Y103 HydrophobicContact CE1-CG 3.97Å; F37-Y103 HydrophobicContact CZ-CD2 4.38Å; D38-Y103 WeakPolarHBondContact CB-O 3.44Å; D38-Y103 PolarHBondContact N-O 3.32Å; E101-Y103 HydrophobicContact CB-CE2 3.95Å; Y103-Y118 VanDerWaalsContact CA-O 3.29Å; Y103-Y118 WeakPolarHBondContact CA-O 3.48Å; Y103-L119 HydrophobicContact CD1-CB 4.29Å; Y103-L119 HydrophobicContact CD2-CD1 4.28Å; Y103-L119 HydrophobicContact CE1-CB 3.82Å; Y103-L119 HydrophobicContact CE1-CD1 4.31Å; Y103-L119 HydrophobicContact CE2-CD1 3.86Å |
| 104 | K | 90.9 | Very high | 75.8 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147.4 | 170.7 | -78.1 | 179.3 | 164.6 | 172 | 0 | 109.7 | D38 W117 Y118 A120 Y121 | D38-K104 HydrophobicContact CB-CG 3.82Å; D38-K104 WeakPolarHBondContact OD2-CE 3.45Å; K104-W117 WeakPolarHBondContact O-CA 3.23Å; K104-Y118 HydrophobicContact CB-CE1 3.95Å; K104-Y118 PolarHBondContact N-O 3.27Å; K104-Y118 WeakPolarHBondContact O-CD1 3.43Å; K104-Y118 WeakPolarHBondContact O-CE1 3.1Å; K104-Y118 PolarHBondContact O-N 3.25Å; K104-A120 HydrophobicContact CB-CB 3.96Å; K104-A120 HydrophobicContact CD-CB 3.84Å; K104-A120 HydrophobicContact CG-CB 3.83Å; K104-Y121 HydrophobicContact CD-CE1 4.18Å; K104-Y121 HydrophobicContact CG-CE1 4.39Å |
| 105 | N | 87.9 | Confident | 75.6 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 19% | 0.193 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.9 | 171.5 | -169.9 | -14.3 | 0 | 0 | 0 | 109.7 | A107 G108 E114 D116 W117 | N105-A107 PolarHBondContact O-N 3.27Å; N105-A107 PolarHBondContact OD1-N 2.9Å; N105-G108 PolarHBondContact O-N 3.16Å; N105-E114 PolarHBondContact ND2-O 2.97Å; N105-E114 VanDerWaalsContact ND2-O 3.08Å; N105-E114 PolarHBondContact OD1-O 2.89Å; N105-D116 PolarHBondContact OD1-O 2.99Å; N105-D116 VanDerWaalsContact OD1-O 3.13Å; N105-W117 HydrophobicContact CB-CD2 4.15Å; N105-W117 HydrophobicContact CB-CE3 4.14Å; N105-W117 HydrophobicContact CB-CH2 4.28Å; N105-W117 HydrophobicContact CB-CZ2 4.26Å; N105-W117 HydrophobicContact CB-CZ3 4.22Å |
| 106 | R | 82.1 | Confident | 75.9 | Confident | 177 Ų | 177 | 74.1 Ų | 74.1 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.8 | 178.1 | -69.1 | -157.8 | -175.8 | 178.6 | -5.7 | 113.7 | G108 D116 Y118 | R106-G108 PolarHBondContact O-N 3.33Å; R106-D116 HydrophobicContact CB-CB 4.43Å; R106-D116 VanDerWaalsContact CD-OD2 3.25Å; R106-D116 WeakPolarHBondContact CD-OD2 3.31Å; R106-D116 PolarHBondContact N-O 3.42Å; R106-D116 IonicContact NE-OD2 3.25Å; R106-Y118 HydrophobicContact CG-CD1 3.42Å; R106-Y118 VanDerWaalsContact CG-CD1 3.42Å; R106-Y118 HydrophobicContact CG-CE1 3.7Å; R106-Y118 HydrophobicContact CG-CG 4.45Å |
| 107 | A | 68.3 | Low | 76.2 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N105 | N105-A107 PolarHBondContact O-N 3.27Å; N105-A107 PolarHBondContact OD1-N 2.9Å |
| 108 | G | 62.8 | Low | 76.5 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -159.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N105 R106 K110 | N105-G108 PolarHBondContact O-N 3.16Å; R106-G108 PolarHBondContact O-N 3.33Å; G108-K110 PolarHBondContact O-N 2.88Å |
| 109 | N | 53.6 | Low | 76.5 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -4.8 | 176.9 | -73 | 6.5 | 0 | 0 | 0 | 113.5 | G40 A111 | G40-N109 VanDerWaalsContact CA-OD1 3.25Å; G40-N109 WeakPolarHBondContact CA-OD1 3.43Å; N109-A111 PolarHBondContact O-N 2.86Å |
| 110 | K | 47.8 | Very low | 76.3 | Confident | 180 Ų | 180 | 70.3 Ų | 70.3 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -78.9 | 124.9 | 178.4 | -73.7 | -178 | 179.1 | 176.9 | 0 | 108.1 | G108 S112 | G108-K110 PolarHBondContact O-N 2.88Å; K110-S112 PolarHBondContact O-N 3.26Å |
| 111 | A | 44.6 | Very low | 75.8 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 79% | 0.785 | 37% | 0.372 | S | S | * | . | trans | -63.7 | 47.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N109 | N109-A111 PolarHBondContact O-N 2.86Š| ||
| 112 | S | 46.6 | Very low | 75.5 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -82.9 | 118.7 | 160.5 | -177.5 | 0 | 0 | 0 | 0 | 108 | K110 E114 | K110-S112 PolarHBondContact O-N 3.26Å; S112-E114 PolarHBondContact O-N 2.95Å | ||
| 113 | K | 56.6 | Low | 75.2 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | trans | -76.4 | 24.2 | -163.2 | -58.3 | 175.8 | -177 | -169.4 | 0 | 113.7 | E12 | E12-K113 VanDerWaalsContact CD-NZ 3.29Å; E12-K113 IonicContact OE1-NZ 2.76Å; E12-K113 PolarHBondContact OE1-NZ 3.04Å; E12-K113 VanDerWaalsContact OE1-NZ 3.15Å; E12-K113 WeakPolarHBondContact OE2-CE 3.34Å; E12-K113 IonicContact OE2-NZ 3.84Å; E12-K113 PolarHBondContact OE2-NZ 3.39Å | ||
| 114 | E | 69.7 | Low | 75 | Confident | 137 Ų | 137 | 72.6 Ų | 72.6 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | trans | -97 | 129.9 | -176.9 | -68.3 | 179.5 | 174.4 | 0 | 0 | 110.4 | N105 S112 D116 | N105-E114 PolarHBondContact ND2-O 2.97Å; N105-E114 VanDerWaalsContact ND2-O 3.08Å; N105-E114 PolarHBondContact OD1-O 2.89Å; S112-E114 PolarHBondContact O-N 2.95Å; E114-D116 VanDerWaalsContact C-N 3.33Å; E114-D116 PolarHBondContact O-N 2.98Å | ||
| 115 | N | 76.1 | Confident | 74.6 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | trans | -90.9 | 67.9 | -180 | -75.6 | -77.1 | 0 | 0 | 0 | 109.6 | A15 F19 W117 | A15-N115 PolarHBondContact O-ND2 3.34Å; A15-N115 VanDerWaalsContact O-ND2 3.09Å; F19-N115 WeakPolarHBondContact CB-OD1 3.34Å; F19-N115 PolarHBondContact N-ND2 2.93Å; F19-N115 VanDerWaalsContact N-ND2 3.18Å; N115-W117 PolarHBondContact OD1-NE1 3.16Å | ||
| 116 | D | 86.2 | Confident | 74.2 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | trans | -101.2 | 84 | 176.4 | -172.4 | 16.6 | 0 | 0 | 0 | 110.6 | N105 R106 E114 | N105-D116 PolarHBondContact OD1-O 2.99Å; N105-D116 VanDerWaalsContact OD1-O 3.13Å; R106-D116 HydrophobicContact CB-CB 4.43Å; R106-D116 VanDerWaalsContact CD-OD2 3.25Å; R106-D116 WeakPolarHBondContact CD-OD2 3.31Å; R106-D116 PolarHBondContact N-O 3.42Å; R106-D116 IonicContact NE-OD2 3.25Å; E114-D116 VanDerWaalsContact C-N 3.33Å; E114-D116 PolarHBondContact O-N 2.98Å | ||
| 117 | W | 90 | Very high | 74.2 | Confident | 16 Ų | 16 | 60 Ų | 60 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134 | -176 | -64.4 | 85.6 | 0 | 0 | 0 | 110.9 | F19 F22 F37 D38 R39 K104 N105 N115 | F19-W117 AromaticContact CD2-CE2 3.79Å; F19-W117 AromaticContact CD2-CZ2 3.93Å; F19-W117 HydrophobicContact CD2-CZ2 3.93Å; F19-W117 AromaticContact CD2-NE1 3.5Å; F19-W117 HydrophobicContact CE2-CD2 4.43Å; F19-W117 AromaticContact CE2-CE2 3.75Å; F19-W117 AromaticContact CE2-CZ2 3.82Å; F19-W117 HydrophobicContact CE2-CZ2 3.82Å; F19-W117 AromaticContact CE2-NE1 3.85Å; F22-W117 HydrophobicContact CD1-CB 4.31Å; F22-W117 AromaticContact CD1-CD1 3.72Å; F22-W117 HydrophobicContact CD1-CG 4.14Å; F22-W117 HydrophobicContact CE1-CB 3.6Å; F22-W117 AromaticContact CE1-CD1 3.87Å; F22-W117 AromaticContact CE1-CG 3.81Å; F22-W117 HydrophobicContact CE1-CG 3.81Å; F22-W117 HydrophobicContact CE2-CB 3.95Å; F22-W117 HydrophobicContact CZ-CB 3.41Å; F22-W117 VanDerWaalsContact CZ-CB 3.41Å; F22-W117 HydrophobicContact CZ-CG 4.12Å; F37-W117 HydrophobicContact CB-CH2 3.99Å; F37-W117 HydrophobicContact CB-CZ3 3.8Å; F37-W117 HydrophobicContact CD1-CD2 4.13Å; F37-W117 AromaticContact CD1-CE3 3.77Å; F37-W117 HydrophobicContact CD1-CE3 3.77Å; F37-W117 HydrophobicContact CD1-CH2 4.4Å; F37-W117 AromaticContact CD1-CZ3 3.92Å; F37-W117 HydrophobicContact CD1-CZ3 3.92Å; F37-W117 HydrophobicContact CG-CZ3 4.37Å; D38-W117 WeakPolarHBondContact O-CH2 3.43Å; D38-W117 VanDerWaalsContact O-CZ3 3.27Å; D38-W117 WeakPolarHBondContact O-CZ3 3.38Å; R39-W117 HydrophobicContact CG-CH2 4.1Å; K104-W117 WeakPolarHBondContact O-CA 3.23Å; N105-W117 HydrophobicContact CB-CD2 4.15Å; N105-W117 HydrophobicContact CB-CE3 4.14Å; N105-W117 HydrophobicContact CB-CH2 4.28Å; N105-W117 HydrophobicContact CB-CZ2 4.26Å; N105-W117 HydrophobicContact CB-CZ3 4.22Å; N115-W117 PolarHBondContact OD1-NE1 3.16Å |
| 118 | Y | 90.3 | Very high | 74.7 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 38% | 0.376 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | 173.7 | 70.1 | -78.5 | 0 | 0 | 0 | 110.5 | Y103 K104 R106 A120 | Y103-Y118 VanDerWaalsContact CA-O 3.29Å; Y103-Y118 WeakPolarHBondContact CA-O 3.48Å; K104-Y118 HydrophobicContact CB-CE1 3.95Å; K104-Y118 PolarHBondContact N-O 3.27Å; K104-Y118 WeakPolarHBondContact O-CD1 3.43Å; K104-Y118 WeakPolarHBondContact O-CE1 3.1Å; K104-Y118 PolarHBondContact O-N 3.25Å; R106-Y118 HydrophobicContact CG-CD1 3.42Å; R106-Y118 VanDerWaalsContact CG-CD1 3.42Å; R106-Y118 HydrophobicContact CG-CE1 3.7Å; R106-Y118 HydrophobicContact CG-CG 4.45Å; Y118-A120 HydrophobicContact CD2-CB 4.43Å; Y118-A120 HydrophobicContact CE2-CB 3.92Å; Y118-A120 PolarHBondContact O-N 3.41Å |
| 119 | L | 90.1 | Very high | 75.1 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 110 | 175.3 | -178.8 | 60 | 0 | 0 | 0 | 108.3 | E101 Y103 K122 | E101-L119 HydrophobicContact CB-CD1 3.71Å; E101-L119 HydrophobicContact CG-CD1 4.1Å; Y103-L119 HydrophobicContact CD1-CB 4.29Å; Y103-L119 HydrophobicContact CD2-CD1 4.28Å; Y103-L119 HydrophobicContact CE1-CB 3.82Å; Y103-L119 HydrophobicContact CE1-CD1 4.31Å; Y103-L119 HydrophobicContact CE2-CD1 3.86Å; L119-K122 HydrophobicContact CD2-CD 4.31Å; L119-K122 HydrophobicContact CD2-CG 4.07Å; L119-K122 HydrophobicContact CG-CG 4.46Å |
| 120 | A | 86.6 | Confident | 76 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -38.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V102 K104 Y118 | V102-A120 PolarHBondContact O-N 2.98Å; K104-A120 HydrophobicContact CB-CB 3.96Å; K104-A120 HydrophobicContact CD-CB 3.84Å; K104-A120 HydrophobicContact CG-CB 3.83Å; Y118-A120 HydrophobicContact CD2-CB 4.43Å; Y118-A120 HydrophobicContact CE2-CB 3.92Å; Y118-A120 PolarHBondContact O-N 3.41Å |
| 121 | Y | 82 | Confident | 77.1 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.3 | -178.6 | 38.9 | -79.1 | 0 | 0 | 0 | 112.6 | F85 V102 K104 F131 | F85-Y121 HydrophobicContact CZ-CE2 4.37Å; V102-Y121 HydrophobicContact CB-CD1 4.29Å; V102-Y121 HydrophobicContact CB-CD2 3.45Å; V102-Y121 VanDerWaalsContact CB-CD2 3.45Å; V102-Y121 HydrophobicContact CB-CE1 3.97Å; V102-Y121 HydrophobicContact CB-CE2 3.15Å; V102-Y121 HydrophobicContact CB-CG 4.02Å; V102-Y121 VanDerWaalsContact CB-CZ 3.41Å; V102-Y121 HydrophobicContact CG1-CD2 4.25Å; V102-Y121 HydrophobicContact CG1-CE1 3.91Å; V102-Y121 HydrophobicContact CG1-CE2 3.46Å; V102-Y121 VanDerWaalsContact CG1-CE2 3.46Å; V102-Y121 WeakPolarHBondContact CG1-OH 3.49Å; V102-Y121 HydrophobicContact CG2-CD2 3.55Å; V102-Y121 HydrophobicContact CG2-CE2 3.26Å; V102-Y121 PolarHBondContact N-O 2.99Å; V102-Y121 PolarHBondContact O-N 2.87Å; K104-Y121 HydrophobicContact CD-CE1 4.18Å; K104-Y121 HydrophobicContact CG-CE1 4.39Å; Y121-F131 HydrophobicContact CD2-CD2 4.46Å; Y121-F131 HydrophobicContact CD2-CE1 4.17Å; Y121-F131 AromaticContact CD2-CE2 3.54Å; Y121-F131 HydrophobicContact CD2-CE2 3.54Å; Y121-F131 AromaticContact CD2-CZ 3.38Å; Y121-F131 HydrophobicContact CD2-CZ 3.38Å; Y121-F131 AromaticContact CE2-CE1 3.94Å; Y121-F131 HydrophobicContact CE2-CE1 3.94Å; Y121-F131 HydrophobicContact CE2-CE2 4.16Å; Y121-F131 AromaticContact CE2-CZ 3.55Å; Y121-F131 HydrophobicContact CE2-CZ 3.55Å |
| 122 | K | 88 | Confident | 78 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.9 | 175.7 | -67.2 | 176.7 | -173.2 | 161.3 | 0 | 109.6 | V100 L119 Q130 E278 | V100-K122 CarbonylContact O-C 3.54Å; V100-K122 WeakPolarHBondContact O-CA 3.49Å; L119-K122 HydrophobicContact CD2-CD 4.31Å; L119-K122 HydrophobicContact CD2-CG 4.07Å; L119-K122 HydrophobicContact CG-CG 4.46Å; K122-Q130 PolarHBondContact O-OE1 3.28Å; K122-E278 IonicContact NZ-OE1 2.6Å; K122-E278 PolarHBondContact NZ-OE1 3.05Å |
| 123 | A | 87 | Confident | 78.6 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L93 R99 V100 N127 F131 | L93-A123 HydrophobicContact CD1-CB 3.82Å; L93-A123 HydrophobicContact CD2-CB 3.84Å; R99-A123 CarbonylContact C-O 3.5Å; R99-A123 WeakPolarHBondContact CA-O 3.27Å; V100-A123 HydrophobicContact CB-CB 4.34Å; V100-A123 PolarHBondContact N-O 3.46Å; V100-A123 PolarHBondContact O-N 2.9Å; A123-N127 WeakPolarHBondContact CA-O 3.46Å; A123-F131 HydrophobicContact CB-CD2 3.41Å; A123-F131 VanDerWaalsContact CB-CD2 3.41Å; A123-F131 HydrophobicContact CB-CE2 3.34Å; A123-F131 HydrophobicContact CB-CG 4.35Å; A123-F131 HydrophobicContact CB-CZ 4.27Å |
| 124 | S | 88 | Confident | 78.7 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -144.8 | 167.9 | 172.6 | 67.6 | 0 | 0 | 0 | 0 | 108.4 | G126 N127 L128 E198 | S124-G126 PolarHBondContact O-N 2.85Å; S124-N127 PolarHBondContact N-O 3.42Å; S124-N127 VanDerWaalsContact N-O 3.16Å; S124-N127 CarbonylContact O-C 3.6Å; S124-N127 PolarHBondContact O-N 3.36Å; S124-N127 PolarHBondContact OG-N 2.95Å; S124-N127 VanDerWaalsContact OG-N 3.12Å; S124-L128 WeakPolarHBondContact O-CD2 3.28Å; S124-E198 WeakPolarHBondContact CB-OE2 3.41Å; S124-E198 PolarHBondContact OG-OE2 2.95Å |
| 125 | P | 82.4 | Confident | 78.1 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.9 | 178 | -26.6 | 37.7 | 0 | 0 | 0 | 113.1 | Q97 Y98 I145 K197 L223 | Q97-P125 HydrophobicContact CB-CG 3.94Å; Y98-P125 WeakPolarHBondContact O-CD 3.46Å; P125-I145 VanDerWaalsContact O-CG2 3.25Å; P125-I145 WeakPolarHBondContact O-CG2 3.5Å; P125-K197 WeakPolarHBondContact O-CB 3.4Å; P125-L223 HydrophobicContact CG-CD2 4.14Å |
| 126 | G | 79.3 | Confident | 77.4 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -18.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S124 I145 V147 E198 | S124-G126 PolarHBondContact O-N 2.85Å; G126-I145 WeakPolarHBondContact O-CG2 3.05Å; G126-V147 VanDerWaalsContact O-CG2 3.23Å; G126-V147 WeakPolarHBondContact O-CG2 3.47Å; G126-E198 PolarHBondContact N-OE2 3.3Å |
| 127 | N | 83.3 | Confident | 75.5 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -123.9 | 95.2 | -179.5 | -173.2 | 9.3 | 0 | 0 | 0 | 111.5 | A123 S124 S129 L277 | A123-N127 WeakPolarHBondContact CA-O 3.46Å; S124-N127 PolarHBondContact N-O 3.42Å; S124-N127 VanDerWaalsContact N-O 3.16Å; S124-N127 CarbonylContact O-C 3.6Å; S124-N127 PolarHBondContact O-N 3.36Å; S124-N127 PolarHBondContact OG-N 2.95Å; S124-N127 VanDerWaalsContact OG-N 3.12Å; N127-S129 WeakPolarHBondContact OD1-CB 3.34Å; N127-S129 PolarHBondContact OD1-N 2.95Å; N127-S129 PolarHBondContact OD1-OG 3.42Å; N127-L277 HydrophobicContact CB-CD2 3.78Å |
| 128 | L | 78.5 | Confident | 72.9 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -101.7 | 4.8 | 176.1 | -56.5 | -168.6 | 0 | 0 | 0 | 113.5 | L93 L94 S124 Q130 F131 E132 L135 F136 I145 | L93-L128 HydrophobicContact CB-CD2 4.24Å; L93-L128 HydrophobicContact CD1-CD2 3.7Å; L93-L128 HydrophobicContact CD2-CD2 4.48Å; L93-L128 HydrophobicContact CG-CD2 4.37Å; L94-L128 HydrophobicContact CD2-CD1 4.41Å; S124-L128 WeakPolarHBondContact O-CD2 3.28Å; L128-Q130 PolarHBondContact O-N 3.35Å; L128-F131 CarbonylContact O-C 3.59Å; L128-F131 PolarHBondContact O-N 2.95Å; L128-E132 PolarHBondContact O-N 3.27Å; L128-L135 HydrophobicContact CD1-CD1 4.39Å; L128-L135 HydrophobicContact CD2-CD1 4.02Å; L128-F136 HydrophobicContact CB-CE2 4.29Å; L128-F136 HydrophobicContact CD1-CE2 3.56Å; L128-F136 HydrophobicContact CD1-CZ 3.36Å; L128-I145 HydrophobicContact CD1-CD1 3.18Å; L128-I145 HydrophobicContact CG-CD1 3.88Å | ||
| 129 | S | 71.6 | Confident | 70.4 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.7 | -167.4 | -51.3 | 0 | 0 | 0 | 0 | 114.7 | N127 R396 | N127-S129 WeakPolarHBondContact OD1-CB 3.34Å; N127-S129 PolarHBondContact OD1-N 2.95Å; N127-S129 PolarHBondContact OD1-OG 3.42Å; S129-R396 PolarHBondContact O-NH1 3.08Å; S129-R396 PolarHBondContact O-NH2 3.32Å |
| 130 | Q | 71.6 | Confident | 68.2 | Low | 87 Ų | 87 | 42.7 Ų | 42.7 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.2 | -178.5 | -64.2 | -170.1 | -37.5 | 0 | 0 | 113.3 | K122 L128 | K122-Q130 PolarHBondContact O-OE1 3.28Å; L128-Q130 PolarHBondContact O-N 3.35Å |
| 131 | F | 70.3 | Confident | 66.1 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 8.1 | -179.5 | -73.7 | -97.2 | 0 | 0 | 0 | 112.8 | F85 V89 V100 V102 Y121 A123 L128 D133 I134 L135 | F85-F131 HydrophobicContact CE1-CE1 4.08Å; F85-F131 AromaticContact CZ-CE1 3.63Å; F85-F131 HydrophobicContact CZ-CE1 3.63Å; F85-F131 HydrophobicContact CZ-CZ 4.4Å; V89-F131 HydrophobicContact CB-CE1 4.45Å; V89-F131 HydrophobicContact CG1-CD1 3.77Å; V89-F131 HydrophobicContact CG1-CE1 3.73Å; V89-F131 HydrophobicContact CG1-CG 4.39Å; V89-F131 HydrophobicContact CG1-CZ 4.31Å; V89-F131 HydrophobicContact CG2-CE1 4.17Å; V100-F131 HydrophobicContact CG1-CZ 4.18Å; V102-F131 HydrophobicContact CG2-CE1 4.43Å; V102-F131 HydrophobicContact CG2-CZ 3.69Å; Y121-F131 HydrophobicContact CD2-CD2 4.46Å; Y121-F131 HydrophobicContact CD2-CE1 4.17Å; Y121-F131 AromaticContact CD2-CE2 3.54Å; Y121-F131 HydrophobicContact CD2-CE2 3.54Å; Y121-F131 AromaticContact CD2-CZ 3.38Å; Y121-F131 HydrophobicContact CD2-CZ 3.38Å; Y121-F131 AromaticContact CE2-CE1 3.94Å; Y121-F131 HydrophobicContact CE2-CE1 3.94Å; Y121-F131 HydrophobicContact CE2-CE2 4.16Å; Y121-F131 AromaticContact CE2-CZ 3.55Å; Y121-F131 HydrophobicContact CE2-CZ 3.55Å; A123-F131 HydrophobicContact CB-CD2 3.41Å; A123-F131 VanDerWaalsContact CB-CD2 3.41Å; A123-F131 HydrophobicContact CB-CE2 3.34Å; A123-F131 HydrophobicContact CB-CG 4.35Å; A123-F131 HydrophobicContact CB-CZ 4.27Å; L128-F131 CarbonylContact O-C 3.59Å; L128-F131 PolarHBondContact O-N 2.95Å; F131-D133 VanDerWaalsContact C-N 3.32Å; F131-D133 PolarHBondContact O-N 3.15Å; F131-I134 HydrophobicContact CD1-CB 4.35Å; F131-I134 HydrophobicContact CD1-CD1 3.94Å; F131-I134 HydrophobicContact CD1-CG2 4.25Å; F131-I134 CarbonylContact O-C 3.48Å; F131-I134 WeakPolarHBondContact O-CA 3.4Å; F131-I134 WeakPolarHBondContact O-CB 3.43Å; F131-I134 PolarHBondContact O-N 2.69Å; F131-L135 HydrophobicContact CB-CD1 3.49Å; F131-L135 VanDerWaalsContact CB-CD1 3.49Å; F131-L135 HydrophobicContact CB-CG 3.86Å; F131-L135 HydrophobicContact CG-CD1 4.47Å; F131-L135 VanDerWaalsContact O-CB 3.31Å; F131-L135 WeakPolarHBondContact O-CB 3.47Å; F131-L135 WeakPolarHBondContact O-CG 3.33Å; F131-L135 PolarHBondContact O-N 3.3Å |
| 132 | E | 64.4 | Low | 64.4 | Low | 32 Ų | 32 | 47.1 Ų | 47.1 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | -174.3 | -168.9 | 178.4 | 165.9 | 0 | 0 | 112.3 | L128 I134 F136 R389 K392 | L128-E132 PolarHBondContact O-N 3.27Å; E132-I134 VanDerWaalsContact C-N 3.29Å; E132-I134 PolarHBondContact O-N 3.23Å; E132-F136 HydrophobicContact CB-CD2 4.46Å; E132-F136 HydrophobicContact CG-CD2 3.98Å; E132-F136 WeakPolarHBondContact O-CB 3.25Å; E132-F136 WeakPolarHBondContact O-CD2 3.43Å; E132-F136 PolarHBondContact O-N 3.09Å; E132-R389 PolarHBondContact O-NH2 3.48Å; E132-K392 WeakPolarHBondContact OE2-CE 3.26Å; E132-K392 IonicContact OE2-NZ 2.64Å; E132-K392 PolarHBondContact OE2-NZ 2.87Å |
| 133 | D | 59.3 | Low | 62.5 | Low | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -31.4 | 176.3 | -64.3 | -45.2 | 0 | 0 | 0 | 112.7 | F131 G137 R389 | F131-D133 VanDerWaalsContact C-N 3.32Å; F131-D133 PolarHBondContact O-N 3.15Å; D133-G137 PolarHBondContact O-N 3.18Å; D133-R389 IonicContact OD1-NH2 2.94Å |
| 134 | I | 58.8 | Low | 60.7 | Low | 44 Ų | 44 | 47 Ų | 47 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.5 | -40.2 | -178.4 | -65 | 170.2 | 0 | 0 | 0 | 111.5 | F85 E86 F131 E132 | F85-I134 HydrophobicContact CE1-CD1 4.42Å; F85-I134 HydrophobicContact CE1-CG2 4.35Å; E86-I134 HydrophobicContact CB-CG2 3.7Å; E86-I134 HydrophobicContact CG-CG2 3.49Å; E86-I134 VanDerWaalsContact CG-CG2 3.49Å; F131-I134 HydrophobicContact CD1-CB 4.35Å; F131-I134 HydrophobicContact CD1-CD1 3.94Å; F131-I134 HydrophobicContact CD1-CG2 4.25Å; F131-I134 CarbonylContact O-C 3.48Å; F131-I134 WeakPolarHBondContact O-CA 3.4Å; F131-I134 WeakPolarHBondContact O-CB 3.43Å; F131-I134 PolarHBondContact O-N 2.69Å; E132-I134 VanDerWaalsContact C-N 3.29Å; E132-I134 PolarHBondContact O-N 3.23Å |
| 135 | L | 56.8 | Low | 59.3 | Low | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -89.1 | -34.1 | -172.5 | -71.3 | 170.1 | 0 | 0 | 0 | 113.2 | V89 K90 L93 L128 F131 | V89-L135 HydrophobicContact CG1-CD2 4.19Å; K90-L135 VanDerWaalsContact CA-CD2 3.41Å; K90-L135 HydrophobicContact CB-CD2 3.54Å; K90-L135 HydrophobicContact CG-CD2 4.12Å; L93-L135 HydrophobicContact CD1-CD1 3.69Å; L128-L135 HydrophobicContact CD1-CD1 4.39Å; L128-L135 HydrophobicContact CD2-CD1 4.02Å; F131-L135 HydrophobicContact CB-CD1 3.49Å; F131-L135 VanDerWaalsContact CB-CD1 3.49Å; F131-L135 HydrophobicContact CB-CG 3.86Å; F131-L135 HydrophobicContact CG-CD1 4.47Å; F131-L135 VanDerWaalsContact O-CB 3.31Å; F131-L135 WeakPolarHBondContact O-CB 3.47Å; F131-L135 WeakPolarHBondContact O-CG 3.33Å; F131-L135 PolarHBondContact O-N 3.3Å |
| 136 | F | 60.3 | Low | 58.6 | Low | 30 Ų | 30 | 47.8 Ų | 47.8 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -115.1 | 10.3 | -170.5 | -53.4 | -67.9 | 0 | 0 | 0 | 112.9 | L128 E132 N138 M141 R389 | L128-F136 HydrophobicContact CB-CE2 4.29Å; L128-F136 HydrophobicContact CD1-CE2 3.56Å; L128-F136 HydrophobicContact CD1-CZ 3.36Å; E132-F136 HydrophobicContact CB-CD2 4.46Å; E132-F136 HydrophobicContact CG-CD2 3.98Å; E132-F136 WeakPolarHBondContact O-CB 3.25Å; E132-F136 WeakPolarHBondContact O-CD2 3.43Å; E132-F136 PolarHBondContact O-N 3.09Å; F136-N138 PolarHBondContact O-N 3.37Å; F136-M141 HydrophobicContact CD1-CB 4.39Å; F136-M141 HydrophobicContact CE1-CB 3.97Å; F136-R389 PolarHBondContact O-NH1 2.84Å |
| 137 | G | 47.7 | Very low | 59.1 | Low | 51 Ų | 51 | 47.6 Ų | 47.6 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -55 | -28.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | D133 | D133-G137 PolarHBondContact O-N 3.18Š|
| 138 | N | 35.7 | Very low | 59.7 | Low | 157 Ų | 157 | 46.9 Ų | 46.9 | 84% | 0.84 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -127.6 | -11.4 | -174.5 | -98.2 | -7.7 | 0 | 0 | 0 | 116.7 | F136 | F136-N138 PolarHBondContact O-N 3.37Š|
| 139 | N | 37.7 | Very low | 60.5 | Low | 86 Ų | 86 | 46.3 Ų | 46.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | trans | -134.9 | 131 | -175.7 | -73.3 | 32.1 | 0 | 0 | 0 | 113.4 | K90 M141 | K90-N139 PolarHBondContact NZ-ND2 3.35Å; N139-M141 VanDerWaalsContact C-N 3.32Å; N139-M141 PolarHBondContact O-N 2.81Å | ||
| 140 | D | 43.8 | Very low | 61.7 | Low | 114 Ų | 114 | 45.1 Ų | 45.1 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | trans | -70.3 | 70.4 | 172.1 | -62.3 | -49.3 | 0 | 0 | 0 | 112.6 | S142 | D140-S142 PolarHBondContact O-N 2.93Š| ||
| 141 | M | 41.3 | Very low | 62.8 | Low | 129 Ų | 129 | 44.3 Ų | 44.3 | 64% | 0.635 | 25% | 0.252 | S | S | * | . | trans | -93.7 | 79.7 | 162.2 | -92.6 | -76.4 | 174.9 | 0 | 0 | 109 | F136 N139 A143 | F136-M141 HydrophobicContact CD1-CB 4.39Å; F136-M141 HydrophobicContact CE1-CB 3.97Å; N139-M141 VanDerWaalsContact C-N 3.32Å; N139-M141 PolarHBondContact O-N 2.81Å; M141-A143 VanDerWaalsContact C-N 3.3Å; M141-A143 PolarHBondContact O-N 3.45Å | ||
| 142 | S | 46.9 | Very low | 63.8 | Low | 18 Ų | 18 | 45.9 Ų | 45.9 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | trans | -78.3 | 63.7 | -176.3 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | D140 Q339 | D140-S142 PolarHBondContact O-N 2.93Å; S142-Q339 PolarHBondContact OG-OE1 3.2Å | ||
| 143 | A | 47.5 | Very low | 65 | Low | 44 Ų | 44 | 46.5 Ų | 46.5 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -105 | 129.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | M141 I145 | M141-A143 VanDerWaalsContact C-N 3.3Å; M141-A143 PolarHBondContact O-N 3.45Å; A143-I145 HydrophobicContact CB-CG1 4.32Å; A143-I145 PolarHBondContact O-N 3.35Å | ||
| 144 | S | 49.2 | Very low | 66.4 | Low | 32 Ų | 32 | 47 Ų | 47 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | trans | -67.9 | 114.1 | 164.1 | 77.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 145 | I | 58.5 | Low | 67.8 | Low | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -99.4 | 103.5 | -177.2 | -65.6 | 166.2 | 0 | 0 | 0 | 106.4 | P125 G126 L128 A143 K197 | P125-I145 VanDerWaalsContact O-CG2 3.25Å; P125-I145 WeakPolarHBondContact O-CG2 3.5Å; G126-I145 WeakPolarHBondContact O-CG2 3.05Å; L128-I145 HydrophobicContact CD1-CD1 3.18Å; L128-I145 HydrophobicContact CG-CD1 3.88Å; A143-I145 HydrophobicContact CB-CG1 4.32Å; A143-I145 PolarHBondContact O-N 3.35Å; I145-K197 HydrophobicContact CG1-CG 4.39Å; I145-K197 HydrophobicContact CG2-CB 4.29Å; I145-K197 HydrophobicContact CG2-CG 4.28Å | ||
| 146 | G | 68.1 | Low | 69.2 | Low | 7 Ų | 7 | 56.1 Ų | 56.1 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -97.6 | 140 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | P196 K197 | G146-P196 VanDerWaalsContact O-CA 3.25Å; G146-P196 WeakPolarHBondContact O-CA 3.35Å; G146-P196 VanDerWaalsContact O-CB 3.29Å; G146-P196 WeakPolarHBondContact O-CB 3.36Å; G146-K197 PolarHBondContact O-N 2.87Å | ||
| 147 | V | 90.2 | Very high | 70.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.1 | 154.6 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | G126 Y165 V166 E198 V200 V273 F276 L277 | G126-V147 VanDerWaalsContact O-CG2 3.23Å; G126-V147 WeakPolarHBondContact O-CG2 3.47Å; V147-Y165 WeakPolarHBondContact O-CA 3.45Å; V147-Y165 WeakPolarHBondContact O-CB 3.39Å; V147-V166 PolarHBondContact O-N 3.28Å; V147-E198 WeakPolarHBondContact CA-O 3.44Å; V147-V200 HydrophobicContact CG1-CG1 4.1Å; V147-V273 HydrophobicContact CB-CG1 4.05Å; V147-V273 HydrophobicContact CG1-CG1 4.01Å; V147-V273 HydrophobicContact CG1-CG2 4.47Å; V147-F276 HydrophobicContact CG1-CD1 3.78Å; V147-F276 HydrophobicContact CG1-CE1 3.96Å; V147-F276 HydrophobicContact CG2-CD1 4.23Å; V147-F276 HydrophobicContact CG2-CE1 3.89Å; V147-L277 HydrophobicContact CB-CD2 4.4Å; V147-L277 HydrophobicContact CG2-CD2 3.73Å; V147-L277 HydrophobicContact CG2-CG 4.4Å |
| 148 | V | 95.4 | Very high | 72.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147 | 173.3 | 70.6 | 0 | 0 | 0 | 0 | 110 | V150 V163 G164 L191 P196 E198 C199 V200 | V148-V150 HydrophobicContact CG2-CG2 4.3Å; V148-V163 HydrophobicContact CG2-CG1 3.28Å; V148-G164 CarbonylContact C-O 3.59Å; V148-G164 WeakPolarHBondContact CA-O 3.35Å; V148-L191 HydrophobicContact CG1-CD2 3.94Å; V148-L191 HydrophobicContact CG2-CD2 4.42Å; V148-P196 HydrophobicContact CB-CB 4Å; V148-P196 HydrophobicContact CB-CG 4.11Å; V148-P196 HydrophobicContact CG1-CB 3.8Å; V148-P196 HydrophobicContact CG1-CG 3.6Å; V148-E198 PolarHBondContact N-O 2.89Å; V148-C199 HydrophobicContact CG1-CB 3.72Å; V148-C199 CarbonylContact O-C 3.58Å; V148-C199 VanDerWaalsContact O-CA 3.23Å; V148-C199 WeakPolarHBondContact O-CA 3.47Å; V148-V200 PolarHBondContact O-N 3.46Å |
| 149 | G | 96.3 | Very high | 74.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | V163 G164 V200 S269 | G149-V163 WeakPolarHBondContact O-CA 3.39Å; G149-G164 PolarHBondContact N-O 3.23Å; G149-G164 PolarHBondContact O-N 3.35Å; G149-V200 VanDerWaalsContact CA-CG2 3.44Å; G149-V200 WeakPolarHBondContact CA-O 3.4Å; G149-S269 WeakPolarHBondContact O-CB 3.38Å |
| 150 | V | 95.9 | Very high | 77.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.5 | 179.1 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | V148 V161 V163 L187 V200 L201 L213 | V148-V150 HydrophobicContact CG2-CG2 4.3Å; V150-V161 HydrophobicContact CG1-CG1 3.92Å; V150-V163 HydrophobicContact CG1-CG2 4.5Å; V150-V163 HydrophobicContact CG2-CG2 4.28Å; V150-L187 HydrophobicContact CG1-CD1 4.38Å; V150-L187 HydrophobicContact CG1-CD2 4.31Å; V150-L187 HydrophobicContact CG2-CD1 4.31Å; V150-V200 PolarHBondContact N-O 3.46Å; V150-L201 HydrophobicContact CB-CD2 3.79Å; V150-L201 WeakPolarHBondContact O-CD2 3.31Å; V150-L213 HydrophobicContact CG1-CD1 4.21Å; V150-L213 HydrophobicContact CG1-CD2 4.08Å |
| 151 | K | 93.9 | Very high | 80 | Confident | 70 Ų | 70 | 47 Ų | 47 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150 | 173.3 | -173.1 | -176.3 | 176.7 | -166.3 | 0 | 108.1 | G162 F232 V265 S268 S269 | K151-G162 PolarHBondContact N-O 3.11Å; K151-G162 PolarHBondContact O-N 3.01Å; K151-F232 HydrophobicContact CB-CD1 4.19Å; K151-F232 HydrophobicContact CB-CE1 4.3Å; K151-F232 HydrophobicContact CD-CD1 4.18Å; K151-V265 HydrophobicContact CB-CG1 4.22Å; K151-V265 HydrophobicContact CD-CG1 4.44Å; K151-V265 HydrophobicContact CG-CG1 4.3Å; K151-S268 WeakPolarHBondContact CD-OG 3.37Å; K151-S268 PolarHBondContact NZ-OG 3.37Å; K151-S269 VanDerWaalsContact CB-OG 3.26Å; K151-S269 WeakPolarHBondContact CB-OG 3.44Å; K151-S269 PolarHBondContact N-OG 3.33Å |
| 152 | M | 91.5 | Very high | 82.6 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 16% | 0.163 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152.7 | 174.1 | 63 | 179.2 | 72 | 0 | 0 | 110.9 | Q160 F184 D209 M210 L213 | M152-Q160 VanDerWaalsContact CA-O 3.27Å; M152-Q160 WeakPolarHBondContact CA-O 3.42Å; M152-F184 HydrophobicContact CE-CE1 3.82Å; M152-F184 HydrophobicContact CE-CZ 3.7Å; M152-F184 HydrophobicContact SD-CZ 4.38Å; M152-D209 HydrophobicContact SD-CB 3.75Å; M152-M210 HydrophobicContact CE-SD 3.93Å; M152-M210 HydrophobicContact CG-SD 4.28Å; M152-M210 HydrophobicContact SD-SD 4.18Å; M152-L213 HydrophobicContact CE-CB 3.8Å; M152-L213 HydrophobicContact CE-CD1 4.26Å; M152-L213 HydrophobicContact CE-CD2 3.4Å; M152-L213 VanDerWaalsContact CE-CD2 3.4Å; M152-L213 HydrophobicContact CE-CG 3.99Å |
| 153 | S | 90.3 | Very high | 85 | Confident | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158 | 169.1 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | Q160 V265 | S153-Q160 PolarHBondContact N-O 3.43Å; S153-Q160 WeakPolarHBondContact O-CA 3.46Å; S153-Q160 WeakPolarHBondContact O-CB 3.47Å; S153-Q160 PolarHBondContact O-N 2.86Å; S153-Q160 VanDerWaalsContact O-O 3.07Å; S153-V265 WeakPolarHBondContact OG-CG2 3.46Å |
| 154 | T | 88.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 38 Ų | 38 | 58% | 0.577 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.3 | 176.9 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | Q158 | T154-Q158 WeakPolarHBondContact CA-O 3.41Å |
| 155 | V | 88.1 | Confident | 89.6 | Confident | 73 Ų | 73 | 37.6 Ų | 37.6 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.3 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 107 | G157 Q158 Q160 | V155-G157 PolarHBondContact O-N 2.94Å; V155-Q158 PolarHBondContact N-O 2.87Å; V155-Q158 WeakPolarHBondContact O-CB 3.5Å; V155-Q158 PolarHBondContact O-N 3.33Å; V155-Q158 VanDerWaalsContact O-O 3.11Å; V155-Q160 HydrophobicContact CG2-CB 4.23Å |
| 156 | D | 86.1 | Confident | 91.2 | Very high | 170 Ų | 170 | 36.6 Ų | 36.6 | 91% | 0.909 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 32.7 | -178.9 | -58.8 | -30.2 | 0 | 0 | 0 | 115.1 | Q158 | D156-Q158 PolarHBondContact O-N 2.95Š|
| 157 | G | 82.9 | Confident | 92.1 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -10.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V155 | V155-G157 PolarHBondContact O-N 2.94Š|
| 158 | Q | 88.4 | Confident | 91.6 | Very high | 114 Ų | 114 | 39 Ų | 39 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.9 | 171.9 | -167.7 | 93.2 | 27.2 | 0 | 0 | 109.8 | T154 V155 D156 Q160 P179 | T154-Q158 WeakPolarHBondContact CA-O 3.41Å; V155-Q158 PolarHBondContact N-O 2.87Å; V155-Q158 WeakPolarHBondContact O-CB 3.5Å; V155-Q158 PolarHBondContact O-N 3.33Å; V155-Q158 VanDerWaalsContact O-O 3.11Å; D156-Q158 PolarHBondContact O-N 2.95Å; Q158-Q160 PolarHBondContact O-N 2.93Å; Q158-P179 HydrophobicContact CG-CB 3.87Å |
| 159 | R | 90.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.8 | 174.6 | -169.1 | -175.7 | -64.3 | 127.7 | 11.5 | 109.6 | P179 D180 N181 D182 D209 | R159-P179 WeakPolarHBondContact O-CA 3.32Å; R159-D180 PolarHBondContact O-N 2.78Å; R159-N181 PolarHBondContact NH1-O 2.94Å; R159-D182 IonicContact CZ-OD1 2.78Å; R159-D182 IonicContact NH1-OD1 2.65Å; R159-D182 PolarHBondContact NH1-OD1 3.26Å; R159-D182 IonicContact NH2-OD1 3.98Å; R159-D182 PolarHBondContact NH2-OD1 3.49Å; R159-D209 VanDerWaalsContact CZ-CG 3.43Å; R159-D209 IonicContact CZ-OD1 3.76Å; R159-D209 IonicContact CZ-OD2 3.8Å; R159-D209 IonicContact NE-OD2 2.84Å; R159-D209 PolarHBondContact NE-OD2 3.23Å; R159-D209 IonicContact NH2-OD1 3.85Å; R159-D209 PolarHBondContact NH2-OD1 3.23Å; R159-D209 IonicContact NH2-OD2 2.94Å; R159-D209 PolarHBondContact NH2-OD2 3.46Å |
| 160 | Q | 94.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.5 | 174 | -158 | 70.8 | 2.7 | 0 | 0 | 109.6 | M152 S153 V155 Q158 E177 | M152-Q160 VanDerWaalsContact CA-O 3.27Å; M152-Q160 WeakPolarHBondContact CA-O 3.42Å; S153-Q160 PolarHBondContact N-O 3.43Å; S153-Q160 WeakPolarHBondContact O-CA 3.46Å; S153-Q160 WeakPolarHBondContact O-CB 3.47Å; S153-Q160 PolarHBondContact O-N 2.86Å; S153-Q160 VanDerWaalsContact O-O 3.07Å; V155-Q160 HydrophobicContact CG2-CB 4.23Å; Q158-Q160 PolarHBondContact O-N 2.93Å; Q160-E177 HydrophobicContact CG-CG 3.83Å |
| 161 | V | 95.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | V150 V163 E177 F178 D180 F184 L187 | V150-V161 HydrophobicContact CG1-CG1 3.92Å; V161-V163 HydrophobicContact CG1-CG2 4.06Å; V161-E177 WeakPolarHBondContact O-CA 3.11Å; V161-F178 HydrophobicContact CB-CD2 4.42Å; V161-F178 HydrophobicContact CB-CE2 3.99Å; V161-F178 HydrophobicContact CB-CZ 4.12Å; V161-F178 HydrophobicContact CG1-CE2 4.31Å; V161-F178 HydrophobicContact CG1-CZ 4.02Å; V161-F178 PolarHBondContact N-O 3.41Å; V161-F178 PolarHBondContact O-N 3.07Å; V161-D180 HydrophobicContact CG2-CB 3.9Å; V161-F184 HydrophobicContact CG2-CD1 4.33Å; V161-F184 HydrophobicContact CG2-CE1 4.23Å; V161-L187 HydrophobicContact CG1-CD1 4.26Å |
| 162 | G | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K151 S269 | K151-G162 PolarHBondContact N-O 3.11Å; K151-G162 PolarHBondContact O-N 3.01Å; G162-S269 PolarHBondContact O-OG 3.34Å |
| 163 | V | 97.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.3 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | V148 G149 V150 V161 C176 F178 L187 L190 | V148-V163 HydrophobicContact CG2-CG1 3.28Å; G149-V163 WeakPolarHBondContact O-CA 3.39Å; V150-V163 HydrophobicContact CG1-CG2 4.5Å; V150-V163 HydrophobicContact CG2-CG2 4.28Å; V161-V163 HydrophobicContact CG1-CG2 4.06Å; V163-C176 HydrophobicContact CB-CB 4.35Å; V163-C176 PolarHBondContact N-O 3.4Å; V163-C176 PolarHBondContact O-N 3.36Å; V163-F178 HydrophobicContact CG2-CE1 3.88Å; V163-F178 HydrophobicContact CG2-CZ 4.11Å; V163-L187 HydrophobicContact CG2-CD1 3.81Å; V163-L190 HydrophobicContact CB-CD2 3.92Å; V163-L190 HydrophobicContact CG1-CD2 4.01Å; V163-L190 HydrophobicContact CG2-CD2 3.77Å |
| 164 | G | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V148 G149 G174 | V148-G164 CarbonylContact C-O 3.59Å; V148-G164 WeakPolarHBondContact CA-O 3.35Å; G149-G164 PolarHBondContact N-O 3.23Å; G149-G164 PolarHBondContact O-N 3.35Å; G164-G174 WeakPolarHBondContact CA-O 3.33Å |
| 165 | Y | 95.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 163.4 | 177 | 69.8 | -90.6 | 0 | 0 | 0 | 111.3 | V147 G174 I194 L270 F294 | V147-Y165 WeakPolarHBondContact O-CA 3.45Å; V147-Y165 WeakPolarHBondContact O-CB 3.39Å; Y165-G174 PolarHBondContact N-O 3.29Å; Y165-G174 PolarHBondContact O-N 2.65Å; Y165-I194 HydrophobicContact CD1-CD1 3.65Å; Y165-I194 HydrophobicContact CE1-CD1 3.89Å; Y165-I194 HydrophobicContact CE1-CG1 4.49Å; Y165-I194 HydrophobicContact CG-CD1 4.25Å; Y165-L270 WeakPolarHBondContact O-CD1 3.42Å; Y165-F294 HydrophobicContact CE1-CB 3.93Å; Y165-F294 HydrophobicContact CE1-CD2 4.43Å; Y165-F294 HydrophobicContact CE1-CG 4.33Å; Y165-F294 WeakPolarHBondContact OH-CD2 3.42Å |
| 166 | V | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.1 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | V147 L173 L270 V273 L277 L279 F289 | V147-V166 PolarHBondContact O-N 3.28Å; V166-L173 HydrophobicContact CB-CD2 4.33Å; V166-L173 HydrophobicContact CG1-CD2 4.02Å; V166-L173 HydrophobicContact CG2-CD2 3.61Å; V166-L270 HydrophobicContact CG2-CD1 4.01Å; V166-V273 HydrophobicContact CB-CG1 4.19Å; V166-V273 HydrophobicContact CG2-CB 4.38Å; V166-V273 HydrophobicContact CG2-CG1 3.59Å; V166-L277 HydrophobicContact CB-CD1 3.64Å; V166-L277 HydrophobicContact CG1-CD1 3.86Å; V166-L277 HydrophobicContact CG2-CD1 3.97Å; V166-L279 HydrophobicContact CG1-CD1 4.17Å; V166-L279 HydrophobicContact CG2-CD1 4.35Å; V166-F289 HydrophobicContact CG1-CE1 3.75Å; V166-F289 HydrophobicContact CG1-CZ 4.3Å |
| 167 | D | 87 | Confident | 91.1 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 106.8 | 166.5 | -166.6 | -36.2 | 0 | 0 | 0 | 108.8 | I169 Q170 R171 K172 | D167-I169 VanDerWaalsContact C-N 3.32Å; D167-I169 PolarHBondContact OD1-N 3.22Å; D167-Q170 HydrophobicContact CB-CB 4.21Å; D167-Q170 PolarHBondContact OD1-N 2.9Å; D167-R171 VanDerWaalsContact O-CA 3.32Å; D167-R171 WeakPolarHBondContact O-CA 3.36Å; D167-R171 PolarHBondContact O-N 3.37Å; D167-K172 HydrophobicContact CB-CB 4.3Å; D167-K172 PolarHBondContact N-O 2.88Å; D167-K172 PolarHBondContact O-N 3Å; D167-K172 VanDerWaalsContact O-N 3.08Å |
| 168 | S | 79.6 | Confident | 91.7 | Very high | 29 Ų | 29 | 23.7 Ų | 23.7 | 20% | 0.203 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23 | -177.8 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | R171 | S168-R171 WeakPolarHBondContact O-CD 3.48Å; S168-R171 PolarHBondContact O-NE 3.35Å |
| 169 | I | 79.7 | Confident | 92 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 19% | 0.185 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -49 | -177.4 | -61.8 | 174.5 | 0 | 0 | 0 | 109.2 | D167 R171 N388 | D167-I169 VanDerWaalsContact C-N 3.32Å; D167-I169 PolarHBondContact OD1-N 3.22Å; I169-R171 PolarHBondContact O-N 2.91Å; I169-N388 HydrophobicContact CG2-CB 4.14Å |
| 170 | Q | 80.9 | Confident | 92.1 | Very high | 51 Ų | 51 | 20.3 Ų | 20.3 | 24% | 0.238 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.9 | 179.8 | -66 | -66.1 | -17.4 | 0 | 0 | 113.1 | D167 K172 | D167-Q170 HydrophobicContact CB-CB 4.21Å; D167-Q170 PolarHBondContact OD1-N 2.9Å; Q170-K172 VanDerWaalsContact C-N 3.34Å; Q170-K172 HydrophobicContact CB-CD 4.35Å; Q170-K172 HydrophobicContact CB-CG 4.33Å; Q170-K172 PolarHBondContact O-N 2.99Å |
| 171 | R | 85.9 | Confident | 91.9 | Very high | 15 Ų | 15 | 20.6 Ų | 20.6 | 6% | 0.057 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 47.3 | -177.8 | -58.1 | -59 | -171.8 | 162.2 | 5.4 | 112.5 | D167 S168 I169 N285 Q288 F289 E290 | D167-R171 VanDerWaalsContact O-CA 3.32Å; D167-R171 WeakPolarHBondContact O-CA 3.36Å; D167-R171 PolarHBondContact O-N 3.37Å; S168-R171 WeakPolarHBondContact O-CD 3.48Å; S168-R171 PolarHBondContact O-NE 3.35Å; I169-R171 PolarHBondContact O-N 2.91Å; R171-N285 PolarHBondContact NH1-OD1 3.36Å; R171-Q288 WeakPolarHBondContact CB-O 3Å; R171-F289 VanDerWaalsContact C-CD1 3.44Å; R171-F289 HydrophobicContact CB-CD1 4.38Å; R171-F289 CarbonylContact O-C 3.54Å; R171-F289 VanDerWaalsContact O-CA 3.23Å; R171-F289 WeakPolarHBondContact O-CA 3.47Å; R171-E290 PolarHBondContact O-N 3.19Å |
| 172 | K | 90.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 33% | 0.326 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134 | 178.3 | -66.8 | -179.8 | -177.8 | 177.3 | 0 | 111.6 | D167 Q170 E290 T292 | D167-K172 HydrophobicContact CB-CB 4.3Å; D167-K172 PolarHBondContact N-O 2.88Å; D167-K172 PolarHBondContact O-N 3Å; D167-K172 VanDerWaalsContact O-N 3.08Å; Q170-K172 VanDerWaalsContact C-N 3.34Å; Q170-K172 HydrophobicContact CB-CD 4.35Å; Q170-K172 HydrophobicContact CB-CG 4.33Å; Q170-K172 PolarHBondContact O-N 2.99Å; K172-E290 CarbonylContact C-O 3.58Å; K172-E290 WeakPolarHBondContact CA-O 3.37Å; K172-T292 HydrophobicContact CD-CG2 4.27Å; K172-T292 HydrophobicContact CG-CG2 4.46Å |
| 173 | L | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.3 | 163.4 | -60.6 | 178.3 | 0 | 0 | 0 | 107.1 | V166 L241 L244 L245 L270 L279 F289 E290 L291 T292 | V166-L173 HydrophobicContact CB-CD2 4.33Å; V166-L173 HydrophobicContact CG1-CD2 4.02Å; V166-L173 HydrophobicContact CG2-CD2 3.61Å; L173-L241 HydrophobicContact CD1-CD2 3.5Å; L173-L241 VanDerWaalsContact CD1-CD2 3.5Å; L173-L244 HydrophobicContact CD1-CB 4.45Å; L173-L245 HydrophobicContact CD1-CD2 3.96Å; L173-L270 HydrophobicContact CB-CD1 4.35Å; L173-L270 HydrophobicContact CB-CD2 4.14Å; L173-L270 HydrophobicContact CD2-CD1 4.34Å; L173-L279 HydrophobicContact CD2-CD1 4.37Å; L173-F289 HydrophobicContact CD1-CB 4.01Å; L173-F289 HydrophobicContact CD1-CG 4.39Å; L173-F289 HydrophobicContact CD2-CD1 3.73Å; L173-F289 HydrophobicContact CD2-CE1 4.14Å; L173-F289 HydrophobicContact CD2-CG 4.16Å; L173-F289 HydrophobicContact CG-CB 3.83Å; L173-F289 HydrophobicContact CG-CD1 3.81Å; L173-F289 HydrophobicContact CG-CG 3.98Å; L173-E290 PolarHBondContact N-O 3.35Å; L173-L291 HydrophobicContact CB-CD1 3.82Å; L173-T292 PolarHBondContact O-N 2.9Å; L173-T292 PolarHBondContact O-OG1 2.94Å |
| 174 | G | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G164 Y165 T292 | G164-G174 WeakPolarHBondContact CA-O 3.33Å; Y165-G174 PolarHBondContact N-O 3.29Å; Y165-G174 PolarHBondContact O-N 2.65Å; G174-T292 WeakPolarHBondContact CA-O 3.34Å |
| 175 | L | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.9 | 171.8 | -67.5 | 173.9 | 0 | 0 | 0 | 110 | E260 A266 V267 L270 L291 T292 T293 F294 | L175-E260 HydrophobicContact CD1-CB 4.14Å; L175-A266 HydrophobicContact CB-CB 4.26Å; L175-A266 HydrophobicContact CD2-CB 3.87Å; L175-V267 HydrophobicContact CD1-CG2 4.03Å; L175-V267 HydrophobicContact CD2-CG2 4.16Å; L175-L270 HydrophobicContact CD2-CB 3.71Å; L175-L270 HydrophobicContact CD2-CD2 3.63Å; L175-L270 HydrophobicContact CD2-CG 4.28Å; L175-L270 HydrophobicContact CG-CD2 4.06Å; L175-L291 HydrophobicContact CD1-CD1 3.87Å; L175-L291 HydrophobicContact CD1-CD2 4.24Å; L175-L291 HydrophobicContact CD1-CG 4.28Å; L175-L291 HydrophobicContact CG-CD1 4.14Å; L175-T292 PolarHBondContact N-O 3.06Å; L175-T293 CarbonylContact O-C 3.59Å; L175-T293 VanDerWaalsContact O-CA 3.31Å; L175-T293 WeakPolarHBondContact O-CA 3.41Å; L175-F294 PolarHBondContact O-N 3.16Å |
| 176 | C | 96.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 125.7 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | V163 F178 L190 A266 F294 | V163-C176 HydrophobicContact CB-CB 4.35Å; V163-C176 PolarHBondContact N-O 3.4Å; V163-C176 PolarHBondContact O-N 3.36Å; C176-F178 VanDerWaalsContact SG-CD1 3.58Å; C176-L190 HydrophobicContact CB-CD2 4.15Å; C176-A266 WeakPolarHBondContact O-CB 3.48Å; C176-F294 HydrophobicContact CB-CB 4.3Å; C176-F294 PolarHBondContact SG-O 2.87Å |
| 177 | E | 96.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.5 | 178.5 | -165.7 | 166.8 | 145.8 | 0 | 0 | 110.1 | Q160 V161 N263 Q264 V265 A266 | Q160-E177 HydrophobicContact CG-CG 3.83Å; V161-E177 WeakPolarHBondContact O-CA 3.11Å; E177-N263 HydrophobicContact CB-CB 4.06Å; E177-N263 WeakPolarHBondContact OE2-CA 3.4Å; E177-N263 WeakPolarHBondContact OE2-CB 3.36Å; E177-Q264 PolarHBondContact OE2-N 3.4Å; E177-V265 HydrophobicContact CG-CB 4.37Å; E177-V265 WeakPolarHBondContact OE1-CG2 3.45Å; E177-V265 WeakPolarHBondContact OE2-CB 3.27Å; E177-V265 PolarHBondContact OE2-N 3.14Å; E177-A266 HydrophobicContact CB-CB 4.13Å; E177-A266 PolarHBondContact OE2-N 2.95Å; E177-A266 VanDerWaalsContact OE2-N 3.14Å |
| 178 | F | 95.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 154.5 | -173.9 | 53.4 | -85.3 | 0 | 0 | 0 | 112.9 | V161 V163 C176 D180 N186 L187 L190 F296 | V161-F178 HydrophobicContact CB-CD2 4.42Å; V161-F178 HydrophobicContact CB-CE2 3.99Å; V161-F178 HydrophobicContact CB-CZ 4.12Å; V161-F178 HydrophobicContact CG1-CE2 4.31Å; V161-F178 HydrophobicContact CG1-CZ 4.02Å; V161-F178 PolarHBondContact N-O 3.41Å; V161-F178 PolarHBondContact O-N 3.07Å; V163-F178 HydrophobicContact CG2-CE1 3.88Å; V163-F178 HydrophobicContact CG2-CZ 4.11Å; C176-F178 VanDerWaalsContact SG-CD1 3.58Å; F178-D180 HydrophobicContact CD2-CB 4.5Å; F178-D180 HydrophobicContact CE2-CB 4.44Å; F178-N186 HydrophobicContact CD2-CB 3.64Å; F178-N186 HydrophobicContact CE2-CB 3.6Å; F178-L187 HydrophobicContact CE2-CB 4.23Å; F178-L187 HydrophobicContact CZ-CB 4.17Å; F178-L187 HydrophobicContact CZ-CD1 4.2Å; F178-L190 HydrophobicContact CD1-CD2 4.39Å; F178-L190 HydrophobicContact CE1-CD2 3.34Å; F178-L190 HydrophobicContact CZ-CD2 3.74Å; F178-F296 HydrophobicContact CB-CE1 3.64Å; F178-F296 HydrophobicContact CB-CZ 4Å; F178-F296 HydrophobicContact CD1-CD1 4.24Å; F178-F296 AromaticContact CD1-CE1 3.65Å; F178-F296 HydrophobicContact CD1-CE1 3.65Å; F178-F296 HydrophobicContact CD2-CE1 4.06Å; F178-F296 HydrophobicContact CD2-CZ 4.39Å; F178-F296 HydrophobicContact CE1-CE1 4.33Å; F178-F296 HydrophobicContact CG-CD1 4.47Å; F178-F296 AromaticContact CG-CE1 3.5Å; F178-F296 HydrophobicContact CG-CE1 3.5Å; F178-F296 VanDerWaalsContact CG-CE1 3.5Å; F178-F296 HydrophobicContact CG-CZ 4.11Å |
| 179 | P | 94.8 | Very high | 91.5 | Very high | 60 Ų | 60 | 24.8 Ų | 24.8 | 39% | 0.39 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 147 | 169.8 | 31.6 | -34.4 | 0 | 0 | 0 | 110.9 | Q158 R159 N186 | Q158-P179 HydrophobicContact CG-CB 3.87Å; R159-P179 WeakPolarHBondContact O-CA 3.32Å; P179-N186 PolarHBondContact O-ND2 3.43Å |
| 180 | D | 93.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 12% | 0.119 | C | C | . | . | trans | -137.1 | 162.2 | 176.8 | -144.7 | -18.7 | 0 | 0 | 0 | 112.7 | R159 V161 F178 F184 S185 N186 L187 | R159-D180 PolarHBondContact O-N 2.78Å; V161-D180 HydrophobicContact CG2-CB 3.9Å; F178-D180 HydrophobicContact CD2-CB 4.5Å; F178-D180 HydrophobicContact CE2-CB 4.44Å; D180-F184 HydrophobicContact CB-CD1 4.39Å; D180-F184 VanDerWaalsContact OD2-C 3.29Å; D180-F184 VanDerWaalsContact OD2-CA 3.25Å; D180-F184 WeakPolarHBondContact OD2-CA 3.34Å; D180-S185 PolarHBondContact OD1-N 2.88Å; D180-N186 PolarHBondContact OD1-N 3.49Å; D180-N186 PolarHBondContact OD2-N 2.86Å; D180-L187 PolarHBondContact OD2-N 2.65Å | ||
| 181 | N | 89.3 | Confident | 92.8 | Very high | 43 Ų | 43 | 21 Ų | 21 | 23% | 0.23 | 11% | 0.109 | C | C | . | . | trans | -93.9 | 179.3 | 176.4 | 63.8 | 38.1 | 0 | 0 | 0 | 111.4 | R159 Q183 F184 S185 | R159-N181 PolarHBondContact NH1-O 2.94Å; N181-Q183 PolarHBondContact O-N 2.84Å; N181-Q183 VanDerWaalsContact O-N 3.16Å; N181-Q183 WeakPolarHBondContact OD1-CA 3.47Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.45Å; N181-Q183 PolarHBondContact OD1-N 2.9Å; N181-F184 PolarHBondContact O-N 3.35Å; N181-F184 VanDerWaalsContact O-N 3.1Å; N181-F184 PolarHBondContact OD1-N 2.91Å; N181-S185 PolarHBondContact ND2-OG 3.48Å; N181-S185 PolarHBondContact OD1-OG 2.87Å | ||
| 182 | D | 87.5 | Confident | 93.1 | Very high | 76 Ų | 76 | 21.5 Ų | 21.5 | 41% | 0.406 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.1 | -179.8 | -72.4 | -41.7 | 0 | 0 | 0 | 115.6 | R159 | R159-D182 IonicContact CZ-OD1 2.78Å; R159-D182 IonicContact NH1-OD1 2.65Å; R159-D182 PolarHBondContact NH1-OD1 3.26Å; R159-D182 IonicContact NH2-OD1 3.98Å; R159-D182 PolarHBondContact NH2-OD1 3.49Å |
| 183 | Q | 85.5 | Confident | 93.1 | Very high | 43 Ų | 43 | 18 Ų | 18 | 20% | 0.201 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.9 | 177.5 | -51.9 | -55.3 | -38.3 | 0 | 0 | 112.1 | N181 S185 | N181-Q183 PolarHBondContact O-N 2.84Å; N181-Q183 VanDerWaalsContact O-N 3.16Å; N181-Q183 WeakPolarHBondContact OD1-CA 3.47Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.45Å; N181-Q183 PolarHBondContact OD1-N 2.9Å; Q183-S185 PolarHBondContact O-N 2.66Å |
| 184 | F | 92.1 | Very high | 93 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | trans | 54.5 | 39 | -175.4 | -63.9 | -74.8 | 0 | 0 | 0 | 113.5 | M152 V161 D180 N181 N186 L187 E188 K212 L213 I216 | M152-F184 HydrophobicContact CE-CE1 3.82Å; M152-F184 HydrophobicContact CE-CZ 3.7Å; M152-F184 HydrophobicContact SD-CZ 4.38Å; V161-F184 HydrophobicContact CG2-CD1 4.33Å; V161-F184 HydrophobicContact CG2-CE1 4.23Å; D180-F184 HydrophobicContact CB-CD1 4.39Å; D180-F184 VanDerWaalsContact OD2-C 3.29Å; D180-F184 VanDerWaalsContact OD2-CA 3.25Å; D180-F184 WeakPolarHBondContact OD2-CA 3.34Å; N181-F184 PolarHBondContact O-N 3.35Å; N181-F184 VanDerWaalsContact O-N 3.1Å; N181-F184 PolarHBondContact OD1-N 2.91Å; F184-N186 VanDerWaalsContact C-N 3.33Å; F184-N186 PolarHBondContact O-N 2.65Å; F184-L187 HydrophobicContact CB-CB 4.24Å; F184-L187 PolarHBondContact O-N 3.1Å; F184-E188 PolarHBondContact O-N 3.36Å; F184-K212 HydrophobicContact CD2-CB 4.34Å; F184-K212 HydrophobicContact CE2-CB 3.88Å; F184-L213 HydrophobicContact CE2-CB 4.28Å; F184-L213 HydrophobicContact CZ-CB 4.36Å; F184-I216 HydrophobicContact CB-CG1 4.19Å; F184-I216 HydrophobicContact CD2-CG1 4.44Å | ||
| 185 | S | 90.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 11% | 0.105 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | -175.8 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | D180 N181 Q183 A189 S738 | D180-S185 PolarHBondContact OD1-N 2.88Å; N181-S185 PolarHBondContact ND2-OG 3.48Å; N181-S185 PolarHBondContact OD1-OG 2.87Å; Q183-S185 PolarHBondContact O-N 2.66Å; S185-A189 PolarHBondContact O-N 2.91Å; S185-A189 VanDerWaalsContact O-N 3.14Å; S185-S738 WeakPolarHBondContact CB-OG 3.4Å; S185-S738 PolarHBondContact OG-OG 2.75Å |
| 186 | N | 94.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 20.1 Ų | 20.1 | 17% | 0.166 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.1 | -39.6 | 178.6 | -74.4 | -31.8 | 0 | 0 | 0 | 110.2 | F178 P179 D180 F184 A189 L190 F296 K301 | F178-N186 HydrophobicContact CD2-CB 3.64Å; F178-N186 HydrophobicContact CE2-CB 3.6Å; P179-N186 PolarHBondContact O-ND2 3.43Å; D180-N186 PolarHBondContact OD1-N 3.49Å; D180-N186 PolarHBondContact OD2-N 2.86Å; F184-N186 VanDerWaalsContact C-N 3.33Å; F184-N186 PolarHBondContact O-N 2.65Å; N186-A189 PolarHBondContact O-N 3.21Å; N186-L190 WeakPolarHBondContact O-CB 3.37Å; N186-L190 PolarHBondContact O-N 3.39Å; N186-F296 HydrophobicContact CB-CZ 4.23Å; N186-K301 PolarHBondContact OD1-NZ 3.23Å |
| 187 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -43 | 174.5 | 179.3 | 67.5 | 0 | 0 | 0 | 112.3 | V150 V161 V163 F178 D180 F184 A189 L190 L191 L213 | V150-L187 HydrophobicContact CG1-CD1 4.38Å; V150-L187 HydrophobicContact CG1-CD2 4.31Å; V150-L187 HydrophobicContact CG2-CD1 4.31Å; V161-L187 HydrophobicContact CG1-CD1 4.26Å; V163-L187 HydrophobicContact CG2-CD1 3.81Å; F178-L187 HydrophobicContact CE2-CB 4.23Å; F178-L187 HydrophobicContact CZ-CB 4.17Å; F178-L187 HydrophobicContact CZ-CD1 4.2Å; D180-L187 PolarHBondContact OD2-N 2.65Å; F184-L187 HydrophobicContact CB-CB 4.24Å; F184-L187 PolarHBondContact O-N 3.1Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.46Å; L187-L190 PolarHBondContact O-N 3.37Å; L187-L191 HydrophobicContact CD1-CD1 4.14Å; L187-L191 HydrophobicContact CD1-CD2 4.36Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.42Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 HydrophobicContact CG-CG 4.16Å; L187-L191 WeakPolarHBondContact O-CB 3.36Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.41Å; L187-L191 PolarHBondContact O-N 3.25Å; L187-L213 HydrophobicContact CD2-CD1 3.04Å |
| 188 | E | 93.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -49.2 | 176.4 | -174.9 | 174.4 | -179 | 0 | 0 | 110.6 | F184 L190 L191 I192 I216 R219 I304 | F184-E188 PolarHBondContact O-N 3.36Å; E188-L190 PolarHBondContact O-N 3.28Å; E188-L191 PolarHBondContact O-N 3.24Å; E188-I192 HydrophobicContact CG-CD1 4.2Å; E188-I192 WeakPolarHBondContact O-CD1 3.32Å; E188-I192 WeakPolarHBondContact O-CG1 3.42Å; E188-I192 PolarHBondContact O-N 3.11Å; E188-I192 VanDerWaalsContact O-N 3.11Å; E188-I216 HydrophobicContact CB-CG2 3.98Å; E188-I216 HydrophobicContact CG-CG2 4.39Å; E188-R219 IonicContact OE2-NH1 2.92Å; E188-I304 HydrophobicContact CG-CD1 3.94Å; E188-I304 HydrophobicContact CG-CG1 3.95Å; E188-I304 WeakPolarHBondContact OE1-CB 3.31Å; E188-I304 VanDerWaalsContact OE1-CD1 3.24Å; E188-I304 WeakPolarHBondContact OE1-CD1 3.47Å; E188-I304 WeakPolarHBondContact OE1-CG1 3.35Å; E188-I304 PolarHBondContact OE1-N 3.42Å |
| 189 | A | 93.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S185 N186 L187 L191 I192 Q193 K301 | S185-A189 PolarHBondContact O-N 2.91Å; S185-A189 VanDerWaalsContact O-N 3.14Å; N186-A189 PolarHBondContact O-N 3.21Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.46Å; A189-L191 PolarHBondContact O-N 3.18Å; A189-I192 PolarHBondContact O-N 2.92Å; A189-Q193 WeakPolarHBondContact O-CG 3.24Å; A189-Q193 PolarHBondContact O-N 3.21Å; A189-K301 HydrophobicContact CB-CB 3.69Å; A189-K301 HydrophobicContact CB-CD 4.42Å; A189-K301 HydrophobicContact CB-CG 3.94Å |
| 190 | L | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 178.5 | 177.2 | 63.6 | 0 | 0 | 0 | 112 | V163 C176 F178 N186 L187 E188 I192 Q193 I194 F294 F296 | V163-L190 HydrophobicContact CB-CD2 3.92Å; V163-L190 HydrophobicContact CG1-CD2 4.01Å; V163-L190 HydrophobicContact CG2-CD2 3.77Å; C176-L190 HydrophobicContact CB-CD2 4.15Å; F178-L190 HydrophobicContact CD1-CD2 4.39Å; F178-L190 HydrophobicContact CE1-CD2 3.34Å; F178-L190 HydrophobicContact CZ-CD2 3.74Å; N186-L190 WeakPolarHBondContact O-CB 3.37Å; N186-L190 PolarHBondContact O-N 3.39Å; L187-L190 PolarHBondContact O-N 3.37Å; E188-L190 PolarHBondContact O-N 3.28Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 2.92Å; L190-Q193 PolarHBondContact O-N 3.47Å; L190-I194 HydrophobicContact CD1-CD1 3.7Å; L190-I194 HydrophobicContact CD1-CG1 4.05Å; L190-I194 HydrophobicContact CG-CD1 3.87Å; L190-I194 HydrophobicContact CG-CG1 4.49Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 3.11Å; L190-F294 HydrophobicContact CD1-CD1 3.32Å; L190-F294 HydrophobicContact CD1-CE1 3.32Å; L190-F294 HydrophobicContact CD1-CG 4.38Å; L190-F294 HydrophobicContact CD1-CZ 4.36Å; L190-F296 HydrophobicContact CD1-CB 4.22Å |
| 191 | L | 93.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -34.9 | 178 | -70 | 175.8 | 0 | 0 | 0 | 111.6 | V148 L187 E188 A189 G195 P196 I217 I222 | V148-L191 HydrophobicContact CG1-CD2 3.94Å; V148-L191 HydrophobicContact CG2-CD2 4.42Å; L187-L191 HydrophobicContact CD1-CD1 4.14Å; L187-L191 HydrophobicContact CD1-CD2 4.36Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.42Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 HydrophobicContact CG-CG 4.16Å; L187-L191 WeakPolarHBondContact O-CB 3.36Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.41Å; L187-L191 PolarHBondContact O-N 3.25Å; E188-L191 PolarHBondContact O-N 3.24Å; A189-L191 PolarHBondContact O-N 3.18Å; L191-G195 VanDerWaalsContact O-CA 3.31Å; L191-G195 WeakPolarHBondContact O-CA 3.29Å; L191-G195 PolarHBondContact O-N 2.87Å; L191-P196 HydrophobicContact CD2-CG 4Å; L191-P196 WeakPolarHBondContact O-CD 3.35Å; L191-I217 HydrophobicContact CD1-CG1 3.87Å; L191-I222 HydrophobicContact CB-CD1 4.04Å; L191-I222 HydrophobicContact CD1-CD1 4.11Å; L191-I222 HydrophobicContact CD2-CD1 4.27Å; L191-I222 HydrophobicContact CG-CD1 4.37Å |
| 192 | I | 91.4 | Very high | 91.7 | Very high | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.128 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 173.9 | -70.6 | 161.4 | 0 | 0 | 0 | 111 | E188 A189 L190 G195 L302 D303 I304 V307 | E188-I192 HydrophobicContact CG-CD1 4.2Å; E188-I192 WeakPolarHBondContact O-CD1 3.32Å; E188-I192 WeakPolarHBondContact O-CG1 3.42Å; E188-I192 PolarHBondContact O-N 3.11Å; E188-I192 VanDerWaalsContact O-N 3.11Å; A189-I192 PolarHBondContact O-N 2.92Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 2.92Å; I192-G195 PolarHBondContact O-N 3.04Å; I192-L302 HydrophobicContact CD1-CB 4.38Å; I192-L302 WeakPolarHBondContact CD1-O 3.39Å; I192-L302 HydrophobicContact CG2-CB 4.29Å; I192-L302 HydrophobicContact CG2-CD1 4.43Å; I192-D303 VanDerWaalsContact CD1-C 3.49Å; I192-I304 HydrophobicContact CD1-CG1 4.12Å; I192-V307 HydrophobicContact CD1-CG2 4Å; I192-V307 HydrophobicContact CG1-CG2 4.22Å; I192-V307 HydrophobicContact CG2-CG2 3.59Å |
| 193 | Q | 91.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | -178.5 | -71.6 | 174.3 | 0.5 | 0 | 0 | 112.5 | A189 L190 F294 F296 M300 K347 Q348 | A189-Q193 WeakPolarHBondContact O-CG 3.24Å; A189-Q193 PolarHBondContact O-N 3.21Å; L190-Q193 PolarHBondContact O-N 3.47Å; Q193-F294 HydrophobicContact CB-CZ 4.22Å; Q193-F296 PolarHBondContact NE2-O 2.83Å; Q193-F296 VanDerWaalsContact OE1-CB 3.28Å; Q193-M300 PolarHBondContact NE2-O 3.37Å; Q193-K347 WeakPolarHBondContact CG-O 3.37Å; Q193-Q348 HydrophobicContact CB-CG 4.21Å; Q193-Q348 PolarHBondContact O-NE2 3.47Å |
| 194 | I | 91.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 15.3 Ų | 15.3 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71.4 | -48.3 | 174.4 | -65.2 | 174.5 | 0 | 0 | 0 | 109.5 | Y165 L190 P196 K347 | Y165-I194 HydrophobicContact CD1-CD1 3.65Å; Y165-I194 HydrophobicContact CE1-CD1 3.89Å; Y165-I194 HydrophobicContact CE1-CG1 4.49Å; Y165-I194 HydrophobicContact CG-CD1 4.25Å; L190-I194 HydrophobicContact CD1-CD1 3.7Å; L190-I194 HydrophobicContact CD1-CG1 4.05Å; L190-I194 HydrophobicContact CG-CD1 3.87Å; L190-I194 HydrophobicContact CG-CG1 4.49Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 3.11Å; I194-P196 HydrophobicContact CG2-CB 4.42Å; I194-P196 HydrophobicContact CG2-CG 4.47Å; I194-K347 PolarHBondContact O-NZ 2.94Å |
| 195 | G | 88.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 23.5 Ų | 23.5 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | trans | 66.4 | 51.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L191 I192 | L191-G195 VanDerWaalsContact O-CA 3.31Å; L191-G195 WeakPolarHBondContact O-CA 3.29Å; L191-G195 PolarHBondContact O-N 2.87Å; I192-G195 PolarHBondContact O-N 3.04Å | ||
| 196 | P | 89.7 | Confident | 88.7 | Confident | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | trans | -69.3 | 156.1 | 179.1 | 32.7 | -33.7 | 0 | 0 | 0 | 111.1 | G146 V148 L191 I194 I222 | G146-P196 VanDerWaalsContact O-CA 3.25Å; G146-P196 WeakPolarHBondContact O-CA 3.35Å; G146-P196 VanDerWaalsContact O-CB 3.29Å; G146-P196 WeakPolarHBondContact O-CB 3.36Å; V148-P196 HydrophobicContact CB-CB 4Å; V148-P196 HydrophobicContact CB-CG 4.11Å; V148-P196 HydrophobicContact CG1-CB 3.8Å; V148-P196 HydrophobicContact CG1-CG 3.6Å; L191-P196 HydrophobicContact CD2-CG 4Å; L191-P196 WeakPolarHBondContact O-CD 3.35Å; I194-P196 HydrophobicContact CG2-CB 4.42Å; I194-P196 HydrophobicContact CG2-CG 4.47Å; P196-I222 HydrophobicContact CG-CD1 3.9Å; P196-I222 HydrophobicContact CG-CG1 4.43Å; P196-I222 HydrophobicContact CG-CG2 4.44Å | ||
| 197 | K | 86.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 29.2 Ų | 29.2 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -97.1 | -20.5 | 173.9 | -69.2 | -61.4 | -175.6 | -177.4 | 0 | 113.2 | P125 I145 G146 L223 | P125-K197 WeakPolarHBondContact O-CB 3.4Å; I145-K197 HydrophobicContact CG1-CG 4.39Å; I145-K197 HydrophobicContact CG2-CB 4.29Å; I145-K197 HydrophobicContact CG2-CG 4.28Å; G146-K197 PolarHBondContact O-N 2.87Å; K197-L223 PolarHBondContact O-N 2.84Å |
| 198 | E | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 140.2 | -179 | -164.9 | 169.8 | -176.3 | 0 | 0 | 110.2 | R99 S124 G126 V147 V148 L223 T225 F276 | R99-E198 IonicContact CZ-OE1 3.65Å; R99-E198 IonicContact NE-OE1 3.34Å; R99-E198 PolarHBondContact NE-OE1 3.46Å; R99-E198 IonicContact NH2-OE1 3.73Å; S124-E198 WeakPolarHBondContact CB-OE2 3.41Å; S124-E198 PolarHBondContact OG-OE2 2.95Å; G126-E198 PolarHBondContact N-OE2 3.3Å; V147-E198 WeakPolarHBondContact CA-O 3.44Å; V148-E198 PolarHBondContact N-O 2.89Å; E198-L223 CarbonylContact C-O 3.5Å; E198-L223 WeakPolarHBondContact CA-O 3.46Å; E198-L223 HydrophobicContact CG-CB 4.34Å; E198-L223 HydrophobicContact CG-CD2 4.26Å; E198-L223 HydrophobicContact CG-CG 4.44Å; E198-T225 VanDerWaalsContact CG-OG1 3.31Å; E198-T225 WeakPolarHBondContact CG-OG1 3.16Å; E198-T225 PolarHBondContact OE1-OG1 2.83Å; E198-F276 WeakPolarHBondContact OE1-CZ 3.41Å |
| 199 | C | 94.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.5 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | V148 I217 I222 L223 T225 | V148-C199 HydrophobicContact CG1-CB 3.72Å; V148-C199 CarbonylContact O-C 3.58Å; V148-C199 VanDerWaalsContact O-CA 3.23Å; V148-C199 WeakPolarHBondContact O-CA 3.47Å; C199-I217 HydrophobicContact CB-CG2 3.81Å; C199-I222 HydrophobicContact CB-CG2 3.76Å; C199-L223 PolarHBondContact N-O 3.35Å; C199-T225 PolarHBondContact O-N 3.05Å |
| 200 | V | 94.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.6 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 111 | V147 V148 G149 V150 T225 R227 A272 V273 F276 | V147-V200 HydrophobicContact CG1-CG1 4.1Å; V148-V200 PolarHBondContact O-N 3.46Å; G149-V200 VanDerWaalsContact CA-CG2 3.44Å; G149-V200 WeakPolarHBondContact CA-O 3.4Å; V150-V200 PolarHBondContact N-O 3.46Å; V200-T225 WeakPolarHBondContact CA-O 3.32Å; V200-T225 HydrophobicContact CG1-CG2 4.29Å; V200-R227 HydrophobicContact CB-CG 3.93Å; V200-R227 HydrophobicContact CG1-CG 4.1Å; V200-A272 HydrophobicContact CG2-CB 4.33Å; V200-V273 HydrophobicContact CG2-CG2 3.8Å; V200-F276 HydrophobicContact CG1-CB 4.08Å; V200-F276 HydrophobicContact CG1-CD1 3.94Å; V200-F276 HydrophobicContact CG1-CD2 4Å; V200-F276 HydrophobicContact CG1-CE1 4.38Å; V200-F276 HydrophobicContact CG1-CE2 4.46Å; V200-F276 HydrophobicContact CG1-CG 3.71Å |
| 201 | L | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.8 | 178.8 | -63.6 | -177.9 | 0 | 0 | 0 | 110.8 | V150 G203 L213 R214 I217 I224 T225 R227 | V150-L201 HydrophobicContact CB-CD2 3.79Å; V150-L201 WeakPolarHBondContact O-CD2 3.31Å; L201-G203 PolarHBondContact O-N 3.29Å; L201-L213 HydrophobicContact CD2-CD2 3.95Å; L201-R214 HydrophobicContact CD1-CG 3.88Å; L201-I217 HydrophobicContact CD1-CD1 3.95Å; L201-I217 HydrophobicContact CD2-CD1 4.02Å; L201-I217 HydrophobicContact CG-CD1 4.4Å; L201-I224 HydrophobicContact CD1-CG2 3.75Å; L201-I224 HydrophobicContact CG-CG2 4.22Å; L201-T225 PolarHBondContact N-O 3.14Å; L201-R227 PolarHBondContact O-N 2.85Å |
| 202 | P | 91.4 | Very high | 84.9 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.5 | 173.4 | 27.8 | -32.6 | 0 | 0 | 0 | 110.4 | M210 F232 | P202-M210 HydrophobicContact CG-CE 4.1Å; P202-F232 VanDerWaalsContact CA-CE2 3.47Å; P202-F232 HydrophobicContact CB-CD2 3.84Å; P202-F232 HydrophobicContact CB-CE2 3.72Å; P202-F232 HydrophobicContact CB-CG 4.46Å; P202-F232 HydrophobicContact CB-CZ 4.25Å; P202-F232 HydrophobicContact CG-CE2 4.34Å; P202-F232 HydrophobicContact CG-CZ 4.37Å; P202-F232 VanDerWaalsContact N-CE2 3.35Å |
| 203 | G | 82.7 | Confident | 84.8 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | trans | -65.7 | 134.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L201 E226 R227 K229 | L201-G203 PolarHBondContact O-N 3.29Å; G203-E226 WeakPolarHBondContact CA-OE2 3.3Å; G203-R227 PolarHBondContact N-O 2.8Å; G203-K229 WeakPolarHBondContact O-CE 3.32Å; G203-K229 VanDerWaalsContact O-CG 3.28Å; G203-K229 WeakPolarHBondContact O-CG 3.5Å | ||
| 204 | G | 72.3 | Confident | 84.8 | Confident | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 162.2 | -158.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | T206 | G204-T206 PolarHBondContact O-N 2.64Š|
| 205 | E | 65.7 | Low | 84.6 | Confident | 174 Ų | 174 | 45.5 Ų | 45.5 | 81% | 0.813 | 28% | 0.276 | S | S | * | . | trans | -55 | 122.7 | 178 | -84.9 | -179.5 | 155.5 | 0 | 0 | 111.3 | ||||
| 206 | T | 72.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | trans | -93 | 0.1 | -178.6 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | G204 G211 | G204-T206 PolarHBondContact O-N 2.64Å; T206-G211 WeakPolarHBondContact O-CA 3.41Å; T206-G211 PolarHBondContact O-N 3.16Å | ||
| 207 | A | 62.3 | Low | 84.6 | Confident | 78 Ų | 78 | 45 Ų | 45 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -83.9 | 160.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 208 | G | 82.8 | Confident | 84.6 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M210 G211 K212 | G208-M210 VanDerWaalsContact C-N 3.33Å; G208-M210 PolarHBondContact O-N 3.49Å; G208-G211 PolarHBondContact O-N 3.32Å; G208-G211 VanDerWaalsContact O-N 3.09Å; G208-K212 PolarHBondContact O-N 3.28Å |
| 209 | D | 83 | Confident | 84.2 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | -173.3 | -68.8 | -8.8 | 0 | 0 | 0 | 113.1 | M152 R159 G211 K212 L213 | M152-D209 HydrophobicContact SD-CB 3.75Å; R159-D209 VanDerWaalsContact CZ-CG 3.43Å; R159-D209 IonicContact CZ-OD1 3.76Å; R159-D209 IonicContact CZ-OD2 3.8Å; R159-D209 IonicContact NE-OD2 2.84Å; R159-D209 PolarHBondContact NE-OD2 3.23Å; R159-D209 IonicContact NH2-OD1 3.85Å; R159-D209 PolarHBondContact NH2-OD1 3.23Å; R159-D209 IonicContact NH2-OD2 2.94Å; R159-D209 PolarHBondContact NH2-OD2 3.46Å; D209-G211 VanDerWaalsContact C-N 3.28Å; D209-G211 PolarHBondContact O-N 3.3Å; D209-K212 PolarHBondContact O-N 3.02Å; D209-L213 WeakPolarHBondContact O-CB 3.37Å; D209-L213 PolarHBondContact O-N 2.98Å |
| 210 | M | 84 | Confident | 83.6 | Confident | 30 Ų | 30 | 52 Ų | 52 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -31.3 | 176.9 | -70.4 | -61.9 | -67.5 | 0 | 0 | 112.2 | M152 P202 G208 L213 R214 | M152-M210 HydrophobicContact CE-SD 3.93Å; M152-M210 HydrophobicContact CG-SD 4.28Å; M152-M210 HydrophobicContact SD-SD 4.18Å; P202-M210 HydrophobicContact CG-CE 4.1Å; G208-M210 VanDerWaalsContact C-N 3.33Å; G208-M210 PolarHBondContact O-N 3.49Å; M210-L213 HydrophobicContact CE-CD2 4.24Å; M210-L213 HydrophobicContact SD-CD2 4.01Å; M210-R214 VanDerWaalsContact O-CD 3.29Å; M210-R214 WeakPolarHBondContact O-CD 3.25Å; M210-R214 WeakPolarHBondContact O-CG 3.45Å; M210-R214 PolarHBondContact O-N 3.35Å; M210-R214 VanDerWaalsContact O-N 3.11Å |
| 211 | G | 87 | Confident | 82.9 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T206 G208 D209 R214 Q215 | T206-G211 WeakPolarHBondContact O-CA 3.41Å; T206-G211 PolarHBondContact O-N 3.16Å; G208-G211 PolarHBondContact O-N 3.32Å; G208-G211 VanDerWaalsContact O-N 3.09Å; D209-G211 VanDerWaalsContact C-N 3.28Å; D209-G211 PolarHBondContact O-N 3.3Å; G211-R214 PolarHBondContact O-N 3.06Å; G211-Q215 WeakPolarHBondContact O-CG 3.42Å; G211-Q215 PolarHBondContact O-N 3.46Å |
| 212 | K | 86.1 | Confident | 82.6 | Confident | 92 Ų | 92 | 55 Ų | 55 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175 | -69 | -179.5 | -178.8 | 177.5 | 0 | 111.9 | F184 G208 D209 R214 Q215 I216 | F184-K212 HydrophobicContact CD2-CB 4.34Å; F184-K212 HydrophobicContact CE2-CB 3.88Å; G208-K212 PolarHBondContact O-N 3.28Å; D209-K212 PolarHBondContact O-N 3.02Å; K212-R214 VanDerWaalsContact C-N 3.31Å; K212-R214 PolarHBondContact O-N 3.2Å; K212-Q215 WeakPolarHBondContact O-CB 3.38Å; K212-Q215 PolarHBondContact O-N 3.09Å; K212-Q215 VanDerWaalsContact O-N 3.11Å; K212-I216 PolarHBondContact O-N 2.99Å; K212-I216 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 90.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.4 | -47.5 | 175.9 | 174.9 | 65.3 | 0 | 0 | 0 | 111.8 | V150 M152 F184 L187 L201 D209 M210 Q215 I216 I217 | V150-L213 HydrophobicContact CG1-CD1 4.21Å; V150-L213 HydrophobicContact CG1-CD2 4.08Å; M152-L213 HydrophobicContact CE-CB 3.8Å; M152-L213 HydrophobicContact CE-CD1 4.26Å; M152-L213 HydrophobicContact CE-CD2 3.4Å; M152-L213 VanDerWaalsContact CE-CD2 3.4Å; M152-L213 HydrophobicContact CE-CG 3.99Å; F184-L213 HydrophobicContact CE2-CB 4.28Å; F184-L213 HydrophobicContact CZ-CB 4.36Å; L187-L213 HydrophobicContact CD2-CD1 3.04Å; L201-L213 HydrophobicContact CD2-CD2 3.95Å; D209-L213 WeakPolarHBondContact O-CB 3.37Å; D209-L213 PolarHBondContact O-N 2.98Å; M210-L213 HydrophobicContact CE-CD2 4.24Å; M210-L213 HydrophobicContact SD-CD2 4.01Å; L213-Q215 VanDerWaalsContact C-N 3.3Å; L213-Q215 PolarHBondContact O-N 2.81Å; L213-I216 PolarHBondContact O-N 3.47Å; L213-I217 HydrophobicContact CD1-CD1 3.97Å; L213-I217 HydrophobicContact CD1-CG1 4.45Å; L213-I217 HydrophobicContact CD2-CD1 4.45Å; L213-I217 HydrophobicContact CG-CD1 3.86Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 2.63Å; L213-I217 VanDerWaalsContact O-N 3.1Å |
| 214 | R | 90.6 | Very high | 82.8 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 178.3 | -70.7 | 163.2 | 178 | -75.3 | -4.2 | 112 | L201 M210 G211 K212 I216 I217 Q218 I224 E226 | L201-R214 HydrophobicContact CD1-CG 3.88Å; M210-R214 VanDerWaalsContact O-CD 3.29Å; M210-R214 WeakPolarHBondContact O-CD 3.25Å; M210-R214 WeakPolarHBondContact O-CG 3.45Å; M210-R214 PolarHBondContact O-N 3.35Å; M210-R214 VanDerWaalsContact O-N 3.11Å; G211-R214 PolarHBondContact O-N 3.06Å; K212-R214 VanDerWaalsContact C-N 3.31Å; K212-R214 PolarHBondContact O-N 3.2Å; R214-I216 VanDerWaalsContact C-N 3.34Å; R214-I216 PolarHBondContact O-N 2.86Å; R214-I217 PolarHBondContact O-N 2.94Å; R214-Q218 VanDerWaalsContact O-CB 3.24Å; R214-Q218 WeakPolarHBondContact O-CB 3.45Å; R214-Q218 PolarHBondContact O-N 3.39Å; R214-I224 HydrophobicContact CB-CD1 3.89Å; R214-I224 HydrophobicContact CG-CD1 4.07Å; R214-E226 IonicContact CZ-OE1 3.64Å; R214-E226 IonicContact CZ-OE2 2.94Å; R214-E226 IonicContact NH1-OE1 3.18Å; R214-E226 PolarHBondContact NH1-OE1 3.12Å; R214-E226 IonicContact NH2-OE1 3.57Å; R214-E226 PolarHBondContact NH2-OE1 2.87Å; R214-E226 IonicContact NH2-OE2 3.53Å; R214-E226 PolarHBondContact NH2-OE2 3.21Å |
| 215 | Q | 87.1 | Confident | 83.7 | Confident | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.6 | -69.7 | 176.3 | -7 | 0 | 0 | 111.9 | G211 K212 L213 Q218 R219 | G211-Q215 WeakPolarHBondContact O-CG 3.42Å; G211-Q215 PolarHBondContact O-N 3.46Å; K212-Q215 WeakPolarHBondContact O-CB 3.38Å; K212-Q215 PolarHBondContact O-N 3.09Å; K212-Q215 VanDerWaalsContact O-N 3.11Å; L213-Q215 VanDerWaalsContact C-N 3.3Å; L213-Q215 PolarHBondContact O-N 2.81Å; Q215-Q218 PolarHBondContact O-N 2.88Å; Q215-R219 WeakPolarHBondContact O-CB 3.28Å; Q215-R219 WeakPolarHBondContact O-CG 3.26Å; Q215-R219 PolarHBondContact O-N 3.02Å |
| 216 | I | 87.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 177.7 | -63.2 | -64.1 | 0 | 0 | 0 | 111.3 | F184 E188 K212 L213 R214 Q218 R219 G220 | F184-I216 HydrophobicContact CB-CG1 4.19Å; F184-I216 HydrophobicContact CD2-CG1 4.44Å; E188-I216 HydrophobicContact CB-CG2 3.98Å; E188-I216 HydrophobicContact CG-CG2 4.39Å; K212-I216 PolarHBondContact O-N 2.99Å; K212-I216 VanDerWaalsContact O-N 3.1Å; L213-I216 PolarHBondContact O-N 3.47Å; R214-I216 VanDerWaalsContact C-N 3.34Å; R214-I216 PolarHBondContact O-N 2.86Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.79Å; I216-R219 PolarHBondContact O-N 2.98Å; I216-G220 PolarHBondContact O-N 2.83Å; I216-G220 VanDerWaalsContact O-N 3.16Å |
| 217 | I | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.7 | -64.1 | 163 | 0 | 0 | 0 | 110.7 | L191 C199 L201 L213 R214 G220 I222 I224 | L191-I217 HydrophobicContact CD1-CG1 3.87Å; C199-I217 HydrophobicContact CB-CG2 3.81Å; L201-I217 HydrophobicContact CD1-CD1 3.95Å; L201-I217 HydrophobicContact CD2-CD1 4.02Å; L201-I217 HydrophobicContact CG-CD1 4.4Å; L213-I217 HydrophobicContact CD1-CD1 3.97Å; L213-I217 HydrophobicContact CD1-CG1 4.45Å; L213-I217 HydrophobicContact CD2-CD1 4.45Å; L213-I217 HydrophobicContact CG-CD1 3.86Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 2.63Å; L213-I217 VanDerWaalsContact O-N 3.1Å; R214-I217 PolarHBondContact O-N 2.94Å; I217-G220 PolarHBondContact O-N 3.13Å; I217-I222 HydrophobicContact CG2-CB 3.74Å; I217-I222 HydrophobicContact CG2-CD1 4.45Å; I217-I222 HydrophobicContact CG2-CG2 3.93Å; I217-I222 PolarHBondContact O-N 3.28Å; I217-I224 HydrophobicContact CB-CD1 4.35Å; I217-I224 HydrophobicContact CB-CG1 4.38Å; I217-I224 HydrophobicContact CG2-CD1 4.27Å; I217-I224 HydrophobicContact CG2-CG1 3.76Å |
| 218 | Q | 86.3 | Confident | 87.3 | Confident | 139 Ų | 139 | 53.3 Ų | 53.3 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.2 | -38 | 179.2 | -170.7 | 177.1 | 8.1 | 0 | 0 | 112.4 | R214 Q215 I216 G220 G221 | R214-Q218 VanDerWaalsContact O-CB 3.24Å; R214-Q218 WeakPolarHBondContact O-CB 3.45Å; R214-Q218 PolarHBondContact O-N 3.39Å; Q215-Q218 PolarHBondContact O-N 2.88Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.79Å; Q218-G220 PolarHBondContact O-N 3.02Å; Q218-G221 PolarHBondContact O-N 3.32Å |
| 219 | R | 81.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -32.8 | 173.1 | -77.8 | 172.3 | 76.5 | -138.3 | 1.7 | 111.2 | E188 Q215 I216 G221 I304 E731 | E188-R219 IonicContact OE2-NH1 2.92Å; Q215-R219 WeakPolarHBondContact O-CB 3.28Å; Q215-R219 WeakPolarHBondContact O-CG 3.26Å; Q215-R219 PolarHBondContact O-N 3.02Å; I216-R219 PolarHBondContact O-N 2.98Å; R219-G221 PolarHBondContact O-N 2.99Å; R219-I304 HydrophobicContact CB-CD1 3.63Å; R219-E731 IonicContact NH2-OE1 2.83Å; R219-E731 PolarHBondContact NH2-OE1 2.65Å |
| 220 | G | 81.8 | Confident | 88.2 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I216 I217 Q218 I222 | I216-G220 PolarHBondContact O-N 2.83Å; I216-G220 VanDerWaalsContact O-N 3.16Å; I217-G220 PolarHBondContact O-N 3.13Å; Q218-G220 PolarHBondContact O-N 3.02Å; G220-I222 VanDerWaalsContact C-N 3.31Å |
| 221 | G | 81.8 | Confident | 88.6 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 50% | 0.495 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 23 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q218 R219 | Q218-G221 PolarHBondContact O-N 3.32Å; R219-G221 PolarHBondContact O-N 2.99Å |
| 222 | I | 87.9 | Confident | 88.9 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 130 | -178 | -55.5 | 161.7 | 0 | 0 | 0 | 109.1 | L191 P196 C199 I217 G220 | L191-I222 HydrophobicContact CB-CD1 4.04Å; L191-I222 HydrophobicContact CD1-CD1 4.11Å; L191-I222 HydrophobicContact CD2-CD1 4.27Å; L191-I222 HydrophobicContact CG-CD1 4.37Å; P196-I222 HydrophobicContact CG-CD1 3.9Å; P196-I222 HydrophobicContact CG-CG1 4.43Å; P196-I222 HydrophobicContact CG-CG2 4.44Å; C199-I222 HydrophobicContact CB-CG2 3.76Å; I217-I222 HydrophobicContact CG2-CB 3.74Å; I217-I222 HydrophobicContact CG2-CD1 4.45Å; I217-I222 HydrophobicContact CG2-CG2 3.93Å; I217-I222 PolarHBondContact O-N 3.28Å; G220-I222 VanDerWaalsContact C-N 3.31Å |
| 223 | L | 87.4 | Confident | 89.3 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.4 | 177.5 | 179.6 | 68.7 | 0 | 0 | 0 | 110.6 | P125 K197 E198 C199 | P125-L223 HydrophobicContact CG-CD2 4.14Å; K197-L223 PolarHBondContact O-N 2.84Å; E198-L223 CarbonylContact C-O 3.5Å; E198-L223 WeakPolarHBondContact CA-O 3.46Å; E198-L223 HydrophobicContact CG-CB 4.34Å; E198-L223 HydrophobicContact CG-CD2 4.26Å; E198-L223 HydrophobicContact CG-CG 4.44Å; C199-L223 PolarHBondContact N-O 3.35Å |
| 224 | I | 90.7 | Very high | 89.4 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 20% | 0.195 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.2 | 176.7 | -61.4 | 170 | 0 | 0 | 0 | 110.7 | L201 R214 I217 | L201-I224 HydrophobicContact CD1-CG2 3.75Å; L201-I224 HydrophobicContact CG-CG2 4.22Å; R214-I224 HydrophobicContact CB-CD1 3.89Å; R214-I224 HydrophobicContact CG-CD1 4.07Å; I217-I224 HydrophobicContact CB-CD1 4.35Å; I217-I224 HydrophobicContact CB-CG1 4.38Å; I217-I224 HydrophobicContact CG2-CD1 4.27Å; I217-I224 HydrophobicContact CG2-CG1 3.76Å |
| 225 | T | 91.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.3 | 179.6 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | R99 E198 C199 V200 L201 F276 | R99-T225 PolarHBondContact NH2-OG1 3.34Å; E198-T225 VanDerWaalsContact CG-OG1 3.31Å; E198-T225 WeakPolarHBondContact CG-OG1 3.16Å; E198-T225 PolarHBondContact OE1-OG1 2.83Å; C199-T225 PolarHBondContact O-N 3.05Å; V200-T225 WeakPolarHBondContact CA-O 3.32Å; V200-T225 HydrophobicContact CG1-CG2 4.29Å; L201-T225 PolarHBondContact N-O 3.14Å; T225-F276 HydrophobicContact CG2-CD2 4.28Å; T225-F276 HydrophobicContact CG2-CE2 3.75Å; T225-F276 HydrophobicContact CG2-CZ 4.37Å |
| 226 | E | 90.8 | Very high | 89.4 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131.4 | 174.4 | -59.4 | -52.8 | 131.1 | 0 | 0 | 111.4 | G203 R214 | G203-E226 WeakPolarHBondContact CA-OE2 3.3Å; R214-E226 IonicContact CZ-OE1 3.64Å; R214-E226 IonicContact CZ-OE2 2.94Å; R214-E226 IonicContact NH1-OE1 3.18Å; R214-E226 PolarHBondContact NH1-OE1 3.12Å; R214-E226 IonicContact NH2-OE1 3.57Å; R214-E226 PolarHBondContact NH2-OE1 2.87Å; R214-E226 IonicContact NH2-OE2 3.53Å; R214-E226 PolarHBondContact NH2-OE2 3.21Å |
| 227 | R | 92.2 | Very high | 89.6 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 158.2 | 174.9 | -71.5 | -57.8 | -54.7 | -154.4 | -5 | 111.4 | V200 L201 G203 D231 F232 | V200-R227 HydrophobicContact CB-CG 3.93Å; V200-R227 HydrophobicContact CG1-CG 4.1Å; L201-R227 PolarHBondContact O-N 2.85Å; G203-R227 PolarHBondContact N-O 2.8Å; R227-D231 HydrophobicContact CB-CB 4.47Å; R227-D231 IonicContact CZ-OD2 3.39Å; R227-D231 IonicContact NE-OD2 3.93Å; R227-D231 PolarHBondContact NE-OD2 2.9Å; R227-D231 VanDerWaalsContact NH2-CG 3.26Å; R227-D231 IonicContact NH2-OD1 3.61Å; R227-D231 PolarHBondContact NH2-OD1 3.47Å; R227-D231 IonicContact NH2-OD2 2.92Å; R227-D231 PolarHBondContact NH2-OD2 3.35Å; R227-F232 HydrophobicContact CB-CE2 4.01Å |
| 228 | K | 92.3 | Very high | 89.7 | Confident | 160 Ų | 160 | 66 Ų | 66 | 70% | 0.696 | 34% | 0.341 | S | S | * | . | trans | -67.4 | 142.2 | 179.1 | -64.3 | 177.7 | -179.1 | 176.5 | 0 | 108.4 | A230 D231 | K228-A230 PolarHBondContact O-N 2.87Å; K228-D231 PolarHBondContact N-OD2 2.89Å; K228-D231 VanDerWaalsContact O-CB 3.28Å; K228-D231 WeakPolarHBondContact O-CB 3.24Å; K228-D231 PolarHBondContact O-N 3.24Å | ||
| 229 | K | 91 | Very high | 90 | Very high | 149 Ų | 149 | 64.4 Ų | 64.4 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -53.8 | -31.3 | 175.1 | -64.5 | -174 | -179.7 | -179.4 | 0 | 112.7 | G203 D231 F232 | G203-K229 WeakPolarHBondContact O-CE 3.32Å; G203-K229 VanDerWaalsContact O-CG 3.28Å; G203-K229 WeakPolarHBondContact O-CG 3.5Å; K229-D231 VanDerWaalsContact C-N 3.25Å; K229-D231 PolarHBondContact O-N 3.02Å; K229-F232 PolarHBondContact O-N 3.17Å |
| 230 | A | 93 | Very high | 90.6 | Very high | 67 Ų | 67 | 62 Ų | 62 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -63.2 | -27.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K228 F232 S233 | K228-A230 PolarHBondContact O-N 2.87Å; A230-F232 PolarHBondContact O-N 2.96Å; A230-S233 VanDerWaalsContact O-CB 3.28Å; A230-S233 WeakPolarHBondContact O-CB 3.25Å; A230-S233 PolarHBondContact O-N 3.2Å; A230-S233 VanDerWaalsContact O-N 3.09Å; A230-S233 PolarHBondContact O-OG 2.88Å |
| 231 | D | 93.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -65.6 | -32.3 | 179.2 | -62.2 | -31.8 | 0 | 0 | 0 | 111.2 | R227 K228 K229 S233 S271 A272 K275 | R227-D231 HydrophobicContact CB-CB 4.47Å; R227-D231 IonicContact CZ-OD2 3.39Å; R227-D231 IonicContact NE-OD2 3.93Å; R227-D231 PolarHBondContact NE-OD2 2.9Å; R227-D231 VanDerWaalsContact NH2-CG 3.26Å; R227-D231 IonicContact NH2-OD1 3.61Å; R227-D231 PolarHBondContact NH2-OD1 3.47Å; R227-D231 IonicContact NH2-OD2 2.92Å; R227-D231 PolarHBondContact NH2-OD2 3.35Å; K228-D231 PolarHBondContact N-OD2 2.89Å; K228-D231 VanDerWaalsContact O-CB 3.28Å; K228-D231 WeakPolarHBondContact O-CB 3.24Å; K228-D231 PolarHBondContact O-N 3.24Å; K229-D231 VanDerWaalsContact C-N 3.25Å; K229-D231 PolarHBondContact O-N 3.02Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S271 PolarHBondContact O-OG 2.89Å; D231-A272 HydrophobicContact CB-CB 4.36Å; D231-K275 HydrophobicContact CB-CD 4.25Å; D231-K275 PolarHBondContact O-NZ 3.32Å |
| 232 | F | 93.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -77.5 | 6.2 | 176 | -69.9 | -95.5 | 0 | 0 | 0 | 113.4 | K151 P202 R227 K229 A230 S268 A272 | K151-F232 HydrophobicContact CB-CD1 4.19Å; K151-F232 HydrophobicContact CB-CE1 4.3Å; K151-F232 HydrophobicContact CD-CD1 4.18Å; P202-F232 VanDerWaalsContact CA-CE2 3.47Å; P202-F232 HydrophobicContact CB-CD2 3.84Å; P202-F232 HydrophobicContact CB-CE2 3.72Å; P202-F232 HydrophobicContact CB-CG 4.46Å; P202-F232 HydrophobicContact CB-CZ 4.25Å; P202-F232 HydrophobicContact CG-CE2 4.34Å; P202-F232 HydrophobicContact CG-CZ 4.37Å; P202-F232 VanDerWaalsContact N-CE2 3.35Å; R227-F232 HydrophobicContact CB-CE2 4.01Å; K229-F232 PolarHBondContact O-N 3.17Å; A230-F232 PolarHBondContact O-N 2.96Å; F232-S268 WeakPolarHBondContact CD1-O 3.43Å; F232-S268 WeakPolarHBondContact O-CB 3.42Å; F232-S268 PolarHBondContact O-OG 2.92Å; F232-A272 HydrophobicContact CD1-CB 3.66Å; F232-A272 HydrophobicContact CD2-CB 3.82Å; F232-A272 HydrophobicContact CE1-CB 3.56Å; F232-A272 HydrophobicContact CE2-CB 3.71Å; F232-A272 HydrophobicContact CG-CB 3.79Å; F232-A272 HydrophobicContact CZ-CB 3.58Å |
| 233 | S | 93.8 | Very high | 92 | Very high | 38 Ų | 38 | 66 Ų | 66 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | trans | -74.2 | 144.4 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | A230 D231 K235 S271 K275 | A230-S233 VanDerWaalsContact O-CB 3.28Å; A230-S233 WeakPolarHBondContact O-CB 3.25Å; A230-S233 PolarHBondContact O-N 3.2Å; A230-S233 VanDerWaalsContact O-N 3.09Å; A230-S233 PolarHBondContact O-OG 2.88Å; D231-S233 PolarHBondContact O-N 3.27Å; S233-K235 VanDerWaalsContact C-N 3.32Å; S233-S271 PolarHBondContact O-OG 3.33Å; S233-K275 PolarHBondContact O-NZ 3.32Å | ||
| 234 | T | 91.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -94.4 | 19.7 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | I237 V267 | T234-I237 HydrophobicContact CG2-CG2 4.46Å; T234-I237 WeakPolarHBondContact O-CG2 3.45Å; T234-V267 HydrophobicContact CG2-CG1 3.93Å | ||
| 235 | K | 87.4 | Confident | 92.4 | Very high | 175 Ų | 175 | 62.4 Ų | 62.4 | 76% | 0.761 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -64.7 | -51 | -176.3 | -70.9 | -172.9 | 176.7 | -174.3 | 0 | 112.2 | S233 | S233-K235 VanDerWaalsContact C-N 3.32Š|
| 236 | D | 90.4 | Very high | 92.3 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -98.5 | -8.2 | -172.5 | -48 | -46.6 | 0 | 0 | 0 | 112.4 | Y238 Q239 D240 | D236-Y238 VanDerWaalsContact C-N 3.29Å; D236-Y238 PolarHBondContact O-N 3.04Å; D236-Y238 VanDerWaalsContact O-N 3.14Å; D236-Q239 WeakPolarHBondContact O-CA 3.29Å; D236-Q239 WeakPolarHBondContact O-CB 3.14Å; D236-Q239 PolarHBondContact O-N 3.03Å; D236-D240 PolarHBondContact O-N 3.38Å |
| 237 | I | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -38.2 | -170.7 | -169.1 | 55.6 | 0 | 0 | 0 | 113.3 | T234 D240 L241 M261 V267 I274 | T234-I237 HydrophobicContact CG2-CG2 4.46Å; T234-I237 WeakPolarHBondContact O-CG2 3.45Å; I237-D240 PolarHBondContact O-N 2.91Å; I237-L241 HydrophobicContact CD1-CD1 4.35Å; I237-L241 HydrophobicContact CD1-CD2 4.44Å; I237-L241 HydrophobicContact CD1-CG 4.03Å; I237-L241 HydrophobicContact CG1-CD1 4.01Å; I237-L241 HydrophobicContact CG1-CG 4.16Å; I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 WeakPolarHBondContact O-CG 3.1Å; I237-L241 PolarHBondContact O-N 2.89Å; I237-M261 HydrophobicContact CG2-CE 4.4Å; I237-V267 HydrophobicContact CB-CG1 4.48Å; I237-V267 HydrophobicContact CG1-CG1 3.89Å; I237-V267 HydrophobicContact CG2-CG1 3.9Å; I237-I274 HydrophobicContact CD1-CD1 3.62Å |
| 238 | Y | 92.8 | Very high | 91 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.9 | -60.2 | -79.6 | 0 | 0 | 0 | 111.6 | D236 N242 S255 A256 M261 | D236-Y238 VanDerWaalsContact C-N 3.29Å; D236-Y238 PolarHBondContact O-N 3.04Å; D236-Y238 VanDerWaalsContact O-N 3.14Å; Y238-N242 PolarHBondContact O-N 3.34Å; Y238-N242 VanDerWaalsContact O-N 3.12Å; Y238-N242 PolarHBondContact O-ND2 3.42Å; Y238-N242 PolarHBondContact O-OD1 3.21Å; Y238-N242 VanDerWaalsContact O-OD1 3.1Å; Y238-S255 VanDerWaalsContact CA-OG 3.27Å; Y238-S255 WeakPolarHBondContact CA-OG 3.32Å; Y238-S255 PolarHBondContact O-OG 3.32Å; Y238-A256 HydrophobicContact CD1-CB 3.97Å; Y238-A256 HydrophobicContact CE1-CB 4.37Å; Y238-M261 HydrophobicContact CD1-CE 3.9Å; Y238-M261 HydrophobicContact CE1-CB 4.37Å; Y238-M261 HydrophobicContact CE1-CE 3.57Å; Y238-M261 HydrophobicContact CE1-CG 4.34Å |
| 239 | Q | 92.7 | Very high | 90.1 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 175.9 | -175.2 | 175.9 | 7.5 | 0 | 0 | 110.9 | D236 N242 R243 | D236-Q239 WeakPolarHBondContact O-CA 3.29Å; D236-Q239 WeakPolarHBondContact O-CB 3.14Å; D236-Q239 PolarHBondContact O-N 3.03Å; Q239-N242 PolarHBondContact O-N 3.31Å; Q239-R243 PolarHBondContact O-N 3.49Å |
| 240 | D | 94.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 179 | -61.4 | -15.3 | 0 | 0 | 0 | 110.8 | D236 I237 N242 R243 L244 L280 | D236-D240 PolarHBondContact O-N 3.38Å; I237-D240 PolarHBondContact O-N 2.91Å; D240-N242 VanDerWaalsContact C-N 3.34Å; D240-N242 PolarHBondContact O-N 3.32Å; D240-R243 PolarHBondContact O-N 2.9Å; D240-R243 VanDerWaalsContact O-N 3.1Å; D240-L244 WeakPolarHBondContact O-CG 3.41Å; D240-L244 PolarHBondContact O-N 2.75Å; D240-L280 HydrophobicContact CB-CD1 3.92Å; D240-L280 HydrophobicContact CB-CD2 4.33Å; D240-L280 WeakPolarHBondContact OD1-CD1 3.28Å |
| 241 | L | 94 | Very high | 88.4 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 177.3 | -72.6 | 176.9 | 0 | 0 | 0 | 112.2 | L173 I237 R243 L244 L245 M261 I274 | L173-L241 HydrophobicContact CD1-CD2 3.5Å; L173-L241 VanDerWaalsContact CD1-CD2 3.5Å; I237-L241 HydrophobicContact CD1-CD1 4.35Å; I237-L241 HydrophobicContact CD1-CD2 4.44Å; I237-L241 HydrophobicContact CD1-CG 4.03Å; I237-L241 HydrophobicContact CG1-CD1 4.01Å; I237-L241 HydrophobicContact CG1-CG 4.16Å; I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 WeakPolarHBondContact O-CG 3.1Å; I237-L241 PolarHBondContact O-N 2.89Å; L241-R243 PolarHBondContact O-N 3.06Å; L241-L244 PolarHBondContact O-N 3.06Å; L241-L245 HydrophobicContact CB-CD1 4.01Å; L241-L245 HydrophobicContact CB-CG 4.35Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 HydrophobicContact CD2-CG 4.36Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.35Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.21Å; L241-L245 PolarHBondContact O-N 3.17Å; L241-M261 HydrophobicContact CD1-CE 3.56Å; L241-M261 HydrophobicContact CD1-SD 3.61Å; L241-I274 HydrophobicContact CD2-CD1 4.35Å |
| 242 | N | 93.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 32% | 0.321 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -28.5 | 176.5 | -67.5 | -6.1 | 0 | 0 | 0 | 112.6 | Y238 Q239 D240 S255 | Y238-N242 PolarHBondContact O-N 3.34Å; Y238-N242 VanDerWaalsContact O-N 3.12Å; Y238-N242 PolarHBondContact O-ND2 3.42Å; Y238-N242 PolarHBondContact O-OD1 3.21Å; Y238-N242 VanDerWaalsContact O-OD1 3.1Å; Q239-N242 PolarHBondContact O-N 3.31Å; D240-N242 VanDerWaalsContact C-N 3.34Å; D240-N242 PolarHBondContact O-N 3.32Å; N242-S255 VanDerWaalsContact OD1-CB 3.29Å; N242-S255 WeakPolarHBondContact OD1-CB 3.45Å; N242-S255 PolarHBondContact OD1-N 3.33Å; N242-S255 PolarHBondContact OD1-OG 3.04Å |
| 243 | R | 93.6 | Very high | 87.3 | Confident | 123 Ų | 123 | 79.1 Ų | 79.1 | 46% | 0.464 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -83.7 | -38.3 | 175.5 | -66.5 | 178.6 | 176.3 | 171.6 | -1.1 | 112.3 | Q239 D240 L241 L280 F286 G287 | Q239-R243 PolarHBondContact O-N 3.49Å; D240-R243 PolarHBondContact O-N 2.9Å; D240-R243 VanDerWaalsContact O-N 3.1Å; L241-R243 PolarHBondContact O-N 3.06Å; R243-L280 HydrophobicContact CB-CD2 4.31Å; R243-F286 HydrophobicContact CB-CD1 3.78Å; R243-F286 HydrophobicContact CB-CE1 3.96Å; R243-F286 CarbonylContact O-C 3.56Å; R243-F286 WeakPolarHBondContact O-CA 3.28Å; R243-F286 WeakPolarHBondContact O-CB 3.38Å; R243-G287 PolarHBondContact O-N 2.9Å |
| 244 | L | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -81.2 | -34.8 | -174.4 | -67.3 | 171.5 | 0 | 0 | 0 | 113.4 | L173 D240 L241 I274 L279 L280 N285 G287 Q288 F289 | L173-L244 HydrophobicContact CD1-CB 4.45Å; D240-L244 WeakPolarHBondContact O-CG 3.41Å; D240-L244 PolarHBondContact O-N 2.75Å; L241-L244 PolarHBondContact O-N 3.06Å; L244-I274 HydrophobicContact CD1-CD1 4.1Å; L244-I274 HydrophobicContact CD1-CG1 4.39Å; L244-I274 HydrophobicContact CD1-CG2 3.89Å; L244-L279 HydrophobicContact CD1-CB 4.43Å; L244-L279 HydrophobicContact CD1-CD1 4.32Å; L244-L279 HydrophobicContact CD2-CB 4Å; L244-L280 HydrophobicContact CD1-CD2 4.26Å; L244-L280 HydrophobicContact CD2-CD2 4.04Å; L244-L280 HydrophobicContact CG-CD2 3.93Å; L244-N285 HydrophobicContact CD2-CB 3.93Å; L244-G287 PolarHBondContact O-N 2.96Å; L244-Q288 PolarHBondContact O-N 2.85Å; L244-F289 HydrophobicContact CB-CD2 4.39Å; L244-F289 PolarHBondContact O-N 2.77Å |
| 245 | L | 93.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 78.2 Ų | 78.2 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 137.5 | -173.1 | -65.1 | 175.9 | 0 | 0 | 0 | 112.4 | L173 L241 G247 M253 L258 F289 L291 | L173-L245 HydrophobicContact CD1-CD2 3.96Å; L241-L245 HydrophobicContact CB-CD1 4.01Å; L241-L245 HydrophobicContact CB-CG 4.35Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 HydrophobicContact CD2-CG 4.36Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.35Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.21Å; L241-L245 PolarHBondContact O-N 3.17Å; L245-G247 PolarHBondContact O-N 2.96Å; L245-M253 HydrophobicContact CB-CE 3.65Å; L245-M253 HydrophobicContact CB-CG 3.94Å; L245-M253 HydrophobicContact CB-SD 4.08Å; L245-M253 HydrophobicContact CD1-CE 4.44Å; L245-M253 HydrophobicContact CD1-CG 4.35Å; L245-M253 HydrophobicContact CD1-SD 4.01Å; L245-L258 HydrophobicContact CD1-CD1 3.9Å; L245-F289 CarbonylContact C-O 3.57Å; L245-F289 VanDerWaalsContact CA-O 3.27Å; L245-F289 WeakPolarHBondContact CA-O 3.44Å; L245-F289 HydrophobicContact CD2-CB 4.24Å; L245-F289 WeakPolarHBondContact CD2-O 3.28Å; L245-L291 HydrophobicContact CD1-CB 4.32Å; L245-L291 HydrophobicContact CD2-CB 3.87Å |
| 246 | K | 88.1 | Confident | 86.9 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 128.9 | 172.5 | -175.7 | 179.9 | 174.4 | -173.8 | 0 | 110.1 | K248 M253 G287 F289 E590 | K246-K248 PolarHBondContact O-N 3.39Å; K246-M253 WeakPolarHBondContact O-CE 3.4Å; K246-G287 VanDerWaalsContact CA-O 3.27Å; K246-G287 WeakPolarHBondContact CA-O 3.48Å; K246-G287 WeakPolarHBondContact CB-O 3.46Å; K246-F289 PolarHBondContact N-O 3.45Å; K246-E590 IonicContact NZ-OE1 2.75Å; K246-E590 PolarHBondContact NZ-OE1 3.04Å |
| 247 | G | 79.4 | Confident | 86.9 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -57 | 125.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L245 | L245-G247 PolarHBondContact O-N 2.96Š|
| 248 | K | 75.8 | Confident | 86.7 | Confident | 115 Ų | 115 | 76.5 Ų | 76.5 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -90.4 | 137.1 | 175.5 | -65.9 | -172 | 172.8 | -170.7 | 0 | 108.6 | K246 G250 E251 E290 | K246-K248 PolarHBondContact O-N 3.39Å; K248-G250 PolarHBondContact O-N 2.95Å; K248-E251 PolarHBondContact O-N 2.91Å; K248-E290 IonicContact NZ-OE1 2.65Å; K248-E290 PolarHBondContact NZ-OE1 3.48Å |
| 249 | K | 72.8 | Confident | 86.6 | Confident | 204 Ų | 204 | 76.3 Ų | 76.3 | 89% | 0.887 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23 | 175.8 | -56 | 178.8 | 177.8 | 177.4 | 0 | 116.2 | E251 | K249-E251 VanDerWaalsContact C-N 3.25Å; K249-E251 PolarHBondContact O-N 2.99Å |
| 250 | G | 70.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 73.5 Ų | 73.5 | 87% | 0.866 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 10.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K248 | K248-G250 PolarHBondContact O-N 2.95Š|
| 251 | E | 78.8 | Confident | 86.5 | Confident | 147 Ų | 147 | 73.6 Ų | 73.6 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -90.5 | 156.7 | 174.6 | -68.2 | -177.7 | 167.9 | 0 | 0 | 111.7 | K248 K249 M253 | K248-E251 PolarHBondContact O-N 2.91Å; K249-E251 VanDerWaalsContact C-N 3.25Å; K249-E251 PolarHBondContact O-N 2.99Å; E251-M253 PolarHBondContact O-N 3.43Å |
| 252 | Q | 79.3 | Confident | 86.4 | Confident | 193 Ų | 193 | 80.8 Ų | 80.8 | 90% | 0.902 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 133.5 | 169.7 | -71.6 | -145.7 | -4.5 | 0 | 0 | 110.4 | N254 | Q252-N254 PolarHBondContact O-N 3.16Š|
| 253 | M | 85.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 128.2 | -177.5 | -178.6 | 60.8 | 64.5 | 0 | 0 | 111.5 | L245 K246 E251 | L245-M253 HydrophobicContact CB-CE 3.65Å; L245-M253 HydrophobicContact CB-CG 3.94Å; L245-M253 HydrophobicContact CB-SD 4.08Å; L245-M253 HydrophobicContact CD1-CE 4.44Å; L245-M253 HydrophobicContact CD1-CG 4.35Å; L245-M253 HydrophobicContact CD1-SD 4.01Å; K246-M253 WeakPolarHBondContact O-CE 3.4Å; E251-M253 PolarHBondContact O-N 3.43Å |
| 254 | N | 88.2 | Confident | 86.4 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | trans | -128.2 | 99.9 | 169 | -175.6 | 5.2 | 0 | 0 | 0 | 109.7 | Q252 A256 V257 | Q252-N254 PolarHBondContact O-N 3.16Å; N254-A256 VanDerWaalsContact C-N 3.26Å; N254-A256 PolarHBondContact O-N 2.87Å; N254-A256 WeakPolarHBondContact OD1-CB 3.42Å; N254-A256 PolarHBondContact OD1-N 2.88Å; N254-V257 HydrophobicContact CB-CG2 4.2Å; N254-V257 WeakPolarHBondContact O-CG2 3.47Å | ||
| 255 | S | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -67.8 | -24.6 | -179.8 | 59 | 0 | 0 | 0 | 0 | 113.1 | Y238 N242 V257 L258 M261 | Y238-S255 VanDerWaalsContact CA-OG 3.27Å; Y238-S255 WeakPolarHBondContact CA-OG 3.32Å; Y238-S255 PolarHBondContact O-OG 3.32Å; N242-S255 VanDerWaalsContact OD1-CB 3.29Å; N242-S255 WeakPolarHBondContact OD1-CB 3.45Å; N242-S255 PolarHBondContact OD1-N 3.33Å; N242-S255 PolarHBondContact OD1-OG 3.04Å; S255-V257 PolarHBondContact O-N 2.92Å; S255-L258 WeakPolarHBondContact O-CB 3.46Å; S255-L258 PolarHBondContact O-N 2.97Å; S255-L258 VanDerWaalsContact O-N 3.09Å; S255-M261 WeakPolarHBondContact O-CG 3.11Å |
| 256 | A | 87.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 50% | 0.504 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -66.8 | -19.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y238 N254 | Y238-A256 HydrophobicContact CD1-CB 3.97Å; Y238-A256 HydrophobicContact CE1-CB 4.37Å; N254-A256 VanDerWaalsContact C-N 3.26Å; N254-A256 PolarHBondContact O-N 2.87Å; N254-A256 WeakPolarHBondContact OD1-CB 3.42Å; N254-A256 PolarHBondContact OD1-N 2.88Å |
| 257 | V | 89.3 | Confident | 86.9 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 66% | 0.661 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -94 | -3.8 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | N254 S255 | N254-V257 HydrophobicContact CB-CG2 4.2Å; N254-V257 WeakPolarHBondContact O-CG2 3.47Å; S255-V257 PolarHBondContact O-N 2.92Å |
| 258 | L | 89.2 | Confident | 87.7 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -73.5 | 129.3 | -177.8 | -66.6 | 178.5 | 0 | 0 | 0 | 110.3 | L245 S255 E260 M261 L291 | L245-L258 HydrophobicContact CD1-CD1 3.9Å; S255-L258 WeakPolarHBondContact O-CB 3.46Å; S255-L258 PolarHBondContact O-N 2.97Å; S255-L258 VanDerWaalsContact O-N 3.09Å; L258-E260 WeakPolarHBondContact CB-OE2 3.4Å; L258-E260 PolarHBondContact O-N 2.82Å; L258-M261 HydrophobicContact CB-CG 4.01Å; L258-M261 WeakPolarHBondContact O-CB 3.36Å; L258-M261 WeakPolarHBondContact O-CG 3.4Å; L258-M261 PolarHBondContact O-N 3.36Å; L258-M261 VanDerWaalsContact O-N 3.16Å; L258-L291 HydrophobicContact CD1-CD2 3.83Å | ||
| 259 | P | 91.3 | Very high | 88.7 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -61.3 | -31.6 | -179.1 | 25.1 | -33.8 | 0 | 0 | 0 | 112 | M261 E262 | P259-M261 PolarHBondContact O-N 2.65Å; P259-E262 WeakPolarHBondContact O-CB 3.34Å; P259-E262 WeakPolarHBondContact O-CG 3.45Å; P259-E262 PolarHBondContact O-N 2.86Å |
| 260 | E | 92.2 | Very high | 89.8 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -59.8 | -21.1 | 179.7 | -60.1 | 85.9 | 169.2 | 0 | 0 | 113.1 | L175 L258 E262 N263 L291 T293 | L175-E260 HydrophobicContact CD1-CB 4.14Å; L258-E260 WeakPolarHBondContact CB-OE2 3.4Å; L258-E260 PolarHBondContact O-N 2.82Å; E260-E262 PolarHBondContact O-N 3.01Å; E260-N263 PolarHBondContact O-N 3Å; E260-N263 PolarHBondContact O-ND2 3.2Å; E260-L291 HydrophobicContact CB-CD2 3.93Å; E260-L291 HydrophobicContact CB-CG 4.46Å; E260-T293 VanDerWaalsContact CG-OG1 3.28Å; E260-T293 WeakPolarHBondContact CG-OG1 3.46Å |
| 261 | M | 91.5 | Very high | 91.1 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -72.9 | -8.3 | 178.1 | -57.6 | -54.8 | -68.3 | 0 | 0 | 113.8 | I237 Y238 L241 S255 L258 P259 N263 V267 L291 | I237-M261 HydrophobicContact CG2-CE 4.4Å; Y238-M261 HydrophobicContact CD1-CE 3.9Å; Y238-M261 HydrophobicContact CE1-CB 4.37Å; Y238-M261 HydrophobicContact CE1-CE 3.57Å; Y238-M261 HydrophobicContact CE1-CG 4.34Å; L241-M261 HydrophobicContact CD1-CE 3.56Å; L241-M261 HydrophobicContact CD1-SD 3.61Å; S255-M261 WeakPolarHBondContact O-CG 3.11Å; L258-M261 HydrophobicContact CB-CG 4.01Å; L258-M261 WeakPolarHBondContact O-CB 3.36Å; L258-M261 WeakPolarHBondContact O-CG 3.4Å; L258-M261 PolarHBondContact O-N 3.36Å; L258-M261 VanDerWaalsContact O-N 3.16Å; P259-M261 PolarHBondContact O-N 2.65Å; M261-N263 PolarHBondContact O-N 3.22Å; M261-V267 HydrophobicContact CE-CB 4.47Å; M261-V267 HydrophobicContact CE-CG1 3.64Å; M261-V267 HydrophobicContact CE-CG2 3.87Å; M261-V267 HydrophobicContact SD-CG2 4.08Å; M261-L291 HydrophobicContact SD-CD2 4.11Å |
| 262 | E | 92.2 | Very high | 91.9 | Very high | 152 Ų | 152 | 48.6 Ų | 48.6 | 71% | 0.71 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.4 | 172 | 75 | -172.7 | 167.4 | 0 | 0 | 112.5 | P259 E260 Q264 | P259-E262 WeakPolarHBondContact O-CB 3.34Å; P259-E262 WeakPolarHBondContact O-CG 3.45Å; P259-E262 PolarHBondContact O-N 2.86Å; E260-E262 PolarHBondContact O-N 3.01Å; E262-Q264 VanDerWaalsContact C-N 3.27Å; E262-Q264 PolarHBondContact O-N 3.36Å |
| 263 | N | 93.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | trans | -76.6 | 70.6 | 179.5 | -60.6 | -63.6 | 0 | 0 | 0 | 111.8 | E177 E260 M261 V265 A266 V267 | E177-N263 HydrophobicContact CB-CB 4.06Å; E177-N263 WeakPolarHBondContact OE2-CA 3.4Å; E177-N263 WeakPolarHBondContact OE2-CB 3.36Å; E260-N263 PolarHBondContact O-N 3Å; E260-N263 PolarHBondContact O-ND2 3.2Å; M261-N263 PolarHBondContact O-N 3.22Å; N263-V265 PolarHBondContact O-N 2.72Å; N263-V265 VanDerWaalsContact O-N 3.17Å; N263-A266 HydrophobicContact CB-CB 3.95Å; N263-A266 PolarHBondContact O-N 3.47Å; N263-V267 WeakPolarHBondContact O-CB 3.49Å; N263-V267 VanDerWaalsContact O-CG2 3.22Å; N263-V267 WeakPolarHBondContact O-CG2 3.07Å; N263-V267 PolarHBondContact O-N 3.01Å | ||
| 264 | Q | 92.6 | Very high | 93.1 | Very high | 152 Ų | 152 | 37.7 Ų | 37.7 | 71% | 0.71 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -57.4 | -34.1 | -172.1 | -63.1 | -171.3 | 3.6 | 0 | 0 | 113.5 | E177 E262 S268 | E177-Q264 PolarHBondContact OE2-N 3.4Å; E262-Q264 VanDerWaalsContact C-N 3.27Å; E262-Q264 PolarHBondContact O-N 3.36Å; Q264-S268 WeakPolarHBondContact O-CB 3.45Å; Q264-S268 PolarHBondContact O-N 3.31Å |
| 265 | V | 94.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.4 | -42.7 | -178.5 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | K151 S153 E177 N263 S268 S269 | K151-V265 HydrophobicContact CB-CG1 4.22Å; K151-V265 HydrophobicContact CD-CG1 4.44Å; K151-V265 HydrophobicContact CG-CG1 4.3Å; S153-V265 WeakPolarHBondContact OG-CG2 3.46Å; E177-V265 HydrophobicContact CG-CB 4.37Å; E177-V265 WeakPolarHBondContact OE1-CG2 3.45Å; E177-V265 WeakPolarHBondContact OE2-CB 3.27Å; E177-V265 PolarHBondContact OE2-N 3.14Å; N263-V265 PolarHBondContact O-N 2.72Å; N263-V265 VanDerWaalsContact O-N 3.17Å; V265-S268 WeakPolarHBondContact O-CB 3.27Å; V265-S268 PolarHBondContact O-N 3.13Å; V265-S269 PolarHBondContact O-N 2.89Å; V265-S269 PolarHBondContact O-OG 2.89Å |
| 266 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L175 C176 E177 N263 S268 S269 L270 | L175-A266 HydrophobicContact CB-CB 4.26Å; L175-A266 HydrophobicContact CD2-CB 3.87Å; C176-A266 WeakPolarHBondContact O-CB 3.48Å; E177-A266 HydrophobicContact CB-CB 4.13Å; E177-A266 PolarHBondContact OE2-N 2.95Å; E177-A266 VanDerWaalsContact OE2-N 3.14Å; N263-A266 HydrophobicContact CB-CB 3.95Å; N263-A266 PolarHBondContact O-N 3.47Å; A266-S268 VanDerWaalsContact C-N 3.26Å; A266-S268 PolarHBondContact O-N 3.3Å; A266-S269 WeakPolarHBondContact O-CB 3.4Å; A266-S269 PolarHBondContact O-N 3.42Å; A266-S269 VanDerWaalsContact O-N 3.09Å; A266-L270 PolarHBondContact O-N 3.2Å |
| 267 | V | 96.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | L175 T234 I237 M261 N263 S269 L270 S271 | L175-V267 HydrophobicContact CD1-CG2 4.03Å; L175-V267 HydrophobicContact CD2-CG2 4.16Å; T234-V267 HydrophobicContact CG2-CG1 3.93Å; I237-V267 HydrophobicContact CB-CG1 4.48Å; I237-V267 HydrophobicContact CG1-CG1 3.89Å; I237-V267 HydrophobicContact CG2-CG1 3.9Å; M261-V267 HydrophobicContact CE-CB 4.47Å; M261-V267 HydrophobicContact CE-CG1 3.64Å; M261-V267 HydrophobicContact CE-CG2 3.87Å; M261-V267 HydrophobicContact SD-CG2 4.08Å; N263-V267 WeakPolarHBondContact O-CB 3.49Å; N263-V267 VanDerWaalsContact O-CG2 3.22Å; N263-V267 WeakPolarHBondContact O-CG2 3.07Å; N263-V267 PolarHBondContact O-N 3.01Å; V267-S269 VanDerWaalsContact C-N 3.35Å; V267-S269 PolarHBondContact O-N 3.2Å; V267-L270 PolarHBondContact O-N 2.95Å; V267-S271 WeakPolarHBondContact O-CB 3.31Å; V267-S271 PolarHBondContact O-N 3.35Å |
| 268 | S | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | K151 F232 Q264 V265 A266 A272 | K151-S268 WeakPolarHBondContact CD-OG 3.37Å; K151-S268 PolarHBondContact NZ-OG 3.37Å; F232-S268 WeakPolarHBondContact CD1-O 3.43Å; F232-S268 WeakPolarHBondContact O-CB 3.42Å; F232-S268 PolarHBondContact O-OG 2.92Å; Q264-S268 WeakPolarHBondContact O-CB 3.45Å; Q264-S268 PolarHBondContact O-N 3.31Å; V265-S268 WeakPolarHBondContact O-CB 3.27Å; V265-S268 PolarHBondContact O-N 3.13Å; A266-S268 VanDerWaalsContact C-N 3.26Å; A266-S268 PolarHBondContact O-N 3.3Å; S268-A272 PolarHBondContact O-N 3.33Å |
| 269 | S | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 174 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | G149 K151 G162 V265 A266 V267 S271 A272 V273 | G149-S269 WeakPolarHBondContact O-CB 3.38Å; K151-S269 VanDerWaalsContact CB-OG 3.26Å; K151-S269 WeakPolarHBondContact CB-OG 3.44Å; K151-S269 PolarHBondContact N-OG 3.33Å; G162-S269 PolarHBondContact O-OG 3.34Å; V265-S269 PolarHBondContact O-N 2.89Å; V265-S269 PolarHBondContact O-OG 2.89Å; A266-S269 WeakPolarHBondContact O-CB 3.4Å; A266-S269 PolarHBondContact O-N 3.42Å; A266-S269 VanDerWaalsContact O-N 3.09Å; V267-S269 VanDerWaalsContact C-N 3.35Å; V267-S269 PolarHBondContact O-N 3.2Å; S269-S271 VanDerWaalsContact C-N 3.33Å; S269-S271 PolarHBondContact O-N 3.32Å; S269-A272 WeakPolarHBondContact O-CB 3.37Å; S269-A272 PolarHBondContact O-N 3.44Å; S269-A272 VanDerWaalsContact O-N 3.17Å; S269-V273 PolarHBondContact O-N 3.4Å; S269-V273 VanDerWaalsContact O-N 3.14Å |
| 270 | L | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 177.6 | -179.4 | 63 | 0 | 0 | 0 | 111.6 | Y165 V166 L173 L175 A266 V267 A272 V273 I274 L291 | Y165-L270 WeakPolarHBondContact O-CD1 3.42Å; V166-L270 HydrophobicContact CG2-CD1 4.01Å; L173-L270 HydrophobicContact CB-CD1 4.35Å; L173-L270 HydrophobicContact CB-CD2 4.14Å; L173-L270 HydrophobicContact CD2-CD1 4.34Å; L175-L270 HydrophobicContact CD2-CB 3.71Å; L175-L270 HydrophobicContact CD2-CD2 3.63Å; L175-L270 HydrophobicContact CD2-CG 4.28Å; L175-L270 HydrophobicContact CG-CD2 4.06Å; A266-L270 PolarHBondContact O-N 3.2Å; V267-L270 PolarHBondContact O-N 2.95Å; L270-A272 VanDerWaalsContact C-N 3.29Å; L270-A272 PolarHBondContact O-N 3.33Å; L270-V273 PolarHBondContact O-N 3.49Å; L270-V273 VanDerWaalsContact O-N 3.08Å; L270-I274 HydrophobicContact CD1-CD1 4.35Å; L270-I274 HydrophobicContact CD1-CG1 4.35Å; L270-I274 HydrophobicContact CD2-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 3.92Å; L270-I274 HydrophobicContact CG-CG1 4.37Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 2.95Å; L270-L291 HydrophobicContact CD2-CD1 4.06Å |
| 271 | S | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.8 | -43.6 | 174.1 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | D231 S233 V267 S269 V273 I274 K275 | D231-S271 PolarHBondContact O-OG 2.89Å; S233-S271 PolarHBondContact O-OG 3.33Å; V267-S271 WeakPolarHBondContact O-CB 3.31Å; V267-S271 PolarHBondContact O-N 3.35Å; S269-S271 VanDerWaalsContact C-N 3.33Å; S269-S271 PolarHBondContact O-N 3.32Å; S271-V273 PolarHBondContact O-N 3.31Å; S271-I274 PolarHBondContact O-N 2.96Å; S271-K275 WeakPolarHBondContact O-CG 3.41Å; S271-K275 PolarHBondContact O-N 2.92Å; S271-K275 VanDerWaalsContact O-N 3.11Å; S271-K275 PolarHBondContact OG-NZ 3.48Å; S271-K275 VanDerWaalsContact OG-NZ 3.1Å |
| 272 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V200 D231 F232 S268 S269 L270 F276 | V200-A272 HydrophobicContact CG2-CB 4.33Å; D231-A272 HydrophobicContact CB-CB 4.36Å; F232-A272 HydrophobicContact CD1-CB 3.66Å; F232-A272 HydrophobicContact CD2-CB 3.82Å; F232-A272 HydrophobicContact CE1-CB 3.56Å; F232-A272 HydrophobicContact CE2-CB 3.71Å; F232-A272 HydrophobicContact CG-CB 3.79Å; F232-A272 HydrophobicContact CZ-CB 3.58Å; S268-A272 PolarHBondContact O-N 3.33Å; S269-A272 WeakPolarHBondContact O-CB 3.37Å; S269-A272 PolarHBondContact O-N 3.44Å; S269-A272 VanDerWaalsContact O-N 3.17Å; L270-A272 VanDerWaalsContact C-N 3.29Å; L270-A272 PolarHBondContact O-N 3.33Å; A272-F276 VanDerWaalsContact O-CB 3.3Å; A272-F276 WeakPolarHBondContact O-CB 3.45Å; A272-F276 PolarHBondContact O-N 3.26Å |
| 273 | V | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | V147 V166 V200 S269 L270 S271 K275 F276 L277 | V147-V273 HydrophobicContact CB-CG1 4.05Å; V147-V273 HydrophobicContact CG1-CG1 4.01Å; V147-V273 HydrophobicContact CG1-CG2 4.47Å; V166-V273 HydrophobicContact CB-CG1 4.19Å; V166-V273 HydrophobicContact CG2-CB 4.38Å; V166-V273 HydrophobicContact CG2-CG1 3.59Å; V200-V273 HydrophobicContact CG2-CG2 3.8Å; S269-V273 PolarHBondContact O-N 3.4Å; S269-V273 VanDerWaalsContact O-N 3.14Å; L270-V273 PolarHBondContact O-N 3.49Å; L270-V273 VanDerWaalsContact O-N 3.08Å; S271-V273 PolarHBondContact O-N 3.31Å; V273-K275 VanDerWaalsContact C-N 3.3Å; V273-K275 PolarHBondContact O-N 2.95Å; V273-F276 PolarHBondContact O-N 2.74Å; V273-F276 VanDerWaalsContact O-N 3.11Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 4.19Å; V273-L277 WeakPolarHBondContact O-CB 3.47Å; V273-L277 PolarHBondContact O-N 3.46Å |
| 274 | I | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 177.7 | -69.2 | 169.3 | 0 | 0 | 0 | 110.6 | I237 L241 L244 L270 S271 E278 L279 | I237-I274 HydrophobicContact CD1-CD1 3.62Å; L241-I274 HydrophobicContact CD2-CD1 4.35Å; L244-I274 HydrophobicContact CD1-CD1 4.1Å; L244-I274 HydrophobicContact CD1-CG1 4.39Å; L244-I274 HydrophobicContact CD1-CG2 3.89Å; L270-I274 HydrophobicContact CD1-CD1 4.35Å; L270-I274 HydrophobicContact CD1-CG1 4.35Å; L270-I274 HydrophobicContact CD2-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 3.92Å; L270-I274 HydrophobicContact CG-CG1 4.37Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 2.95Å; S271-I274 PolarHBondContact O-N 2.96Å; I274-E278 PolarHBondContact O-N 3.48Å; I274-L279 HydrophobicContact CG1-CD1 4.14Å; I274-L279 HydrophobicContact CG2-CB 4.34Å; I274-L279 HydrophobicContact CG2-CD1 4.4Å; I274-L279 PolarHBondContact O-N 2.87Å |
| 275 | K | 93.6 | Very high | 92.4 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | 175.9 | -71.8 | 171.8 | -173.3 | 148.6 | 0 | 113 | D231 S233 S271 V273 E278 | D231-K275 HydrophobicContact CB-CD 4.25Å; D231-K275 PolarHBondContact O-NZ 3.32Å; S233-K275 PolarHBondContact O-NZ 3.32Å; S271-K275 WeakPolarHBondContact O-CG 3.41Å; S271-K275 PolarHBondContact O-N 2.92Å; S271-K275 VanDerWaalsContact O-N 3.11Å; S271-K275 PolarHBondContact OG-NZ 3.48Å; S271-K275 VanDerWaalsContact OG-NZ 3.1Å; V273-K275 VanDerWaalsContact C-N 3.3Å; V273-K275 PolarHBondContact O-N 2.95Å; K275-E278 PolarHBondContact O-N 3.12Å |
| 276 | F | 92.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 177.1 | 172.5 | -102.3 | 0 | 0 | 0 | 112.3 | V147 E198 V200 T225 A272 V273 E278 | V147-F276 HydrophobicContact CG1-CD1 3.78Å; V147-F276 HydrophobicContact CG1-CE1 3.96Å; V147-F276 HydrophobicContact CG2-CD1 4.23Å; V147-F276 HydrophobicContact CG2-CE1 3.89Å; E198-F276 WeakPolarHBondContact OE1-CZ 3.41Å; V200-F276 HydrophobicContact CG1-CB 4.08Å; V200-F276 HydrophobicContact CG1-CD1 3.94Å; V200-F276 HydrophobicContact CG1-CD2 4Å; V200-F276 HydrophobicContact CG1-CE1 4.38Å; V200-F276 HydrophobicContact CG1-CE2 4.46Å; V200-F276 HydrophobicContact CG1-CG 3.71Å; T225-F276 HydrophobicContact CG2-CD2 4.28Å; T225-F276 HydrophobicContact CG2-CE2 3.75Å; T225-F276 HydrophobicContact CG2-CZ 4.37Å; A272-F276 VanDerWaalsContact O-CB 3.3Å; A272-F276 WeakPolarHBondContact O-CB 3.45Å; A272-F276 PolarHBondContact O-N 3.26Å; V273-F276 PolarHBondContact O-N 2.74Å; V273-F276 VanDerWaalsContact O-N 3.11Å; F276-E278 PolarHBondContact O-N 2.86Å |
| 277 | L | 90.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -77.1 | -8.5 | 176.7 | -70.4 | -179.9 | 0 | 0 | 0 | 113.1 | N127 V147 V166 V273 L279 | N127-L277 HydrophobicContact CB-CD2 3.78Å; V147-L277 HydrophobicContact CB-CD2 4.4Å; V147-L277 HydrophobicContact CG2-CD2 3.73Å; V147-L277 HydrophobicContact CG2-CG 4.4Å; V166-L277 HydrophobicContact CB-CD1 3.64Å; V166-L277 HydrophobicContact CG1-CD1 3.86Å; V166-L277 HydrophobicContact CG2-CD1 3.97Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 4.19Å; V273-L277 WeakPolarHBondContact O-CB 3.47Å; V273-L277 PolarHBondContact O-N 3.46Å; L277-L279 HydrophobicContact CB-CD2 3.68Å; L277-L279 HydrophobicContact CB-CG 3.84Å; L277-L279 HydrophobicContact CD1-CD2 4.22Å; L277-L279 PolarHBondContact O-N 3.14Å |
| 278 | E | 90.6 | Very high | 91.5 | Very high | 76 Ų | 76 | 30.8 Ų | 30.8 | 36% | 0.355 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.1 | -180 | -60 | 177.7 | -171.7 | 0 | 0 | 111.7 | K122 I274 K275 F276 L280 S281 | K122-E278 IonicContact NZ-OE1 2.6Å; K122-E278 PolarHBondContact NZ-OE1 3.05Å; I274-E278 PolarHBondContact O-N 3.48Å; K275-E278 PolarHBondContact O-N 3.12Å; F276-E278 PolarHBondContact O-N 2.86Å; E278-L280 PolarHBondContact O-N 3.17Å; E278-L280 VanDerWaalsContact O-N 3.16Å; E278-S281 VanDerWaalsContact O-CB 3.28Å; E278-S281 WeakPolarHBondContact O-CB 3.47Å; E278-S281 PolarHBondContact O-N 3.41Å; E278-S281 PolarHBondContact O-OG 3.37Å |
| 279 | L | 90.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -59.6 | -33.5 | -170.3 | -63.1 | -176.4 | 0 | 0 | 0 | 113.5 | V166 L173 L244 I274 L277 S281 D282 N285 F289 | V166-L279 HydrophobicContact CG1-CD1 4.17Å; V166-L279 HydrophobicContact CG2-CD1 4.35Å; L173-L279 HydrophobicContact CD2-CD1 4.37Å; L244-L279 HydrophobicContact CD1-CB 4.43Å; L244-L279 HydrophobicContact CD1-CD1 4.32Å; L244-L279 HydrophobicContact CD2-CB 4Å; I274-L279 HydrophobicContact CG1-CD1 4.14Å; I274-L279 HydrophobicContact CG2-CB 4.34Å; I274-L279 HydrophobicContact CG2-CD1 4.4Å; I274-L279 PolarHBondContact O-N 2.87Å; L277-L279 HydrophobicContact CB-CD2 3.68Å; L277-L279 HydrophobicContact CB-CG 3.84Å; L277-L279 HydrophobicContact CD1-CD2 4.22Å; L277-L279 PolarHBondContact O-N 3.14Å; L279-S281 PolarHBondContact O-N 3.46Å; L279-D282 PolarHBondContact O-N 3.5Å; L279-N285 PolarHBondContact O-ND2 3.11Å; L279-F289 HydrophobicContact CD1-CZ 4.31Å |
| 280 | L | 91.3 | Very high | 91 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -75.8 | -11.7 | 179.4 | -61.7 | 169.1 | 0 | 0 | 0 | 113.6 | D240 R243 L244 E278 F286 | D240-L280 HydrophobicContact CB-CD1 3.92Å; D240-L280 HydrophobicContact CB-CD2 4.33Å; D240-L280 WeakPolarHBondContact OD1-CD1 3.28Å; R243-L280 HydrophobicContact CB-CD2 4.31Å; L244-L280 HydrophobicContact CD1-CD2 4.26Å; L244-L280 HydrophobicContact CD2-CD2 4.04Å; L244-L280 HydrophobicContact CG-CD2 3.93Å; E278-L280 PolarHBondContact O-N 3.17Å; E278-L280 VanDerWaalsContact O-N 3.16Å; L280-F286 HydrophobicContact CD2-CE1 3.85Å |
| 281 | S | 88.1 | Confident | 90.9 | Very high | 96 Ų | 96 | 35.2 Ų | 35.2 | 67% | 0.671 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -80.6 | -9.5 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | E278 L279 | E278-S281 VanDerWaalsContact O-CB 3.28Å; E278-S281 WeakPolarHBondContact O-CB 3.47Å; E278-S281 PolarHBondContact O-N 3.41Å; E278-S281 PolarHBondContact O-OG 3.37Å; L279-S281 PolarHBondContact O-N 3.46Å |
| 282 | D | 84.8 | Confident | 90.8 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | trans | -121.2 | 108.5 | -179.7 | -178.9 | -9.7 | 0 | 0 | 0 | 109.2 | L279 S284 N285 R396 | L279-D282 PolarHBondContact O-N 3.5Å; D282-S284 PolarHBondContact O-N 2.87Å; D282-S284 VanDerWaalsContact O-N 3.09Å; D282-S284 VanDerWaalsContact OD1-CB 3.24Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 2.81Å; D282-S284 PolarHBondContact OD1-OG 3.18Å; D282-S284 PolarHBondContact OD2-OG 3.35Å; D282-N285 WeakPolarHBondContact O-CB 3.23Å; D282-N285 PolarHBondContact O-N 3.08Å; D282-R396 IonicContact OD2-NE 3.56Å; D282-R396 IonicContact OD2-NH2 2.66Å; D282-R396 PolarHBondContact OD2-NH2 2.7Å | ||
| 283 | D | 85.9 | Confident | 90.7 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 65% | 0.652 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -59.6 | -23 | -177.5 | -59.1 | -28.7 | 0 | 0 | 0 | 112.6 | N285 F286 | D283-N285 PolarHBondContact O-N 2.94Å; D283-N285 VanDerWaalsContact O-N 3.11Å; D283-F286 HydrophobicContact CB-CD2 4.03Å; D283-F286 HydrophobicContact CB-CE2 3.99Å; D283-F286 WeakPolarHBondContact O-CD2 3.03Å; D283-F286 PolarHBondContact O-N 3.14Å; D283-F286 VanDerWaalsContact O-N 3.12Å; D283-F286 WeakPolarHBondContact OD1-CE2 3.16Å |
| 284 | S | 85.1 | Confident | 90.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -66.9 | -10.3 | 177.4 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | D282 Q288 R396 | D282-S284 PolarHBondContact O-N 2.87Å; D282-S284 VanDerWaalsContact O-N 3.09Å; D282-S284 VanDerWaalsContact OD1-CB 3.24Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 2.81Å; D282-S284 PolarHBondContact OD1-OG 3.18Å; D282-S284 PolarHBondContact OD2-OG 3.35Å; S284-Q288 VanDerWaalsContact O-CG 3.23Å; S284-Q288 WeakPolarHBondContact O-CG 3.46Å; S284-R396 WeakPolarHBondContact OG-CG 3.49Å |
| 285 | N | 89.2 | Confident | 90.7 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -89.1 | -11.4 | 175.3 | -68.7 | -39.1 | 0 | 0 | 0 | 113.7 | R171 L244 L279 D282 D283 F289 | R171-N285 PolarHBondContact NH1-OD1 3.36Å; L244-N285 HydrophobicContact CD2-CB 3.93Å; L279-N285 PolarHBondContact O-ND2 3.11Å; D282-N285 WeakPolarHBondContact O-CB 3.23Å; D282-N285 PolarHBondContact O-N 3.08Å; D283-N285 PolarHBondContact O-N 2.94Å; D283-N285 VanDerWaalsContact O-N 3.11Å; N285-F289 HydrophobicContact CB-CE2 3.94Å |
| 286 | F | 90.8 | Very high | 90.6 | Very high | 66 Ų | 66 | 43 Ų | 43 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 132.7 | -176.9 | -62.6 | -38.8 | 0 | 0 | 0 | 112.4 | R243 L280 D283 Q288 | R243-F286 HydrophobicContact CB-CD1 3.78Å; R243-F286 HydrophobicContact CB-CE1 3.96Å; R243-F286 CarbonylContact O-C 3.56Å; R243-F286 WeakPolarHBondContact O-CA 3.28Å; R243-F286 WeakPolarHBondContact O-CB 3.38Å; L280-F286 HydrophobicContact CD2-CE1 3.85Å; D283-F286 HydrophobicContact CB-CD2 4.03Å; D283-F286 HydrophobicContact CB-CE2 3.99Å; D283-F286 WeakPolarHBondContact O-CD2 3.03Å; D283-F286 PolarHBondContact O-N 3.14Å; D283-F286 VanDerWaalsContact O-N 3.12Å; D283-F286 WeakPolarHBondContact OD1-CE2 3.16Å; F286-Q288 WeakPolarHBondContact O-CG 3.49Å; F286-Q288 PolarHBondContact O-N 2.95Å; F286-Q288 PolarHBondContact O-NE2 2.84Å |
| 287 | G | 89.9 | Confident | 90.7 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 22 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R243 L244 K246 | R243-G287 PolarHBondContact O-N 2.9Å; L244-G287 PolarHBondContact O-N 2.96Å; K246-G287 VanDerWaalsContact CA-O 3.27Å; K246-G287 WeakPolarHBondContact CA-O 3.48Å; K246-G287 WeakPolarHBondContact CB-O 3.46Å |
| 288 | Q | 88.1 | Confident | 90.9 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | trans | -106.3 | -27.7 | -172.4 | -61.2 | -47.4 | -62.6 | 0 | 0 | 114.2 | R171 L244 S284 F286 Q395 | R171-Q288 WeakPolarHBondContact CB-O 3Å; L244-Q288 PolarHBondContact O-N 2.85Å; S284-Q288 VanDerWaalsContact O-CG 3.23Å; S284-Q288 WeakPolarHBondContact O-CG 3.46Å; F286-Q288 WeakPolarHBondContact O-CG 3.49Å; F286-Q288 PolarHBondContact O-N 2.95Å; F286-Q288 PolarHBondContact O-NE2 2.84Å; Q288-Q395 VanDerWaalsContact CD-CD 3.44Å; Q288-Q395 VanDerWaalsContact CD-NE2 3.29Å; Q288-Q395 HydrophobicContact CG-CG 4.31Å | ||
| 289 | F | 91.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 150.5 | -168.5 | -72.5 | -95.2 | 0 | 0 | 0 | 113 | V166 R171 L173 L244 L245 K246 L279 N285 | V166-F289 HydrophobicContact CG1-CE1 3.75Å; V166-F289 HydrophobicContact CG1-CZ 4.3Å; R171-F289 VanDerWaalsContact C-CD1 3.44Å; R171-F289 HydrophobicContact CB-CD1 4.38Å; R171-F289 CarbonylContact O-C 3.54Å; R171-F289 VanDerWaalsContact O-CA 3.23Å; R171-F289 WeakPolarHBondContact O-CA 3.47Å; L173-F289 HydrophobicContact CD1-CB 4.01Å; L173-F289 HydrophobicContact CD1-CG 4.39Å; L173-F289 HydrophobicContact CD2-CD1 3.73Å; L173-F289 HydrophobicContact CD2-CE1 4.14Å; L173-F289 HydrophobicContact CD2-CG 4.16Å; L173-F289 HydrophobicContact CG-CB 3.83Å; L173-F289 HydrophobicContact CG-CD1 3.81Å; L173-F289 HydrophobicContact CG-CG 3.98Å; L244-F289 HydrophobicContact CB-CD2 4.39Å; L244-F289 PolarHBondContact O-N 2.77Å; L245-F289 CarbonylContact C-O 3.57Å; L245-F289 VanDerWaalsContact CA-O 3.27Å; L245-F289 WeakPolarHBondContact CA-O 3.44Å; L245-F289 HydrophobicContact CD2-CB 4.24Å; L245-F289 WeakPolarHBondContact CD2-O 3.28Å; K246-F289 PolarHBondContact N-O 3.45Å; L279-F289 HydrophobicContact CD1-CZ 4.31Å; N285-F289 HydrophobicContact CB-CE2 3.94Å |
| 290 | E | 92.1 | Very high | 91.6 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.4 | 163.7 | -178.6 | 168 | -147.4 | 0 | 0 | 110.6 | R171 K172 L173 K248 T292 | R171-E290 PolarHBondContact O-N 3.19Å; K172-E290 CarbonylContact C-O 3.58Å; K172-E290 WeakPolarHBondContact CA-O 3.37Å; L173-E290 PolarHBondContact N-O 3.35Å; K248-E290 IonicContact NZ-OE1 2.65Å; K248-E290 PolarHBondContact NZ-OE1 3.48Å; E290-T292 HydrophobicContact CG-CG2 4.04Å |
| 291 | L | 94.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.9 | 172 | -167.4 | 64.9 | 0 | 0 | 0 | 109.5 | L173 L175 L245 L258 E260 M261 L270 | L173-L291 HydrophobicContact CB-CD1 3.82Å; L175-L291 HydrophobicContact CD1-CD1 3.87Å; L175-L291 HydrophobicContact CD1-CD2 4.24Å; L175-L291 HydrophobicContact CD1-CG 4.28Å; L175-L291 HydrophobicContact CG-CD1 4.14Å; L245-L291 HydrophobicContact CD1-CB 4.32Å; L245-L291 HydrophobicContact CD2-CB 3.87Å; L258-L291 HydrophobicContact CD1-CD2 3.83Å; E260-L291 HydrophobicContact CB-CD2 3.93Å; E260-L291 HydrophobicContact CB-CG 4.46Å; M261-L291 HydrophobicContact SD-CD2 4.11Å; L270-L291 HydrophobicContact CD2-CD1 4.06Å |
| 292 | T | 93 | Very high | 92.2 | Very high | 32 Ų | 32 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139.4 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 111 | K172 L173 G174 L175 E290 | K172-T292 HydrophobicContact CD-CG2 4.27Å; K172-T292 HydrophobicContact CG-CG2 4.46Å; L173-T292 PolarHBondContact O-N 2.9Å; L173-T292 PolarHBondContact O-OG1 2.94Å; G174-T292 WeakPolarHBondContact CA-O 3.34Å; L175-T292 PolarHBondContact N-O 3.06Å; E290-T292 HydrophobicContact CG-CG2 4.04Å |
| 293 | T | 95.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.4 | 169.4 | -57 | 0 | 0 | 0 | 0 | 109.1 | L175 E260 | L175-T293 CarbonylContact O-C 3.59Å; L175-T293 VanDerWaalsContact O-CA 3.31Å; L175-T293 WeakPolarHBondContact O-CA 3.41Å; E260-T293 VanDerWaalsContact CG-OG1 3.28Å; E260-T293 WeakPolarHBondContact CG-OG1 3.46Å |
| 294 | F | 94.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | trans | -86.2 | 127.8 | 177.2 | -172 | -84.2 | 0 | 0 | 0 | 110 | Y165 L175 C176 L190 Q193 F296 Y299 | Y165-F294 HydrophobicContact CE1-CB 3.93Å; Y165-F294 HydrophobicContact CE1-CD2 4.43Å; Y165-F294 HydrophobicContact CE1-CG 4.33Å; Y165-F294 WeakPolarHBondContact OH-CD2 3.42Å; L175-F294 PolarHBondContact O-N 3.16Å; C176-F294 HydrophobicContact CB-CB 4.3Å; C176-F294 PolarHBondContact SG-O 2.87Å; L190-F294 HydrophobicContact CD1-CD1 3.32Å; L190-F294 HydrophobicContact CD1-CE1 3.32Å; L190-F294 HydrophobicContact CD1-CG 4.38Å; L190-F294 HydrophobicContact CD1-CZ 4.36Å; Q193-F294 HydrophobicContact CB-CZ 4.22Å; F294-F296 HydrophobicContact CE1-CB 4.05Å; F294-Y299 HydrophobicContact CE2-CE2 4.11Å; F294-Y299 AromaticContact CZ-CD2 3.95Å; F294-Y299 HydrophobicContact CZ-CD2 3.95Å; F294-Y299 AromaticContact CZ-CE2 3.93Å; F294-Y299 HydrophobicContact CZ-CE2 3.93Å | ||
| 295 | D | 94.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | trans | -114.1 | 108.5 | 174.5 | 177.4 | 17.8 | 0 | 0 | 0 | 109.9 | S297 Q298 | D295-S297 PolarHBondContact O-N 3.35Å; D295-S297 WeakPolarHBondContact OD1-CB 3.45Å; D295-S297 PolarHBondContact OD1-N 3.37Å; D295-S297 PolarHBondContact OD1-OG 2.82Å; D295-Q298 HydrophobicContact CB-CG 4.08Å; D295-Q298 PolarHBondContact O-N 3.14Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 296 | F | 92.1 | Very high | 93 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -68.5 | -14 | 177.5 | 60 | -99.2 | 0 | 0 | 0 | 112.8 | F178 N186 L190 Q193 F294 Q298 Y299 | F178-F296 HydrophobicContact CB-CE1 3.64Å; F178-F296 HydrophobicContact CB-CZ 4Å; F178-F296 HydrophobicContact CD1-CD1 4.24Å; F178-F296 AromaticContact CD1-CE1 3.65Å; F178-F296 HydrophobicContact CD1-CE1 3.65Å; F178-F296 HydrophobicContact CD2-CE1 4.06Å; F178-F296 HydrophobicContact CD2-CZ 4.39Å; F178-F296 HydrophobicContact CE1-CE1 4.33Å; F178-F296 HydrophobicContact CG-CD1 4.47Å; F178-F296 AromaticContact CG-CE1 3.5Å; F178-F296 HydrophobicContact CG-CE1 3.5Å; F178-F296 VanDerWaalsContact CG-CE1 3.5Å; F178-F296 HydrophobicContact CG-CZ 4.11Å; N186-F296 HydrophobicContact CB-CZ 4.23Å; L190-F296 HydrophobicContact CD1-CB 4.22Å; Q193-F296 PolarHBondContact NE2-O 2.83Å; Q193-F296 VanDerWaalsContact OE1-CB 3.28Å; F294-F296 HydrophobicContact CE1-CB 4.05Å; F296-Q298 VanDerWaalsContact C-N 3.26Å; F296-Q298 PolarHBondContact O-N 2.68Å; F296-Y299 PolarHBondContact O-N 3.46Å |
| 297 | S | 93.3 | Very high | 93 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 48% | 0.476 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -74.2 | -18.1 | 178.9 | -43.8 | 0 | 0 | 0 | 0 | 112.6 | D295 Y299 | D295-S297 PolarHBondContact O-N 3.35Å; D295-S297 WeakPolarHBondContact OD1-CB 3.45Å; D295-S297 PolarHBondContact OD1-N 3.37Å; D295-S297 PolarHBondContact OD1-OG 2.82Å; S297-Y299 PolarHBondContact O-N 2.9Å |
| 298 | Q | 95.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -72.4 | -13.9 | 174.1 | -62.1 | -171.4 | 0.4 | 0 | 0 | 113 | D295 F296 M351 | D295-Q298 HydrophobicContact CB-CG 4.08Å; D295-Q298 PolarHBondContact O-N 3.14Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.46Å; F296-Q298 VanDerWaalsContact C-N 3.26Å; F296-Q298 PolarHBondContact O-N 2.68Å; Q298-M351 WeakPolarHBondContact O-CB 3.18Å; Q298-M351 WeakPolarHBondContact O-CG 3.45Å; Q298-M351 PolarHBondContact O-N 3.47Å; Q298-M351 VanDerWaalsContact O-N 3.12Å |
| 299 | Y | 97.5 | Very high | 92.9 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -126.9 | 155.7 | -174.7 | -52.9 | -68.3 | 0 | 0 | 0 | 111.7 | F294 F296 S297 K301 Q348 P349 L350 M351 | F294-Y299 HydrophobicContact CE2-CE2 4.11Å; F294-Y299 AromaticContact CZ-CD2 3.95Å; F294-Y299 HydrophobicContact CZ-CD2 3.95Å; F294-Y299 AromaticContact CZ-CE2 3.93Å; F294-Y299 HydrophobicContact CZ-CE2 3.93Å; F296-Y299 PolarHBondContact O-N 3.46Å; S297-Y299 PolarHBondContact O-N 2.9Å; Y299-K301 PolarHBondContact O-N 2.96Å; Y299-Q348 HydrophobicContact CD1-CB 3.62Å; Y299-Q348 HydrophobicContact CD1-CG 4.48Å; Y299-Q348 WeakPolarHBondContact CD1-O 3.22Å; Y299-Q348 HydrophobicContact CD2-CB 4.39Å; Y299-Q348 HydrophobicContact CD2-CG 4.42Å; Y299-Q348 HydrophobicContact CE1-CB 3.88Å; Y299-Q348 HydrophobicContact CG-CB 3.89Å; Y299-Q348 HydrophobicContact CG-CG 4.35Å; Y299-P349 CarbonylContact C-O 3.53Å; Y299-P349 WeakPolarHBondContact CA-O 3.45Å; Y299-P349 WeakPolarHBondContact CB-O 3.41Å; Y299-L350 HydrophobicContact CD1-CD2 4.45Å; Y299-L350 HydrophobicContact CE1-CD2 4.11Å; Y299-M351 VanDerWaalsContact C-CG 3.49Å |
| 300 | M | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -60.8 | 133.8 | 172.8 | -179.7 | -171.6 | -72.8 | 0 | 0 | 110.2 | Q193 L302 P349 M351 V686 L687 Q690 V705 D706 I708 | Q193-M300 PolarHBondContact NE2-O 3.37Å; M300-L302 HydrophobicContact CG-CD2 4.29Å; M300-L302 HydrophobicContact SD-CD2 3.89Å; M300-P349 HydrophobicContact CB-CB 3.84Å; M300-P349 HydrophobicContact CB-CG 3.99Å; M300-P349 HydrophobicContact CE-CB 4.41Å; M300-P349 PolarHBondContact N-O 2.92Å; M300-P349 HydrophobicContact SD-CB 4.41Å; M300-P349 HydrophobicContact SD-CG 4.21Å; M300-M351 HydrophobicContact CB-SD 4.38Å; M300-V686 HydrophobicContact CE-CG1 4.21Å; M300-L687 HydrophobicContact SD-CD1 4.46Å; M300-Q690 HydrophobicContact CE-CB 4.28Å; M300-Q690 HydrophobicContact CE-CG 4.32Å; M300-V705 HydrophobicContact CE-CB 4.21Å; M300-D706 WeakPolarHBondContact CA-O 3.22Å; M300-I708 HydrophobicContact CE-CD1 3.92Å; M300-I708 HydrophobicContact CE-CG1 4.13Å; M300-I708 HydrophobicContact SD-CB 4.35Å; M300-I708 HydrophobicContact SD-CD1 3.49Å; M300-I708 WeakPolarHBondContact SD-CD1 3.13Å; M300-I708 HydrophobicContact SD-CG1 3.57Å; M300-I708 VanDerWaalsContact SD-CG1 3.57Å | ||
| 301 | K | 97.3 | Very high | 92.9 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 27% | 0.27 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 140.4 | 172.6 | -56.7 | 175.1 | -177 | -178.5 | 0 | 110.1 | N186 A189 Y299 D706 C707 I708 | N186-K301 PolarHBondContact OD1-NZ 3.23Å; A189-K301 HydrophobicContact CB-CB 3.69Å; A189-K301 HydrophobicContact CB-CD 4.42Å; A189-K301 HydrophobicContact CB-CG 3.94Å; Y299-K301 PolarHBondContact O-N 2.96Å; K301-D706 PolarHBondContact N-O 3.34Å; K301-C707 HydrophobicContact CB-CB 3.72Å; K301-C707 CarbonylContact O-C 3.02Å; K301-C707 WeakPolarHBondContact O-CA 3.47Å; K301-C707 WeakPolarHBondContact O-CB 3.43Å; K301-I708 PolarHBondContact O-N 3.05Å |
| 302 | L | 95.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153 | 175.6 | -61.1 | 175.1 | 0 | 0 | 0 | 108.7 | I192 M300 A306 V307 L312 L687 I708 | I192-L302 HydrophobicContact CD1-CB 4.38Å; I192-L302 WeakPolarHBondContact CD1-O 3.39Å; I192-L302 HydrophobicContact CG2-CB 4.29Å; I192-L302 HydrophobicContact CG2-CD1 4.43Å; M300-L302 HydrophobicContact CG-CD2 4.29Å; M300-L302 HydrophobicContact SD-CD2 3.89Å; L302-A306 HydrophobicContact CD2-CB 4.45Å; L302-V307 HydrophobicContact CB-CG2 4.15Å; L302-V307 HydrophobicContact CD1-CG2 4.16Å; L302-L312 HydrophobicContact CD1-CD1 3.75Å; L302-L687 HydrophobicContact CD1-CD1 4.04Å; L302-L687 HydrophobicContact CD2-CD1 4.33Å; L302-I708 HydrophobicContact CD2-CB 3.7Å; L302-I708 HydrophobicContact CD2-CG1 4.38Å |
| 303 | D | 92 | Very high | 92.3 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | trans | -97.3 | 164.6 | 163.3 | 62.8 | 16.2 | 0 | 0 | 0 | 110.7 | I192 A305 A306 V307 L709 A710 | I192-D303 VanDerWaalsContact CD1-C 3.49Å; D303-A305 PolarHBondContact O-N 3.45Å; D303-A306 PolarHBondContact O-N 2.94Å; D303-A306 VanDerWaalsContact O-N 3.15Å; D303-A306 WeakPolarHBondContact OD1-CA 3.49Å; D303-A306 WeakPolarHBondContact OD1-CB 3.34Å; D303-A306 PolarHBondContact OD1-N 3.39Å; D303-V307 PolarHBondContact O-N 3.22Å; D303-V307 VanDerWaalsContact O-N 3.15Å; D303-L709 HydrophobicContact CB-CD2 4.06Å; D303-A710 PolarHBondContact OD1-N 3.44Å; D303-A710 PolarHBondContact OD2-N 3Å; D303-A710 VanDerWaalsContact OD2-N 3.08Å | ||
| 304 | I | 89.3 | Confident | 90.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -32.1 | -178.1 | -68.5 | 159.7 | 0 | 0 | 0 | 110.9 | E188 I192 R219 R308 | E188-I304 HydrophobicContact CG-CD1 3.94Å; E188-I304 HydrophobicContact CG-CG1 3.95Å; E188-I304 WeakPolarHBondContact OE1-CB 3.31Å; E188-I304 VanDerWaalsContact OE1-CD1 3.24Å; E188-I304 WeakPolarHBondContact OE1-CD1 3.47Å; E188-I304 WeakPolarHBondContact OE1-CG1 3.35Å; E188-I304 PolarHBondContact OE1-N 3.42Å; I192-I304 HydrophobicContact CD1-CG1 4.12Å; R219-I304 HydrophobicContact CB-CD1 3.63Å; I304-R308 PolarHBondContact O-N 3.17Å |
| 305 | A | 88.4 | Confident | 88.8 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D303 R308 A309 A710 | D303-A305 PolarHBondContact O-N 3.45Å; A305-R308 PolarHBondContact O-N 3.37Å; A305-A309 WeakPolarHBondContact O-CB 3.31Å; A305-A309 PolarHBondContact O-N 3.32Å; A305-A710 HydrophobicContact CB-CB 4.5Å; A305-A710 WeakPolarHBondContact CB-O 3.33Å |
| 306 | A | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L302 D303 R308 A309 L310 I708 A710 | L302-A306 HydrophobicContact CD2-CB 4.45Å; D303-A306 PolarHBondContact O-N 2.94Å; D303-A306 VanDerWaalsContact O-N 3.15Å; D303-A306 WeakPolarHBondContact OD1-CA 3.49Å; D303-A306 WeakPolarHBondContact OD1-CB 3.34Å; D303-A306 PolarHBondContact OD1-N 3.39Å; A306-R308 PolarHBondContact O-N 2.87Å; A306-A309 PolarHBondContact O-N 3.41Å; A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 VanDerWaalsContact O-CG 3.27Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.9Å; A306-I708 HydrophobicContact CB-CG2 4.38Å; A306-I708 WeakPolarHBondContact CB-O 3.45Å; A306-A710 HydrophobicContact CB-CB 3.8Å |
| 307 | V | 91.3 | Very high | 83.7 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.4 | -42 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | I192 L302 D303 L312 F313 | I192-V307 HydrophobicContact CD1-CG2 4Å; I192-V307 HydrophobicContact CG1-CG2 4.22Å; I192-V307 HydrophobicContact CG2-CG2 3.59Å; L302-V307 HydrophobicContact CB-CG2 4.15Å; L302-V307 HydrophobicContact CD1-CG2 4.16Å; D303-V307 PolarHBondContact O-N 3.22Å; D303-V307 VanDerWaalsContact O-N 3.15Å; V307-L312 HydrophobicContact CB-CD1 4.43Å; V307-L312 HydrophobicContact CG1-CB 4.38Å; V307-L312 HydrophobicContact CG1-CD1 4.34Å; V307-L312 HydrophobicContact CG2-CD1 4.27Å; V307-L312 PolarHBondContact O-N 3.41Å; V307-F313 HydrophobicContact CG1-CD2 4.27Å |
| 308 | R | 87.9 | Confident | 81.1 | Confident | 140 Ų | 140 | 52.7 Ų | 52.7 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.7 | -44.6 | 176.4 | -169 | -177.5 | -64.2 | 116.1 | 9 | 112.3 | I304 A305 A306 L310 N311 | I304-R308 PolarHBondContact O-N 3.17Å; A305-R308 PolarHBondContact O-N 3.37Å; A306-R308 PolarHBondContact O-N 2.87Å; R308-L310 PolarHBondContact O-N 3.12Å; R308-N311 PolarHBondContact O-N 2.79Å; R308-N311 VanDerWaalsContact O-N 3.08Å |
| 309 | A | 88 | Confident | 78.5 | Confident | 8 Ų | 8 | 53 Ų | 53 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A305 A306 N311 R680 A710 V712 | A305-A309 WeakPolarHBondContact O-CB 3.31Å; A305-A309 PolarHBondContact O-N 3.32Å; A306-A309 PolarHBondContact O-N 3.41Å; A309-N311 PolarHBondContact O-N 3.04Å; A309-R680 VanDerWaalsContact O-CD 3.3Å; A309-R680 WeakPolarHBondContact O-CD 3.18Å; A309-A710 HydrophobicContact CB-CB 4.14Å; A309-V712 HydrophobicContact CB-CB 3.96Å; A309-V712 HydrophobicContact CB-CG1 4.41Å; A309-V712 HydrophobicContact CB-CG2 3.69Å |
| 310 | L | 91.7 | Very high | 75.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0.6 | 176.9 | -56.1 | -177.6 | 0 | 0 | 0 | 112.8 | A306 R308 L312 R680 V684 L687 I708 I746 | A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 VanDerWaalsContact O-CG 3.27Å; A306-L310 WeakPolarHBondContact O-CG 3.38Å; A306-L310 PolarHBondContact O-N 2.9Å; R308-L310 PolarHBondContact O-N 3.12Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 HydrophobicContact CB-CD2 3.66Å; L310-L312 HydrophobicContact CB-CG 4.01Å; L310-L312 HydrophobicContact CD1-CD2 4.34Å; L310-L312 PolarHBondContact O-N 3.41Å; L310-R680 WeakPolarHBondContact CD2-O 3.5Å; L310-V684 HydrophobicContact CB-CG2 4.09Å; L310-V684 HydrophobicContact CD2-CG2 4.03Å; L310-L687 HydrophobicContact CD1-CD1 4.12Å; L310-I708 HydrophobicContact CD1-CD1 4.35Å; L310-I708 HydrophobicContact CD1-CG2 4.3Å; L310-I746 HydrophobicContact CD2-CD1 4.42Å |
| 311 | N | 90.3 | Very high | 72.9 | Confident | 48 Ų | 48 | 63 Ų | 63 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 46 | -178.4 | -158.8 | 27.8 | 0 | 0 | 0 | 112.5 | R308 A309 F313 Q324 S325 L326 | R308-N311 PolarHBondContact O-N 2.79Å; R308-N311 VanDerWaalsContact O-N 3.08Å; A309-N311 PolarHBondContact O-N 3.04Å; N311-F313 VanDerWaalsContact C-N 3.35Å; N311-F313 PolarHBondContact O-N 3.22Å; N311-Q324 PolarHBondContact ND2-O 3.03Å; N311-S325 CarbonylContact O-C 3.39Å; N311-S325 VanDerWaalsContact O-CA 3.28Å; N311-S325 WeakPolarHBondContact O-CA 3.18Å; N311-S325 VanDerWaalsContact O-CB 3.31Å; N311-S325 WeakPolarHBondContact O-CB 3.07Å; N311-L326 PolarHBondContact O-N 3.07Å |
| 312 | L | 89.7 | Confident | 70.5 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | trans | -63 | -41.9 | -171.4 | -62.1 | -173.7 | 0 | 0 | 0 | 112.1 | L302 V307 L310 L326 A327 I346 L687 | L302-L312 HydrophobicContact CD1-CD1 3.75Å; V307-L312 HydrophobicContact CB-CD1 4.43Å; V307-L312 HydrophobicContact CG1-CB 4.38Å; V307-L312 HydrophobicContact CG1-CD1 4.34Å; V307-L312 HydrophobicContact CG2-CD1 4.27Å; V307-L312 PolarHBondContact O-N 3.41Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 HydrophobicContact CB-CD2 3.66Å; L310-L312 HydrophobicContact CB-CG 4.01Å; L310-L312 HydrophobicContact CD1-CD2 4.34Å; L310-L312 PolarHBondContact O-N 3.41Å; L312-L326 HydrophobicContact CD2-CB 4.49Å; L312-L326 HydrophobicContact CD2-CD2 3.77Å; L312-A327 WeakPolarHBondContact O-CB 3.34Å; L312-A327 PolarHBondContact O-N 3.1Å; L312-I346 HydrophobicContact CB-CG2 4.17Å; L312-I346 HydrophobicContact CD1-CG2 4.44Å; L312-I346 HydrophobicContact CD2-CG2 4.4Å; L312-L687 HydrophobicContact CD1-CD1 3.97Å; L312-L687 HydrophobicContact CD2-CD1 3.93Å; L312-L687 HydrophobicContact CD2-CD2 3.89Å | ||
| 313 | F | 84.7 | Confident | 68.9 | Low | 67 Ų | 67 | 65.9 Ų | 65.9 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -125.7 | 153.5 | 179.1 | -55.6 | -73.1 | 0 | 0 | 0 | 109.4 | V307 N311 G315 S325 A327 I346 K347 | V307-F313 HydrophobicContact CG1-CD2 4.27Å; N311-F313 VanDerWaalsContact C-N 3.35Å; N311-F313 PolarHBondContact O-N 3.22Å; F313-G315 PolarHBondContact O-N 3.39Å; F313-S325 VanDerWaalsContact C-CB 3.44Å; F313-A327 HydrophobicContact CD1-CB 3.68Å; F313-A327 HydrophobicContact CE1-CB 3.93Å; F313-I346 HydrophobicContact CE1-CB 4.34Å; F313-I346 HydrophobicContact CE1-CG2 4.09Å; F313-I346 HydrophobicContact CE2-CG2 4.25Å; F313-I346 HydrophobicContact CZ-CB 4.02Å; F313-I346 HydrophobicContact CZ-CG2 3.6Å; F313-K347 HydrophobicContact CE2-CG 3.78Å; F313-K347 HydrophobicContact CZ-CD 4.32Å; F313-K347 HydrophobicContact CZ-CG 3.47Å; F313-K347 VanDerWaalsContact CZ-CG 3.47Å |
| 314 | Q | 61.7 | Low | 68.4 | Low | 145 Ų | 145 | 68.4 Ų | 68.4 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | trans | -59.9 | 135.1 | 175.9 | -90.3 | 173.4 | -16.3 | 0 | 0 | 109.8 | S325 | Q314-S325 PolarHBondContact N-OG 3.03Š| ||
| 315 | G | 54.2 | Low | 68.4 | Low | 42 Ų | 42 | 67.7 Ų | 67.7 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | trans | -64.6 | 179.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | F313 D319 | F313-G315 PolarHBondContact O-N 3.39Å; G315-D319 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 316 | S | 41.8 | Very low | 68.5 | Low | 82 Ų | 82 | 67.3 Ų | 67.3 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | trans | -52.3 | 153.7 | 175.6 | 31.3 | 0 | 0 | 0 | 0 | 111.6 | E318 D319 | S316-E318 PolarHBondContact O-N 3.27Å; S316-D319 WeakPolarHBondContact O-CB 3.27Å; S316-D319 PolarHBondContact O-N 2.8Å | ||
| 317 | V | 38.6 | Very low | 68.5 | Low | 145 Ų | 145 | 67.6 Ų | 67.6 | 88% | 0.879 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -16.2 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 318 | E | 37.9 | Very low | 68.4 | Low | 169 Ų | 169 | 67.3 Ų | 67.3 | 79% | 0.79 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.8 | 175.1 | -65.8 | -177.4 | 167.5 | 0 | 0 | 114.4 | S316 T320 | S316-E318 PolarHBondContact O-N 3.27Å; E318-T320 PolarHBondContact O-N 3.37Å; E318-T320 PolarHBondContact O-OG1 3.17Å |
| 319 | D | 41.3 | Very low | 68.7 | Low | 99 Ų | 99 | 61.1 Ų | 61.1 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | trans | -73.4 | 80.8 | 172.9 | -75.4 | -29 | 0 | 0 | 0 | 109.2 | G315 S316 T321 | G315-D319 WeakPolarHBondContact CA-OD2 3.36Å; S316-D319 WeakPolarHBondContact O-CB 3.27Å; S316-D319 PolarHBondContact O-N 2.8Å; D319-T321 PolarHBondContact O-N 2.96Å; D319-T321 VanDerWaalsContact O-N 3.13Å | ||
| 320 | T | 34.3 | Very low | 69 | Low | 137 Ų | 137 | 60.8 Ų | 60.8 | 84% | 0.84 | 37% | 0.368 | S | S | * | . | trans | -73.8 | 8.4 | -179.8 | 12.5 | 0 | 0 | 0 | 0 | 112.8 | E318 G322 | E318-T320 PolarHBondContact O-N 3.37Å; E318-T320 PolarHBondContact O-OG1 3.17Å; T320-G322 PolarHBondContact O-N 2.99Å | ||
| 321 | T | 43 | Very low | 69.1 | Low | 106 Ų | 106 | 62 Ų | 62 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | trans | -71.5 | 114.1 | 172.8 | 57.4 | 0 | 0 | 0 | 0 | 108 | D319 S323 | D319-T321 PolarHBondContact O-N 2.96Å; D319-T321 VanDerWaalsContact O-N 3.13Å; T321-S323 PolarHBondContact O-N 3.26Å | ||
| 322 | G | 47.6 | Very low | 69.3 | Low | 85 Ų | 85 | 63.3 Ų | 63.3 | 88% | 0.876 | 38% | 0.378 | S | S | * | . | trans | -61.6 | 23.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T320 | T320-G322 PolarHBondContact O-N 2.99Š| ||
| 323 | S | 61.5 | Low | 69.6 | Low | 41 Ų | 41 | 63.7 Ų | 63.7 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 127.5 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | T321 Q645 | T321-S323 PolarHBondContact O-N 3.26Å; S323-Q645 VanDerWaalsContact CB-NE2 3.34Å; S323-Q645 PolarHBondContact OG-NE2 3.29Å |
| 324 | Q | 81 | Confident | 70.1 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 143.2 | 177.8 | -167.4 | 170 | 27.6 | 0 | 0 | 111.7 | N311 A328 C641 | N311-Q324 PolarHBondContact ND2-O 3.03Å; Q324-A328 HydrophobicContact CG-CB 3.5Å; Q324-A328 VanDerWaalsContact CG-CB 3.5Å; Q324-A328 PolarHBondContact NE2-O 3.16Å; Q324-A328 VanDerWaalsContact NE2-O 3.08Å; Q324-C641 WeakPolarHBondContact O-CB 3.41Å |
| 325 | S | 89.4 | Confident | 71.6 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 160.1 | 172.4 | 67.4 | 0 | 0 | 0 | 0 | 112 | N311 F313 Q314 A327 A328 L329 | N311-S325 CarbonylContact O-C 3.39Å; N311-S325 VanDerWaalsContact O-CA 3.28Å; N311-S325 WeakPolarHBondContact O-CA 3.18Å; N311-S325 VanDerWaalsContact O-CB 3.31Å; N311-S325 WeakPolarHBondContact O-CB 3.07Å; F313-S325 VanDerWaalsContact C-CB 3.44Å; Q314-S325 PolarHBondContact N-OG 3.03Å; S325-A327 VanDerWaalsContact C-N 3.29Å; S325-A327 PolarHBondContact O-N 3.41Å; S325-A328 PolarHBondContact O-N 3.31Å; S325-A328 VanDerWaalsContact O-N 3.11Å; S325-A328 WeakPolarHBondContact OG-CB 3.01Å; S325-A328 PolarHBondContact OG-N 3.34Å; S325-A328 VanDerWaalsContact OG-N 3.16Å; S325-L329 PolarHBondContact O-N 3.09Å |
| 326 | L | 91.9 | Very high | 73.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177.7 | -174 | 65 | 0 | 0 | 0 | 111.7 | N311 L312 L329 L330 A640 V684 L687 M688 | N311-L326 PolarHBondContact O-N 3.07Å; L312-L326 HydrophobicContact CD2-CB 4.49Å; L312-L326 HydrophobicContact CD2-CD2 3.77Å; L326-L329 HydrophobicContact CD1-CD2 4.44Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.84Å; L326-L330 HydrophobicContact CD1-CD1 3.83Å; L326-L330 HydrophobicContact CD1-CG 4.05Å; L326-L330 HydrophobicContact CD2-CD1 4.4Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 HydrophobicContact CG-CG 4.35Å; L326-L330 PolarHBondContact O-N 3.2Å; L326-A640 HydrophobicContact CD1-CB 4.4Å; L326-V684 HydrophobicContact CD1-CG1 3.97Å; L326-V684 HydrophobicContact CD2-CG1 4.26Å; L326-L687 HydrophobicContact CD2-CD2 3.69Å; L326-M688 HydrophobicContact CD1-CG 4.19Å; L326-M688 HydrophobicContact CD1-SD 3.85Å; L326-M688 HydrophobicContact CD2-CG 4.21Å |
| 327 | A | 90.9 | Very high | 75.4 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L312 F313 S325 L329 L330 N331 I346 | L312-A327 WeakPolarHBondContact O-CB 3.34Å; L312-A327 PolarHBondContact O-N 3.1Å; F313-A327 HydrophobicContact CD1-CB 3.68Å; F313-A327 HydrophobicContact CE1-CB 3.93Å; S325-A327 VanDerWaalsContact C-N 3.29Å; S325-A327 PolarHBondContact O-N 3.41Å; A327-L329 PolarHBondContact O-N 3.19Å; A327-L330 PolarHBondContact O-N 3.37Å; A327-N331 WeakPolarHBondContact O-CA 3.43Å; A327-N331 WeakPolarHBondContact O-CB 3.3Å; A327-N331 PolarHBondContact O-N 3.28Å; A327-I346 HydrophobicContact CB-CD1 3.74Å |
| 328 | A | 89.9 | Confident | 78 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -27.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Q324 S325 K332 | Q324-A328 HydrophobicContact CG-CB 3.5Å; Q324-A328 VanDerWaalsContact CG-CB 3.5Å; Q324-A328 PolarHBondContact NE2-O 3.16Å; Q324-A328 VanDerWaalsContact NE2-O 3.08Å; S325-A328 PolarHBondContact O-N 3.31Å; S325-A328 VanDerWaalsContact O-N 3.11Å; S325-A328 WeakPolarHBondContact OG-CB 3.01Å; S325-A328 PolarHBondContact OG-N 3.34Å; S325-A328 VanDerWaalsContact OG-N 3.16Å; A328-K332 PolarHBondContact O-NZ 2.89Å |
| 329 | L | 92.5 | Very high | 80.5 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.2 | -55.1 | 174.1 | -178.9 | 66.3 | 0 | 0 | 0 | 111.6 | S325 L326 A327 K332 V611 A640 V644 | S325-L329 PolarHBondContact O-N 3.09Å; L326-L329 HydrophobicContact CD1-CD2 4.44Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.84Å; A327-L329 PolarHBondContact O-N 3.19Å; L329-K332 WeakPolarHBondContact O-CE 3.42Å; L329-V611 HydrophobicContact CG-CG1 4.34Å; L329-V611 WeakPolarHBondContact O-CG2 3.23Å; L329-A640 HydrophobicContact CD2-CB 3.68Å; L329-A640 WeakPolarHBondContact CD2-O 3.47Å; L329-V644 HydrophobicContact CD1-CG1 4.28Å; L329-V644 HydrophobicContact CD1-CG2 4.08Å |
| 330 | L | 95.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -81 | -27.6 | -172.1 | -63.7 | 179.3 | 0 | 0 | 0 | 114 | L326 A327 K332 S607 F608 V611 M688 | L326-L330 HydrophobicContact CD1-CD1 3.83Å; L326-L330 HydrophobicContact CD1-CG 4.05Å; L326-L330 HydrophobicContact CD2-CD1 4.4Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 HydrophobicContact CG-CG 4.35Å; L326-L330 PolarHBondContact O-N 3.2Å; A327-L330 PolarHBondContact O-N 3.37Å; L330-K332 PolarHBondContact O-N 3.16Å; L330-K332 VanDerWaalsContact O-N 3.17Å; L330-S607 PolarHBondContact O-OG 3.36Å; L330-F608 HydrophobicContact CB-CD1 4.41Å; L330-F608 HydrophobicContact CB-CE1 4.1Å; L330-V611 HydrophobicContact CD2-CG1 4.03Å; L330-M688 HydrophobicContact CD1-CG 4.29Å; L330-M688 HydrophobicContact CD2-CE 4.09Å |
| 331 | N | 93.8 | Very high | 85.5 | Confident | 26 Ų | 26 | 31.8 Ų | 31.8 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | trans | -87 | 84.1 | -176.7 | -164.2 | -11.8 | 0 | 0 | 0 | 110.9 | A327 Q339 V342 N343 | A327-N331 WeakPolarHBondContact O-CA 3.43Å; A327-N331 WeakPolarHBondContact O-CB 3.3Å; A327-N331 PolarHBondContact O-N 3.28Å; N331-Q339 PolarHBondContact ND2-O 3.48Å; N331-Q339 WeakPolarHBondContact OD1-CA 3.48Å; N331-V342 HydrophobicContact CB-CB 4.38Å; N331-V342 HydrophobicContact CB-CG1 3.82Å; N331-N343 VanDerWaalsContact ND2-CG 3.34Å; N331-N343 PolarHBondContact ND2-ND2 3.17Å; N331-N343 PolarHBondContact ND2-OD1 2.99Å | ||
| 332 | K | 95.4 | Very high | 88 | Confident | 77 Ų | 77 | 26.8 Ų | 26.8 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | trans | -111 | 22.1 | 173.2 | -57.3 | -54.5 | -173.6 | -159.5 | 0 | 112 | A328 L329 L330 S607 V611 | A328-K332 PolarHBondContact O-NZ 2.89Å; L329-K332 WeakPolarHBondContact O-CE 3.42Å; L330-K332 PolarHBondContact O-N 3.16Å; L330-K332 VanDerWaalsContact O-N 3.17Å; K332-S607 WeakPolarHBondContact CA-OG 3.33Å; K332-S607 PolarHBondContact N-OG 2.87Å; K332-V611 HydrophobicContact CB-CG2 4.26Å; K332-V611 HydrophobicContact CG-CG2 3.54Å | ||
| 333 | C | 95.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 5% | 0.054 | 13% | 0.126 | C | C | . | . | trans | -58 | 142.9 | 176.4 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | G338 Q339 V342 D603 S607 | C333-G338 VanDerWaalsContact SG-C 3.55Å; C333-Q339 HydrophobicContact CB-CB 4.44Å; C333-Q339 HydrophobicContact CB-CG 3.74Å; C333-Q339 PolarHBondContact O-NE2 3.38Å; C333-V342 WeakPolarHBondContact SG-CG2 3.28Å; C333-D603 VanDerWaalsContact CA-OD1 3.26Å; C333-D603 WeakPolarHBondContact CA-OD1 3.45Å; C333-D603 VanDerWaalsContact CB-OD2 3.29Å; C333-D603 WeakPolarHBondContact CB-OD2 3.29Å; C333-D603 PolarHBondContact SG-O 3.5Å; C333-D603 VanDerWaalsContact SG-O 3.4Å; C333-S607 PolarHBondContact N-OG 2.7Å; C333-S607 VanDerWaalsContact SG-CB 3.58Å | ||
| 334 | K | 94.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 25.2 Ų | 25.2 | 40% | 0.4 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -92.4 | -14.2 | -178.1 | -60.7 | -55.2 | -176 | -165.4 | 0 | 113.8 | Q377 L381 R382 D603 | K334-Q377 WeakPolarHBondContact CE-O 3.11Å; K334-Q377 HydrophobicContact CG-CG 4.22Å; K334-Q377 WeakPolarHBondContact CG-O 3.46Å; K334-L381 HydrophobicContact CB-CB 4Å; K334-L381 HydrophobicContact CG-CB 4.44Å; K334-R382 HydrophobicContact CB-CB 4.32Å; K334-D603 PolarHBondContact N-OD1 2.79Å; K334-D603 PolarHBondContact N-OD2 2.83Å; K334-D603 VanDerWaalsContact N-OD2 3.08Å |
| 335 | T | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -115.1 | 147.7 | 179.7 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | Q337 G338 Q339 L381 F384 D603 | T335-Q337 VanDerWaalsContact C-N 3.26Å; T335-Q337 VanDerWaalsContact CB-NE2 3.26Å; T335-Q337 PolarHBondContact O-N 3.14Å; T335-Q337 WeakPolarHBondContact OG1-CG 3.31Å; T335-Q337 PolarHBondContact OG1-NE2 2.83Å; T335-G338 PolarHBondContact O-N 2.88Å; T335-G338 PolarHBondContact OG1-N 2.88Å; T335-G338 VanDerWaalsContact OG1-N 3.15Å; T335-Q339 WeakPolarHBondContact O-CG 3.31Å; T335-Q339 PolarHBondContact O-N 2.96Å; T335-L381 HydrophobicContact CG2-CB 4.45Å; T335-L381 WeakPolarHBondContact CG2-O 3.5Å; T335-F384 HydrophobicContact CG2-CB 4.31Å; T335-D603 WeakPolarHBondContact CB-OD2 3.25Å; T335-D603 PolarHBondContact N-OD2 3.11Å; T335-D603 PolarHBondContact OG1-OD2 2.92Å |
| 336 | P | 88.4 | Confident | 92.6 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 14% | 0.136 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -36.3 | 175.6 | -28 | 37.7 | 0 | 0 | 0 | 113.1 | Q339 R340 D386 | P336-Q339 PolarHBondContact O-N 2.96Å; P336-R340 WeakPolarHBondContact O-CG 3.38Å; P336-R340 PolarHBondContact O-N 3.18Å; P336-D386 HydrophobicContact CB-CB 4.26Å; P336-D386 HydrophobicContact CG-CB 4.16Å |
| 337 | Q | 88.5 | Confident | 92.6 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 176.2 | 58.4 | -87.5 | 3.1 | 0 | 0 | 113.2 | T335 R340 L341 P385 N596 A600 | T335-Q337 VanDerWaalsContact C-N 3.26Å; T335-Q337 VanDerWaalsContact CB-NE2 3.26Å; T335-Q337 PolarHBondContact O-N 3.14Å; T335-Q337 WeakPolarHBondContact OG1-CG 3.31Å; T335-Q337 PolarHBondContact OG1-NE2 2.83Å; Q337-R340 PolarHBondContact O-N 2.96Å; Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 PolarHBondContact O-N 2.79Å; Q337-P385 PolarHBondContact NE2-O 3.34Å; Q337-P385 PolarHBondContact OE1-O 2.99Å; Q337-N596 WeakPolarHBondContact CB-OD1 3.43Å; Q337-A600 HydrophobicContact CB-CB 3.92Å; Q337-A600 HydrophobicContact CG-CB 3.98Å |
| 338 | G | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C333 T335 R340 L341 V342 | C333-G338 VanDerWaalsContact SG-C 3.55Å; T335-G338 PolarHBondContact O-N 2.88Å; T335-G338 PolarHBondContact OG1-N 2.88Å; T335-G338 VanDerWaalsContact OG1-N 3.15Å; G338-R340 VanDerWaalsContact C-N 3.35Å; G338-R340 PolarHBondContact O-N 3Å; G338-L341 PolarHBondContact O-N 3.38Å; G338-L341 VanDerWaalsContact O-N 3.13Å; G338-V342 PolarHBondContact O-N 3.24Å |
| 339 | Q | 90.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 18% | 0.178 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 177.6 | -68.7 | 169.6 | 6.6 | 0 | 0 | 112.6 | S142 N331 C333 T335 P336 N343 | S142-Q339 PolarHBondContact OG-OE1 3.2Å; N331-Q339 PolarHBondContact ND2-O 3.48Å; N331-Q339 WeakPolarHBondContact OD1-CA 3.48Å; C333-Q339 HydrophobicContact CB-CB 4.44Å; C333-Q339 HydrophobicContact CB-CG 3.74Å; C333-Q339 PolarHBondContact O-NE2 3.38Å; T335-Q339 WeakPolarHBondContact O-CG 3.31Å; T335-Q339 PolarHBondContact O-N 2.96Å; P336-Q339 PolarHBondContact O-N 2.96Å; Q339-N343 PolarHBondContact O-N 3.2Å; Q339-N343 PolarHBondContact O-ND2 3.23Å |
| 340 | R | 87.2 | Confident | 93.5 | Very high | 34 Ų | 34 | 23 Ų | 23 | 13% | 0.128 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 175 | -73 | -174.6 | -68.3 | -109.1 | 5.7 | 111.2 | P336 Q337 G338 N343 Q344 D386 | P336-R340 WeakPolarHBondContact O-CG 3.38Å; P336-R340 PolarHBondContact O-N 3.18Å; Q337-R340 PolarHBondContact O-N 2.96Å; G338-R340 VanDerWaalsContact C-N 3.35Å; G338-R340 PolarHBondContact O-N 3Å; R340-N343 PolarHBondContact O-N 3.44Å; R340-Q344 PolarHBondContact O-N 2.97Å; R340-D386 IonicContact CZ-OD1 3.27Å; R340-D386 IonicContact CZ-OD2 3.38Å; R340-D386 IonicContact NH1-OD1 3.66Å; R340-D386 IonicContact NH1-OD2 2.81Å; R340-D386 PolarHBondContact NH1-OD2 2.66Å; R340-D386 IonicContact NH2-OD1 3Å; R340-D386 PolarHBondContact NH2-OD1 3.39Å; R340-D386 IonicContact NH2-OD2 2.88Å; R340-D386 PolarHBondContact NH2-OD2 3.19Å; R340-D386 VanDerWaalsContact NH2-OD2 3.08Å |
| 341 | L | 93 | Very high | 93.7 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | -177.7 | -173.6 | 64.1 | 0 | 0 | 0 | 112.6 | Q337 G338 N343 Q344 W345 A600 Q601 A604 | Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 PolarHBondContact O-N 2.79Å; G338-L341 PolarHBondContact O-N 3.38Å; G338-L341 VanDerWaalsContact O-N 3.13Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.09Å; L341-Q344 CarbonylContact O-C 3.53Å; L341-Q344 WeakPolarHBondContact O-CA 3.13Å; L341-Q344 WeakPolarHBondContact O-CB 3.45Å; L341-Q344 PolarHBondContact O-N 3.46Å; L341-Q344 VanDerWaalsContact O-N 3.09Å; L341-W345 HydrophobicContact CD2-CH2 4.36Å; L341-W345 HydrophobicContact CD2-CZ2 3.7Å; L341-W345 HydrophobicContact CG-CD2 4.35Å; L341-W345 HydrophobicContact CG-CZ2 4.06Å; L341-W345 PolarHBondContact O-N 3.42Å; L341-A600 HydrophobicContact CB-CB 4.14Å; L341-A600 VanDerWaalsContact CD2-C 3.45Å; L341-A600 HydrophobicContact CD2-CB 3.78Å; L341-Q601 HydrophobicContact CD2-CB 4.29Å; L341-A604 HydrophobicContact CD2-CB 4.22Å |
| 342 | V | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | N331 C333 G338 Q344 W345 I346 A604 F608 | N331-V342 HydrophobicContact CB-CB 4.38Å; N331-V342 HydrophobicContact CB-CG1 3.82Å; C333-V342 WeakPolarHBondContact SG-CG2 3.28Å; G338-V342 PolarHBondContact O-N 3.24Å; V342-Q344 VanDerWaalsContact C-N 3.25Å; V342-Q344 PolarHBondContact O-N 3.27Å; V342-W345 PolarHBondContact O-N 3.01Å; V342-I346 HydrophobicContact CG1-CD1 4.12Å; V342-I346 WeakPolarHBondContact O-CG1 3.36Å; V342-I346 PolarHBondContact O-N 3.36Å; V342-A604 HydrophobicContact CG2-CB 3.59Å; V342-F608 HydrophobicContact CG1-CE1 3.93Å; V342-F608 HydrophobicContact CG1-CZ 4.39Å; V342-F608 HydrophobicContact CG2-CE1 4.3Å |
| 343 | N | 91.4 | Very high | 94 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 20% | 0.203 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 175.3 | -71.2 | -20.9 | 0 | 0 | 0 | 111.8 | N331 Q339 R340 L341 K347 | N331-N343 VanDerWaalsContact ND2-CG 3.34Å; N331-N343 PolarHBondContact ND2-ND2 3.17Å; N331-N343 PolarHBondContact ND2-OD1 2.99Å; Q339-N343 PolarHBondContact O-N 3.2Å; Q339-N343 PolarHBondContact O-ND2 3.23Å; R340-N343 PolarHBondContact O-N 3.44Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.09Å; N343-K347 WeakPolarHBondContact O-CG 3.44Å; N343-K347 PolarHBondContact O-N 3.06Å |
| 344 | Q | 91.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 173.2 | -178.2 | -175.4 | -19 | 0 | 0 | 111.9 | R340 L341 V342 I346 K347 Q348 | R340-Q344 PolarHBondContact O-N 2.97Å; L341-Q344 CarbonylContact O-C 3.53Å; L341-Q344 WeakPolarHBondContact O-CA 3.13Å; L341-Q344 WeakPolarHBondContact O-CB 3.45Å; L341-Q344 PolarHBondContact O-N 3.46Å; L341-Q344 VanDerWaalsContact O-N 3.09Å; V342-Q344 VanDerWaalsContact C-N 3.25Å; V342-Q344 PolarHBondContact O-N 3.27Å; Q344-I346 VanDerWaalsContact C-N 3.27Å; Q344-I346 PolarHBondContact O-N 3.29Å; Q344-K347 WeakPolarHBondContact O-CB 3.48Å; Q344-K347 PolarHBondContact O-N 3.27Å; Q344-K347 VanDerWaalsContact O-N 3.07Å; Q344-Q348 WeakPolarHBondContact O-CB 3.22Å; Q344-Q348 PolarHBondContact O-N 3.18Å |
| 345 | W | 96.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -35.5 | 178.8 | -72.7 | -0.1 | 0 | 0 | 0 | 112.5 | L341 V342 K347 Q348 R359 Q601 A604 V605 F608 I691 | L341-W345 HydrophobicContact CD2-CH2 4.36Å; L341-W345 HydrophobicContact CD2-CZ2 3.7Å; L341-W345 HydrophobicContact CG-CD2 4.35Å; L341-W345 HydrophobicContact CG-CZ2 4.06Å; L341-W345 PolarHBondContact O-N 3.42Å; V342-W345 PolarHBondContact O-N 3.01Å; W345-K347 VanDerWaalsContact C-N 3.35Å; W345-Q348 CarbonylContact O-C 3.57Å; W345-Q348 PolarHBondContact O-N 3.46Å; W345-Q348 VanDerWaalsContact O-N 3.17Å; W345-R359 HydrophobicContact CH2-CG 4.26Å; W345-R359 HydrophobicContact CZ3-CG 4.15Å; W345-Q601 HydrophobicContact CH2-CG 4.31Å; W345-Q601 HydrophobicContact CZ2-CG 4.38Å; W345-A604 HydrophobicContact CE3-CB 4.14Å; W345-A604 HydrophobicContact CH2-CB 3.72Å; W345-A604 HydrophobicContact CZ2-CB 4.46Å; W345-A604 HydrophobicContact CZ3-CB 3.53Å; W345-V605 HydrophobicContact CH2-CG1 4.14Å; W345-V605 HydrophobicContact CZ3-CG1 4.3Å; W345-F608 AromaticContact CE3-CE2 3.65Å; W345-F608 HydrophobicContact CE3-CE2 3.65Å; W345-F608 AromaticContact CE3-CZ 3.87Å; W345-F608 HydrophobicContact CE3-CZ 3.87Å; W345-F608 HydrophobicContact CZ3-CD2 4.48Å; W345-F608 AromaticContact CZ3-CE2 3.84Å; W345-F608 HydrophobicContact CZ3-CE2 3.84Å; W345-F608 HydrophobicContact CZ3-CZ 4.38Å; W345-I691 HydrophobicContact CB-CG2 4.48Å |
| 346 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.5 | -66 | 166.3 | 0 | 0 | 0 | 111.7 | L312 F313 A327 V342 Q344 Q348 I691 | L312-I346 HydrophobicContact CB-CG2 4.17Å; L312-I346 HydrophobicContact CD1-CG2 4.44Å; L312-I346 HydrophobicContact CD2-CG2 4.4Å; F313-I346 HydrophobicContact CE1-CB 4.34Å; F313-I346 HydrophobicContact CE1-CG2 4.09Å; F313-I346 HydrophobicContact CE2-CG2 4.25Å; F313-I346 HydrophobicContact CZ-CB 4.02Å; F313-I346 HydrophobicContact CZ-CG2 3.6Å; A327-I346 HydrophobicContact CB-CD1 3.74Å; V342-I346 HydrophobicContact CG1-CD1 4.12Å; V342-I346 WeakPolarHBondContact O-CG1 3.36Å; V342-I346 PolarHBondContact O-N 3.36Å; Q344-I346 VanDerWaalsContact C-N 3.27Å; Q344-I346 PolarHBondContact O-N 3.29Å; I346-Q348 VanDerWaalsContact C-N 3.26Å; I346-Q348 PolarHBondContact O-N 3.12Å; I346-I691 HydrophobicContact CB-CD1 4.22Å; I346-I691 HydrophobicContact CG1-CD1 3.78Å |
| 347 | K | 93.4 | Very high | 95 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.4 | -22.7 | 174.9 | -65.6 | -175 | -67.3 | 177.3 | 0 | 112.8 | Q193 I194 F313 N343 Q344 W345 P349 | Q193-K347 WeakPolarHBondContact CG-O 3.37Å; I194-K347 PolarHBondContact O-NZ 2.94Å; F313-K347 HydrophobicContact CE2-CG 3.78Å; F313-K347 HydrophobicContact CZ-CD 4.32Å; F313-K347 HydrophobicContact CZ-CG 3.47Å; F313-K347 VanDerWaalsContact CZ-CG 3.47Å; N343-K347 WeakPolarHBondContact O-CG 3.44Å; N343-K347 PolarHBondContact O-N 3.06Å; Q344-K347 WeakPolarHBondContact O-CB 3.48Å; Q344-K347 PolarHBondContact O-N 3.27Å; Q344-K347 VanDerWaalsContact O-N 3.07Å; W345-K347 VanDerWaalsContact C-N 3.35Å; K347-P349 VanDerWaalsContact C-CD 3.49Å |
| 348 | Q | 95.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128.3 | 62.8 | -170.5 | -64 | 173.6 | 3.2 | 0 | 0 | 111.8 | Q193 Y299 Q344 W345 I346 | Q193-Q348 HydrophobicContact CB-CG 4.21Å; Q193-Q348 PolarHBondContact O-NE2 3.47Å; Y299-Q348 HydrophobicContact CD1-CB 3.62Å; Y299-Q348 HydrophobicContact CD1-CG 4.48Å; Y299-Q348 WeakPolarHBondContact CD1-O 3.22Å; Y299-Q348 HydrophobicContact CD2-CB 4.39Å; Y299-Q348 HydrophobicContact CD2-CG 4.42Å; Y299-Q348 HydrophobicContact CE1-CB 3.88Å; Y299-Q348 HydrophobicContact CG-CB 3.89Å; Y299-Q348 HydrophobicContact CG-CG 4.35Å; Q344-Q348 WeakPolarHBondContact O-CB 3.22Å; Q344-Q348 PolarHBondContact O-N 3.18Å; W345-Q348 CarbonylContact O-C 3.57Å; W345-Q348 PolarHBondContact O-N 3.46Å; W345-Q348 VanDerWaalsContact O-N 3.17Å; I346-Q348 VanDerWaalsContact C-N 3.26Å; I346-Q348 PolarHBondContact O-N 3.12Å |
| 349 | P | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -61.1 | 140.1 | 174.5 | -17.4 | 30.7 | 0 | 0 | 0 | 110.3 | Y299 M300 K347 L687 Q690 I691 | Y299-P349 CarbonylContact C-O 3.53Å; Y299-P349 WeakPolarHBondContact CA-O 3.45Å; Y299-P349 WeakPolarHBondContact CB-O 3.41Å; M300-P349 HydrophobicContact CB-CB 3.84Å; M300-P349 HydrophobicContact CB-CG 3.99Å; M300-P349 HydrophobicContact CE-CB 4.41Å; M300-P349 PolarHBondContact N-O 2.92Å; M300-P349 HydrophobicContact SD-CB 4.41Å; M300-P349 HydrophobicContact SD-CG 4.21Å; K347-P349 VanDerWaalsContact C-CD 3.49Å; P349-L687 HydrophobicContact CG-CD1 4.12Å; P349-L687 HydrophobicContact CG-CG 3.97Å; P349-Q690 HydrophobicContact CB-CB 3.87Å; P349-I691 HydrophobicContact CB-CG1 4.46Å | ||
| 350 | L | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 149.4 | -171.2 | -63.2 | 171.3 | 0 | 0 | 0 | 112.3 | Y299 R355 I356 Q690 | Y299-L350 HydrophobicContact CD1-CD2 4.45Å; Y299-L350 HydrophobicContact CE1-CD2 4.11Å; L350-R355 HydrophobicContact CD1-CB 3.75Å; L350-I356 HydrophobicContact CB-CD1 4.2Å; L350-I356 HydrophobicContact CB-CG1 3.6Å; L350-I356 HydrophobicContact CD1-CG1 3.97Å; L350-I356 HydrophobicContact CG-CG1 4.44Å; L350-Q690 WeakPolarHBondContact CB-O 3.36Å; L350-Q690 PolarHBondContact N-O 3.13Å; L350-Q690 PolarHBondContact O-NE2 2.92Å |
| 351 | M | 98 | Very high | 96.6 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | trans | -104.7 | -16.3 | 171.1 | -65.2 | -58.6 | -61.9 | 0 | 0 | 113.7 | Q298 Y299 M300 K627 Q690 I704 D706 | Q298-M351 WeakPolarHBondContact O-CB 3.18Å; Q298-M351 WeakPolarHBondContact O-CG 3.45Å; Q298-M351 PolarHBondContact O-N 3.47Å; Q298-M351 VanDerWaalsContact O-N 3.12Å; Y299-M351 VanDerWaalsContact C-CG 3.49Å; M300-M351 HydrophobicContact CB-SD 4.38Å; M351-K627 HydrophobicContact CE-CD 3.95Å; M351-Q690 PolarHBondContact SD-NE2 3.33Å; M351-I704 HydrophobicContact CE-CG2 3.47Å; M351-I704 VanDerWaalsContact CE-CG2 3.47Å; M351-I704 HydrophobicContact SD-CG2 3.92Å; M351-D706 VanDerWaalsContact CE-CA 3.49Å; M351-D706 HydrophobicContact CE-CB 3.71Å | ||
| 352 | D | 98.1 | Very high | 96.8 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | trans | -89.2 | 118.3 | 179.2 | 177.5 | 9.3 | 0 | 0 | 0 | 110.7 | N354 R355 I356 | D352-N354 VanDerWaalsContact C-N 3.26Å; D352-N354 PolarHBondContact O-N 3.48Å; D352-N354 PolarHBondContact OD1-N 3.16Å; D352-R355 HydrophobicContact CB-CB 4.34Å; D352-R355 HydrophobicContact CB-CG 4.28Å; D352-R355 PolarHBondContact O-N 3.36Å; D352-R355 WeakPolarHBondContact OD2-CG 3.42Å; D352-I356 WeakPolarHBondContact O-CG1 3.43Å; D352-I356 PolarHBondContact O-N 2.99Å; D352-I356 VanDerWaalsContact O-N 3.14Å | ||
| 353 | K | 98.1 | Very high | 97 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -53.2 | -43 | 178 | -177.9 | 177.8 | 179.3 | 173.4 | 0 | 112.3 | R355 I356 E357 I624 E626 I704 | K353-R355 PolarHBondContact O-N 3.13Å; K353-I356 PolarHBondContact O-N 2.86Å; K353-E357 HydrophobicContact CG-CG 4.16Å; K353-E357 WeakPolarHBondContact O-CG 3.41Å; K353-E357 PolarHBondContact O-N 2.88Å; K353-I624 VanDerWaalsContact CE-O 3.23Å; K353-I624 WeakPolarHBondContact CE-O 3.02Å; K353-I624 HydrophobicContact CG-CG2 4.11Å; K353-I624 PolarHBondContact NZ-O 3.4Å; K353-E626 HydrophobicContact CD-CG 4.17Å; K353-E626 WeakPolarHBondContact CD-OE1 3.19Å; K353-I704 HydrophobicContact CB-CD1 3.89Å |
| 354 | N | 97.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 32.8 Ų | 32.8 | 63% | 0.631 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -65.2 | -42.5 | -174.5 | -66.2 | -42.1 | 0 | 0 | 0 | 111.4 | D352 I356 E357 E358 | D352-N354 VanDerWaalsContact C-N 3.26Å; D352-N354 PolarHBondContact O-N 3.48Å; D352-N354 PolarHBondContact OD1-N 3.16Å; N354-I356 VanDerWaalsContact C-N 3.33Å; N354-I356 PolarHBondContact O-N 3.5Å; N354-E357 PolarHBondContact O-N 2.9Å; N354-E358 WeakPolarHBondContact O-CB 3.27Å; N354-E358 PolarHBondContact O-N 3Å |
| 355 | R | 97.9 | Very high | 97.5 | Very high | 95 Ų | 95 | 30.1 Ų | 30.1 | 36% | 0.358 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67 | -34.1 | 176.8 | -67 | 179.7 | 71.7 | -166.7 | 2.3 | 112.4 | L350 D352 K353 R359 | L350-R355 HydrophobicContact CD1-CB 3.75Å; D352-R355 HydrophobicContact CB-CB 4.34Å; D352-R355 HydrophobicContact CB-CG 4.28Å; D352-R355 PolarHBondContact O-N 3.36Å; D352-R355 WeakPolarHBondContact OD2-CG 3.42Å; K353-R355 PolarHBondContact O-N 3.13Å; R355-R359 WeakPolarHBondContact O-CB 3.41Å; R355-R359 PolarHBondContact O-N 3.45Å |
| 356 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -50.1 | 173.9 | -61.3 | 164.3 | 0 | 0 | 0 | 109.6 | L350 D352 K353 N354 E358 R359 L360 I624 A689 Q690 I704 | L350-I356 HydrophobicContact CB-CD1 4.2Å; L350-I356 HydrophobicContact CB-CG1 3.6Å; L350-I356 HydrophobicContact CD1-CG1 3.97Å; L350-I356 HydrophobicContact CG-CG1 4.44Å; D352-I356 WeakPolarHBondContact O-CG1 3.43Å; D352-I356 PolarHBondContact O-N 2.99Å; D352-I356 VanDerWaalsContact O-N 3.14Å; K353-I356 PolarHBondContact O-N 2.86Å; N354-I356 VanDerWaalsContact C-N 3.33Å; N354-I356 PolarHBondContact O-N 3.5Å; I356-E358 PolarHBondContact O-N 3.43Å; I356-R359 PolarHBondContact O-N 2.67Å; I356-L360 HydrophobicContact CG2-CD1 3.86Å; I356-L360 HydrophobicContact CG2-CG 4.29Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 WeakPolarHBondContact O-CG 3.22Å; I356-L360 PolarHBondContact O-N 2.95Å; I356-I624 HydrophobicContact CD1-CG2 4.22Å; I356-I624 HydrophobicContact CG2-CD1 3.89Å; I356-I624 HydrophobicContact CG2-CG1 3.68Å; I356-I624 HydrophobicContact CG2-CG2 4.46Å; I356-A689 WeakPolarHBondContact CG2-O 3.3Å; I356-Q690 HydrophobicContact CD1-CB 4.47Å; I356-Q690 HydrophobicContact CD1-CG 4.04Å; I356-I704 HydrophobicContact CD1-CD1 4.15Å; I356-I704 HydrophobicContact CD1-CG1 4.02Å |
| 357 | E | 98 | Very high | 97.6 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 20% | 0.201 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | -179.4 | -70.8 | -70.2 | -177.5 | 0 | 0 | 112.3 | K353 N354 L360 N361 R621 | K353-E357 HydrophobicContact CG-CG 4.16Å; K353-E357 WeakPolarHBondContact O-CG 3.41Å; K353-E357 PolarHBondContact O-N 2.88Å; N354-E357 PolarHBondContact O-N 2.9Å; E357-L360 PolarHBondContact O-N 3.44Å; E357-N361 WeakPolarHBondContact O-CB 3.4Å; E357-N361 PolarHBondContact O-N 3Å; E357-N361 PolarHBondContact O-ND2 3.1Å; E357-R621 IonicContact OE2-CZ 3.58Å; E357-R621 IonicContact OE2-NE 2.95Å; E357-R621 IonicContact OE2-NH2 3.09Å; E357-R621 PolarHBondContact OE2-NH2 3.13Å |
| 358 | E | 97.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 35% | 0.346 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 173.3 | -173.6 | -172.2 | 160.5 | 0 | 0 | 110.9 | N354 I356 L360 N361 L362 L431 | N354-E358 WeakPolarHBondContact O-CB 3.27Å; N354-E358 PolarHBondContact O-N 3Å; I356-E358 PolarHBondContact O-N 3.43Å; E358-L360 PolarHBondContact O-N 3.39Å; E358-N361 WeakPolarHBondContact O-CB 3.37Å; E358-N361 PolarHBondContact O-N 2.91Å; E358-L362 WeakPolarHBondContact O-CG 3.3Å; E358-L362 PolarHBondContact O-N 3.33Å; E358-L431 HydrophobicContact CG-CD1 4.2Å; E358-L431 HydrophobicContact CG-CD2 4.37Å |
| 359 | R | 98.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 179.6 | -162.7 | -179.4 | -71.8 | 169.1 | -1.8 | 112 | W345 R355 I356 L362 V363 V605 I691 | W345-R359 HydrophobicContact CH2-CG 4.26Å; W345-R359 HydrophobicContact CZ3-CG 4.15Å; R355-R359 WeakPolarHBondContact O-CB 3.41Å; R355-R359 PolarHBondContact O-N 3.45Å; I356-R359 PolarHBondContact O-N 2.67Å; R359-L362 PolarHBondContact O-N 2.98Å; R359-V363 WeakPolarHBondContact O-CG2 3.48Å; R359-V363 PolarHBondContact O-N 3.38Å; R359-V605 HydrophobicContact CG-CG1 4.33Å; R359-I691 WeakPolarHBondContact CD-O 3.45Å; R359-I691 PolarHBondContact NH1-O 2.88Å |
| 360 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 173.4 | -74 | 173.4 | 0 | 0 | 0 | 112.3 | I356 E357 E358 V363 E364 P622 I624 F694 | I356-L360 HydrophobicContact CG2-CD1 3.86Å; I356-L360 HydrophobicContact CG2-CG 4.29Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 WeakPolarHBondContact O-CG 3.22Å; I356-L360 PolarHBondContact O-N 2.95Å; E357-L360 PolarHBondContact O-N 3.44Å; E358-L360 PolarHBondContact O-N 3.39Å; L360-V363 PolarHBondContact O-N 3.15Å; L360-E364 WeakPolarHBondContact O-CB 3.45Å; L360-E364 PolarHBondContact O-N 3.41Å; L360-P622 HydrophobicContact CD1-CG 4.14Å; L360-P622 HydrophobicContact CD2-CG 4.2Å; L360-I624 HydrophobicContact CD1-CD1 4.16Å; L360-I624 HydrophobicContact CD1-CG1 3.71Å; L360-F694 HydrophobicContact CD2-CD1 4.03Å; L360-F694 HydrophobicContact CD2-CE1 4.33Å |
| 361 | N | 98.1 | Very high | 97.4 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.3 | -71.1 | -33.7 | 0 | 0 | 0 | 111.5 | E357 E358 E364 A365 H428 L431 R621 | E357-N361 WeakPolarHBondContact O-CB 3.4Å; E357-N361 PolarHBondContact O-N 3Å; E357-N361 PolarHBondContact O-ND2 3.1Å; E358-N361 WeakPolarHBondContact O-CB 3.37Å; E358-N361 PolarHBondContact O-N 2.91Å; N361-E364 PolarHBondContact O-N 2.95Å; N361-A365 PolarHBondContact O-N 2.9Å; N361-A365 VanDerWaalsContact O-N 3.07Å; N361-H428 PolarHBondContact O-CD2 3.47Å; N361-H428 PolarHBondContact OD1-CE1 3.45Å; N361-H428 VanDerWaalsContact OD1-CE1 3.29Å; N361-L431 HydrophobicContact CB-CD2 3.61Å; N361-R621 VanDerWaalsContact OD1-CZ 3.31Å; N361-R621 PolarHBondContact OD1-NH1 2.87Å; N361-R621 PolarHBondContact OD1-NH2 3.08Å |
| 362 | L | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.4 | -64.4 | 176.8 | 0 | 0 | 0 | 111 | E358 R359 A365 F366 L431 L432 V435 F436 V605 | E358-L362 WeakPolarHBondContact O-CG 3.3Å; E358-L362 PolarHBondContact O-N 3.33Å; R359-L362 PolarHBondContact O-N 2.98Å; L362-A365 WeakPolarHBondContact O-CB 3.41Å; L362-A365 PolarHBondContact O-N 3.02Å; L362-F366 WeakPolarHBondContact O-CD2 3.38Å; L362-F366 PolarHBondContact O-N 3.14Å; L362-L431 HydrophobicContact CD2-CD2 3.84Å; L362-L431 HydrophobicContact CD2-CG 3.91Å; L362-L431 HydrophobicContact CG-CD2 4.2Å; L362-L432 HydrophobicContact CD2-CD2 3.96Å; L362-V435 HydrophobicContact CD1-CG1 4.38Å; L362-F436 HydrophobicContact CD1-CE2 4.12Å; L362-F436 HydrophobicContact CD1-CZ 4.07Å; L362-F436 HydrophobicContact CD2-CD2 4.43Å; L362-F436 HydrophobicContact CD2-CE2 3.8Å; L362-F436 HydrophobicContact CG-CE2 4.45Å; L362-V605 HydrophobicContact CB-CB 4.28Å; L362-V605 HydrophobicContact CB-CG1 4.01Å; L362-V605 HydrophobicContact CB-CG2 4.38Å; L362-V605 HydrophobicContact CD1-CG1 4.24Å |
| 363 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | R359 L360 A365 F366 V367 V605 F608 A609 F694 | R359-V363 WeakPolarHBondContact O-CG2 3.48Å; R359-V363 PolarHBondContact O-N 3.38Å; L360-V363 PolarHBondContact O-N 3.15Å; V363-A365 VanDerWaalsContact C-N 3.27Å; V363-A365 PolarHBondContact O-N 3.39Å; V363-F366 PolarHBondContact O-N 3.38Å; V363-F366 VanDerWaalsContact O-N 3.16Å; V363-V367 HydrophobicContact CG1-CG2 4.11Å; V363-V367 WeakPolarHBondContact O-CG2 3.25Å; V363-V367 PolarHBondContact O-N 3.07Å; V363-V605 HydrophobicContact CG2-CB 4.15Å; V363-V605 HydrophobicContact CG2-CG1 4.35Å; V363-F608 HydrophobicContact CG1-CB 4.27Å; V363-F608 HydrophobicContact CG2-CB 3.87Å; V363-F608 HydrophobicContact CG2-CD2 4.12Å; V363-A609 HydrophobicContact CG1-CB 4.27Å; V363-F694 HydrophobicContact CB-CE1 4.35Å; V363-F694 HydrophobicContact CG1-CD1 3.91Å; V363-F694 HydrophobicContact CG1-CE1 3.99Å; V363-F694 HydrophobicContact CG1-CG 4.36Å |
| 364 | E | 97.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -42.3 | 177.5 | -174.5 | 169 | -88.7 | 0 | 0 | 111.4 | L360 N361 F366 V367 E368 K427 H428 R621 F694 | L360-E364 WeakPolarHBondContact O-CB 3.45Å; L360-E364 PolarHBondContact O-N 3.41Å; N361-E364 PolarHBondContact O-N 2.95Å; E364-F366 PolarHBondContact O-N 3.04Å; E364-V367 PolarHBondContact O-N 2.89Å; E364-E368 HydrophobicContact CG-CG 4.42Å; E364-E368 WeakPolarHBondContact O-CG 3.35Å; E364-E368 PolarHBondContact O-N 3.45Å; E364-K427 IonicContact OE2-NZ 2.81Å; E364-H428 IonicContact OE2-CD2 2.76Å; E364-H428 IonicContact OE2-CE1 3.58Å; E364-H428 PolarHBondContact OE2-CE1 2.79Å; E364-H428 IonicContact OE2-NE2 2.9Å; E364-H428 PolarHBondContact OE2-NE2 3.05Å; E364-R621 WeakPolarHBondContact OE1-CD 3.28Å; E364-R621 IonicContact OE1-CZ 2.74Å; E364-R621 IonicContact OE1-NE 3.99Å; E364-R621 IonicContact OE1-NH1 3.33Å; E364-R621 PolarHBondContact OE1-NH1 3.47Å; E364-R621 IonicContact OE2-NH1 2.9Å; E364-R621 PolarHBondContact OE2-NH1 2.91Å; E364-F694 HydrophobicContact CB-CE1 4.3Å; E364-F694 HydrophobicContact CB-CZ 3.85Å; E364-F694 HydrophobicContact CG-CZ 4.26Å |
| 365 | A | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | N361 L362 V363 D369 H428 L432 | N361-A365 PolarHBondContact O-N 2.9Å; N361-A365 VanDerWaalsContact O-N 3.07Å; L362-A365 WeakPolarHBondContact O-CB 3.41Å; L362-A365 PolarHBondContact O-N 3.02Å; V363-A365 VanDerWaalsContact C-N 3.27Å; V363-A365 PolarHBondContact O-N 3.39Å; A365-D369 WeakPolarHBondContact O-CB 3.13Å; A365-D369 PolarHBondContact O-N 3.13Å; A365-H428 HydrophobicContact CB-CB 3.84Å; A365-L432 HydrophobicContact CB-CD1 3.86Å; A365-L432 HydrophobicContact CB-CD2 4.39Å; A365-L432 HydrophobicContact CB-CG 4.27Å |
| 366 | F | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -81.1 | -15.2 | 177.9 | -63.4 | -71 | 0 | 0 | 0 | 113.8 | L362 V363 E364 L372 R373 L376 L421 L432 F436 L602 V605 V606 A609 | L362-F366 WeakPolarHBondContact O-CD2 3.38Å; L362-F366 PolarHBondContact O-N 3.14Å; V363-F366 PolarHBondContact O-N 3.38Å; V363-F366 VanDerWaalsContact O-N 3.16Å; E364-F366 PolarHBondContact O-N 3.04Å; F366-L372 HydrophobicContact CD1-CD2 3.74Å; F366-L372 HydrophobicContact CD1-CG 3.88Å; F366-L372 HydrophobicContact CE1-CD1 4.5Å; F366-L372 HydrophobicContact CE1-CD2 3.48Å; F366-L372 VanDerWaalsContact CE1-CD2 3.48Å; F366-L372 HydrophobicContact CE1-CG 3.75Å; F366-L372 HydrophobicContact CZ-CD2 4.49Å; F366-R373 HydrophobicContact CB-CB 4.45Å; F366-R373 WeakPolarHBondContact O-CB 3.23Å; F366-R373 WeakPolarHBondContact O-CD 3.24Å; F366-R373 PolarHBondContact O-NH1 3.45Å; F366-L376 HydrophobicContact CD1-CD1 4.27Å; F366-L376 HydrophobicContact CE1-CD1 3.53Å; F366-L376 HydrophobicContact CZ-CD1 4.3Å; F366-L421 HydrophobicContact CE1-CD2 4.33Å; F366-L421 HydrophobicContact CZ-CD2 4.2Å; F366-L432 HydrophobicContact CE2-CD2 3.97Å; F366-L432 HydrophobicContact CZ-CD2 3.87Å; F366-F436 HydrophobicContact CE2-CE2 4.31Å; F366-F436 HydrophobicContact CZ-CE2 4.46Å; F366-L602 HydrophobicContact CE1-CD1 4.23Å; F366-L602 HydrophobicContact CE2-CD1 4.17Å; F366-L602 HydrophobicContact CZ-CD1 3.5Å; F366-L602 VanDerWaalsContact CZ-CD1 3.5Å; F366-V605 HydrophobicContact CD2-CB 4.44Å; F366-V605 HydrophobicContact CD2-CG2 3.85Å; F366-V605 HydrophobicContact CE2-CB 4.48Å; F366-V605 HydrophobicContact CE2-CG2 3.48Å; F366-V605 VanDerWaalsContact CE2-CG2 3.48Å; F366-V605 HydrophobicContact CZ-CG2 4.45Å; F366-V606 HydrophobicContact CD1-CG2 3.97Å; F366-V606 HydrophobicContact CD2-CG2 4.27Å; F366-V606 HydrophobicContact CE1-CG2 3.98Å; F366-V606 HydrophobicContact CE2-CG2 4.32Å; F366-V606 HydrophobicContact CG-CG2 4.13Å; F366-V606 HydrophobicContact CZ-CG2 4.17Å; F366-A609 HydrophobicContact CB-CB 3.52Å |
| 367 | V | 96.2 | Very high | 96.9 | Very high | 35 Ų | 35 | 34.9 Ų | 34.9 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -78.5 | -43 | 171.1 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | V363 E364 A609 F694 | V363-V367 HydrophobicContact CG1-CG2 4.11Å; V363-V367 WeakPolarHBondContact O-CG2 3.25Å; V363-V367 PolarHBondContact O-N 3.07Å; E364-V367 PolarHBondContact O-N 2.89Å; V367-A609 HydrophobicContact CG2-CB 3.72Å; V367-F694 HydrophobicContact CB-CE2 4.25Å; V367-F694 HydrophobicContact CG1-CE2 4.17Å; V367-F694 HydrophobicContact CG2-CD2 4.31Å; V367-F694 HydrophobicContact CG2-CE2 4.01Å |
| 368 | E | 95.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 38 Ų | 38 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -72.2 | -32.9 | 178.7 | -68.5 | 179.7 | 172.8 | 0 | 0 | 112.6 | E364 | E364-E368 HydrophobicContact CG-CG 4.42Å; E364-E368 WeakPolarHBondContact O-CG 3.35Å; E364-E368 PolarHBondContact O-N 3.45Å |
| 369 | D | 96.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -104.2 | 91.9 | 177.1 | -167.9 | -22.5 | 0 | 0 | 0 | 112.3 | A365 E371 L372 R373 H424 | A365-D369 WeakPolarHBondContact O-CB 3.13Å; A365-D369 PolarHBondContact O-N 3.13Å; D369-E371 PolarHBondContact OD1-N 3.18Å; D369-L372 HydrophobicContact CB-CB 4.07Å; D369-L372 WeakPolarHBondContact OD1-CB 3.46Å; D369-L372 PolarHBondContact OD1-N 3.23Å; D369-R373 WeakPolarHBondContact O-CB 3.41Å; D369-R373 PolarHBondContact O-N 3.4Å; D369-H424 WeakPolarHBondContact CB-ND1 3.37Å; D369-H424 IonicContact OD2-CE1 2.65Å; D369-H424 IonicContact OD2-CG 3.81Å; D369-H424 IonicContact OD2-ND1 3.36Å; D369-H424 PolarHBondContact OD2-ND1 2.85Å | ||
| 370 | A | 95.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69 | -34.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R373 Q374 | A370-R373 PolarHBondContact O-N 2.93Å; A370-Q374 WeakPolarHBondContact O-CB 3.46Å; A370-Q374 VanDerWaalsContact O-CG 3.3Å; A370-Q374 WeakPolarHBondContact O-CG 3.47Å; A370-Q374 PolarHBondContact O-N 3.42Å |
| 371 | E | 95.6 | Very high | 96.4 | Very high | 138 Ų | 138 | 37.3 Ų | 37.3 | 65% | 0.645 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.6 | -48 | -179.1 | -178.2 | -179.9 | 165.7 | 0 | 0 | 110.1 | D369 R373 Q374 T375 | D369-E371 PolarHBondContact OD1-N 3.18Å; E371-R373 PolarHBondContact O-N 3.42Å; E371-Q374 PolarHBondContact O-N 2.9Å; E371-T375 VanDerWaalsContact O-CB 3.32Å; E371-T375 WeakPolarHBondContact O-CB 3.37Å; E371-T375 PolarHBondContact O-N 2.78Å; E371-T375 PolarHBondContact O-OG1 2.85Å |
| 372 | L | 96.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 175.3 | 176.7 | 59.9 | 0 | 0 | 0 | 111.3 | F366 D369 T375 L376 A420 L421 H424 | F366-L372 HydrophobicContact CD1-CD2 3.74Å; F366-L372 HydrophobicContact CD1-CG 3.88Å; F366-L372 HydrophobicContact CE1-CD1 4.5Å; F366-L372 HydrophobicContact CE1-CD2 3.48Å; F366-L372 VanDerWaalsContact CE1-CD2 3.48Å; F366-L372 HydrophobicContact CE1-CG 3.75Å; F366-L372 HydrophobicContact CZ-CD2 4.49Å; D369-L372 HydrophobicContact CB-CB 4.07Å; D369-L372 WeakPolarHBondContact OD1-CB 3.46Å; D369-L372 PolarHBondContact OD1-N 3.23Å; L372-T375 PolarHBondContact O-N 3.25Å; L372-L376 HydrophobicContact CD1-CD1 3.68Å; L372-L376 HydrophobicContact CD1-CG 4.04Å; L372-L376 HydrophobicContact CG-CD1 4Å; L372-L376 WeakPolarHBondContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 3.28Å; L372-A420 HydrophobicContact CD1-CB 3.99Å; L372-A420 WeakPolarHBondContact CD1-O 3.34Å; L372-L421 HydrophobicContact CD1-CD2 4.43Å; L372-H424 HydrophobicContact CD2-CB 4.1Å |
| 373 | R | 96.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.038 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | -179.5 | -179 | -176.1 | 61.7 | -152 | -0.3 | 112 | F366 D369 A370 E371 L376 Q377 V606 N613 | F366-R373 HydrophobicContact CB-CB 4.45Å; F366-R373 WeakPolarHBondContact O-CB 3.23Å; F366-R373 WeakPolarHBondContact O-CD 3.24Å; F366-R373 PolarHBondContact O-NH1 3.45Å; D369-R373 WeakPolarHBondContact O-CB 3.41Å; D369-R373 PolarHBondContact O-N 3.4Å; A370-R373 PolarHBondContact O-N 2.93Å; E371-R373 PolarHBondContact O-N 3.42Å; R373-L376 PolarHBondContact O-N 2.96Å; R373-Q377 WeakPolarHBondContact O-CB 3.36Å; R373-Q377 PolarHBondContact O-N 3.08Å; R373-V606 HydrophobicContact CG-CG1 4.35Å; R373-N613 VanDerWaalsContact NH1-CG 3.29Å; R373-N613 PolarHBondContact NH1-OD1 2.72Å; R373-N613 PolarHBondContact NH2-ND2 3.42Å; R373-N613 PolarHBondContact NH2-OD1 3.23Å |
| 374 | Q | 95.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | -178.9 | -74.1 | 173.4 | -6.7 | 0 | 0 | 111.3 | A370 E371 L376 Q377 E378 | A370-Q374 WeakPolarHBondContact O-CB 3.46Å; A370-Q374 VanDerWaalsContact O-CG 3.3Å; A370-Q374 WeakPolarHBondContact O-CG 3.47Å; A370-Q374 PolarHBondContact O-N 3.42Å; E371-Q374 PolarHBondContact O-N 2.9Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 3.27Å; Q374-Q377 PolarHBondContact O-N 3.37Å; Q374-E378 WeakPolarHBondContact O-CB 3.22Å; Q374-E378 PolarHBondContact O-N 3.02Å |
| 375 | T | 97.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -58.4 | -46.1 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | E371 L372 D379 L380 A420 | E371-T375 VanDerWaalsContact O-CB 3.32Å; E371-T375 WeakPolarHBondContact O-CB 3.37Å; E371-T375 PolarHBondContact O-N 2.78Å; E371-T375 PolarHBondContact O-OG1 2.85Å; L372-T375 PolarHBondContact O-N 3.25Å; T375-D379 VanDerWaalsContact O-CB 3.32Å; T375-D379 WeakPolarHBondContact O-CB 3.26Å; T375-D379 PolarHBondContact O-N 3.06Å; T375-L380 HydrophobicContact CG2-CD1 3.97Å; T375-L380 HydrophobicContact CG2-CG 4.26Å; T375-L380 PolarHBondContact O-N 3.47Å; T375-L380 VanDerWaalsContact O-N 3.08Å; T375-A420 HydrophobicContact CG2-CB 4.45Å |
| 376 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -66.9 | -47.9 | 178 | -71.8 | 173.6 | 0 | 0 | 0 | 111.5 | F366 L372 R373 Q374 L380 L381 V417 L421 L602 V606 | F366-L376 HydrophobicContact CD1-CD1 4.27Å; F366-L376 HydrophobicContact CE1-CD1 3.53Å; F366-L376 HydrophobicContact CZ-CD1 4.3Å; L372-L376 HydrophobicContact CD1-CD1 3.68Å; L372-L376 HydrophobicContact CD1-CG 4.04Å; L372-L376 HydrophobicContact CG-CD1 4Å; L372-L376 WeakPolarHBondContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 3.28Å; R373-L376 PolarHBondContact O-N 2.96Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 3.27Å; L376-L380 HydrophobicContact CD2-CD1 4.17Å; L376-L380 PolarHBondContact O-N 3.26Å; L376-L381 HydrophobicContact CB-CD1 4.17Å; L376-L381 HydrophobicContact CB-CG 4.37Å; L376-L381 VanDerWaalsContact O-CB 3.22Å; L376-L381 WeakPolarHBondContact O-CB 3.43Å; L376-L381 WeakPolarHBondContact O-CG 3.36Å; L376-L381 PolarHBondContact O-N 2.95Å; L376-V417 HydrophobicContact CD2-CG1 4.01Å; L376-V417 HydrophobicContact CD2-CG2 4.39Å; L376-L421 HydrophobicContact CD1-CD2 4.44Å; L376-L602 HydrophobicContact CD1-CD1 4.18Å; L376-L602 HydrophobicContact CD2-CD2 4.46Å; L376-V606 HydrophobicContact CB-CG2 4.41Å; L376-V606 HydrophobicContact CD1-CG2 4.07Å |
| 377 | Q | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -77.4 | -37.6 | -170.2 | -169.2 | 165.5 | 19.1 | 0 | 0 | 114.5 | K334 R373 Q374 V606 H610 | K334-Q377 WeakPolarHBondContact CE-O 3.11Å; K334-Q377 HydrophobicContact CG-CG 4.22Å; K334-Q377 WeakPolarHBondContact CG-O 3.46Å; R373-Q377 WeakPolarHBondContact O-CB 3.36Å; R373-Q377 PolarHBondContact O-N 3.08Å; Q374-Q377 PolarHBondContact O-N 3.37Å; Q377-V606 HydrophobicContact CB-CG1 3.74Å; Q377-V606 HydrophobicContact CG-CG1 4.19Å; Q377-H610 VanDerWaalsContact CD-CG 3.43Å; Q377-H610 VanDerWaalsContact NE2-CB 3.29Å; Q377-H610 PolarHBondContact NE2-CD2 3.08Å; Q377-H610 VanDerWaalsContact NE2-CD2 3.31Å; Q377-H610 PolarHBondContact OE1-ND1 3.41Å |
| 378 | E | 93.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -96.1 | -29.9 | -176.6 | -64.7 | -173.9 | -177.9 | 0 | 0 | 111.6 | Q374 R382 | Q374-E378 WeakPolarHBondContact O-CB 3.22Å; Q374-E378 PolarHBondContact O-N 3.02Å; E378-R382 WeakPolarHBondContact O-CD 3.46Å; E378-R382 PolarHBondContact O-NE 2.65Å; E378-R382 PolarHBondContact O-NH2 2.99Å |
| 379 | D | 94.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -106.5 | -51.6 | -172.4 | -63.4 | -46.9 | 0 | 0 | 0 | 114.8 | T375 R382 R383 | T375-D379 VanDerWaalsContact O-CB 3.32Å; T375-D379 WeakPolarHBondContact O-CB 3.26Å; T375-D379 PolarHBondContact O-N 3.06Å; D379-R382 IonicContact OD1-NH2 3.7Å; D379-R382 PolarHBondContact OD1-NH2 3.29Å; D379-R383 WeakPolarHBondContact O-CD 3.4Å; D379-R383 WeakPolarHBondContact O-CG 3.43Å; D379-R383 PolarHBondContact O-NE 3.38Å |
| 380 | L | 97 | Very high | 93.7 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -93.1 | -50.2 | -165.8 | -60.1 | 179.8 | 0 | 0 | 0 | 114 | T375 L376 R382 R383 N416 V417 A420 | T375-L380 HydrophobicContact CG2-CD1 3.97Å; T375-L380 HydrophobicContact CG2-CG 4.26Å; T375-L380 PolarHBondContact O-N 3.47Å; T375-L380 VanDerWaalsContact O-N 3.08Å; L376-L380 HydrophobicContact CD2-CD1 4.17Å; L376-L380 PolarHBondContact O-N 3.26Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3Å; L380-R383 VanDerWaalsContact O-CB 3.32Å; L380-R383 WeakPolarHBondContact O-CB 3.25Å; L380-R383 PolarHBondContact O-N 3.37Å; L380-N416 HydrophobicContact CD1-CB 4.16Å; L380-N416 HydrophobicContact CD2-CB 3.76Å; L380-V417 HydrophobicContact CB-CG2 4.05Å; L380-V417 HydrophobicContact CD1-CG2 3.98Å; L380-A420 HydrophobicContact CD1-CB 4.3Å |
| 381 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60.2 | -39.6 | -171.6 | -74.2 | 170.1 | 0 | 0 | 0 | 112.5 | K334 T335 L376 R383 F384 L602 D603 V606 | K334-L381 HydrophobicContact CB-CB 4Å; K334-L381 HydrophobicContact CG-CB 4.44Å; T335-L381 HydrophobicContact CG2-CB 4.45Å; T335-L381 WeakPolarHBondContact CG2-O 3.5Å; L376-L381 HydrophobicContact CB-CD1 4.17Å; L376-L381 HydrophobicContact CB-CG 4.37Å; L376-L381 VanDerWaalsContact O-CB 3.22Å; L376-L381 WeakPolarHBondContact O-CB 3.43Å; L376-L381 WeakPolarHBondContact O-CG 3.36Å; L376-L381 PolarHBondContact O-N 2.95Å; L381-R383 PolarHBondContact O-N 3.5Å; L381-F384 PolarHBondContact O-N 3.15Å; L381-F384 VanDerWaalsContact O-N 3.17Å; L381-L602 HydrophobicContact CD2-CD2 4.36Å; L381-D603 HydrophobicContact CD1-CB 4.17Å; L381-D603 HydrophobicContact CD2-CB 4.25Å; L381-V606 HydrophobicContact CD1-CB 4.32Å; L381-V606 HydrophobicContact CD1-CG1 4.15Å; L381-V606 HydrophobicContact CD1-CG2 4.47Å |
| 382 | R | 94.5 | Very high | 93 | Very high | 157 Ų | 157 | 37.1 Ų | 37.1 | 59% | 0.592 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -62 | -13.1 | 177.8 | 66.5 | 172.3 | 175.1 | -168.8 | -15.3 | 114.7 | K334 E378 D379 L380 | K334-R382 HydrophobicContact CB-CB 4.32Å; E378-R382 WeakPolarHBondContact O-CD 3.46Å; E378-R382 PolarHBondContact O-NE 2.65Å; E378-R382 PolarHBondContact O-NH2 2.99Å; D379-R382 IonicContact OD1-NH2 3.7Å; D379-R382 PolarHBondContact OD1-NH2 3.29Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3Å |
| 383 | R | 94.9 | Very high | 92.5 | Very high | 115 Ų | 115 | 39.2 Ų | 39.2 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -86.7 | -14.2 | -179.3 | -58.5 | 179.5 | -175.4 | -174.2 | -4 | 112.7 | D379 L380 L381 Q413 | D379-R383 WeakPolarHBondContact O-CD 3.4Å; D379-R383 WeakPolarHBondContact O-CG 3.43Å; D379-R383 PolarHBondContact O-NE 3.38Å; L380-R383 VanDerWaalsContact O-CB 3.32Å; L380-R383 WeakPolarHBondContact O-CB 3.25Å; L380-R383 PolarHBondContact O-N 3.37Å; L381-R383 PolarHBondContact O-N 3.5Å; R383-Q413 HydrophobicContact CB-CG 3.91Å |
| 384 | F | 95.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | trans | -82.6 | 129.4 | 178.4 | -69.6 | -82.1 | 0 | 0 | 0 | 110.9 | T335 L381 G410 Q413 L414 V417 L599 | T335-F384 HydrophobicContact CG2-CB 4.31Å; L381-F384 PolarHBondContact O-N 3.15Å; L381-F384 VanDerWaalsContact O-N 3.17Å; F384-G410 WeakPolarHBondContact CE1-O 3.36Å; F384-Q413 HydrophobicContact CE1-CB 4.15Å; F384-Q413 HydrophobicContact CE2-CB 4.05Å; F384-Q413 HydrophobicContact CZ-CB 3.61Å; F384-L414 HydrophobicContact CE1-CD1 3.42Å; F384-L414 VanDerWaalsContact CE1-CD1 3.42Å; F384-L414 HydrophobicContact CZ-CD1 3.88Å; F384-V417 HydrophobicContact CE2-CG2 3.68Å; F384-V417 HydrophobicContact CZ-CG2 3.8Å; F384-L599 HydrophobicContact CB-CD1 4.18Å; F384-L599 HydrophobicContact CD1-CD1 3.49Å; F384-L599 VanDerWaalsContact CD1-CD1 3.49Å; F384-L599 HydrophobicContact CD2-CD1 4.37Å; F384-L599 HydrophobicContact CE1-CD1 3.91Å; F384-L599 HydrophobicContact CE2-CD2 4.38Å; F384-L599 HydrophobicContact CG-CD1 3.74Å; F384-L599 HydrophobicContact CZ-CD2 4.37Å | ||
| 385 | P | 92.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | trans | -73.6 | 174.1 | 172.9 | 32.8 | -35 | 0 | 0 | 0 | 111.3 | Q337 L387 L390 | Q337-P385 PolarHBondContact NE2-O 3.34Å; Q337-P385 PolarHBondContact OE1-O 2.99Å; P385-L387 HydrophobicContact CG-CD2 4.13Å; P385-L387 PolarHBondContact O-N 3.05Å; P385-L387 VanDerWaalsContact O-N 3.09Å; P385-L390 HydrophobicContact CG-CD2 4.2Å | ||
| 386 | D | 89.9 | Confident | 91.2 | Very high | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.139 | 16% | 0.16 | C | C | . | . | trans | -71.2 | 99.7 | 168.6 | -171 | -25.3 | 0 | 0 | 0 | 110.2 | P336 R340 N388 R389 L390 | P336-D386 HydrophobicContact CB-CB 4.26Å; P336-D386 HydrophobicContact CG-CB 4.16Å; R340-D386 IonicContact CZ-OD1 3.27Å; R340-D386 IonicContact CZ-OD2 3.38Å; R340-D386 IonicContact NH1-OD1 3.66Å; R340-D386 IonicContact NH1-OD2 2.81Å; R340-D386 PolarHBondContact NH1-OD2 2.66Å; R340-D386 IonicContact NH2-OD1 3Å; R340-D386 PolarHBondContact NH2-OD1 3.39Å; R340-D386 IonicContact NH2-OD2 2.88Å; R340-D386 PolarHBondContact NH2-OD2 3.19Å; R340-D386 VanDerWaalsContact NH2-OD2 3.08Å; D386-N388 PolarHBondContact OD1-N 3.39Å; D386-R389 HydrophobicContact CB-CB 4.04Å; D386-R389 PolarHBondContact OD1-N 3.23Å; D386-L390 VanDerWaalsContact O-CB 3.31Å; D386-L390 WeakPolarHBondContact O-CB 3.46Å; D386-L390 PolarHBondContact O-N 3.17Å | ||
| 387 | L | 91.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | -171.8 | -68.5 | 177.9 | 0 | 0 | 0 | 112.7 | P385 R389 L390 A391 L407 L595 N596 L599 | P385-L387 HydrophobicContact CG-CD2 4.13Å; P385-L387 PolarHBondContact O-N 3.05Å; P385-L387 VanDerWaalsContact O-N 3.09Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 3.3Å; L387-L390 PolarHBondContact O-N 3.27Å; L387-A391 WeakPolarHBondContact O-CB 3.4Å; L387-A391 PolarHBondContact O-N 2.64Å; L387-L407 HydrophobicContact CD2-CD1 4Å; L387-L595 HydrophobicContact CD1-CB 3.92Å; L387-L595 HydrophobicContact CD1-CD2 3.61Å; L387-L595 HydrophobicContact CD1-CG 3.53Å; L387-N596 HydrophobicContact CB-CB 3.91Å; L387-N596 HydrophobicContact CD1-CB 4.49Å; L387-L599 HydrophobicContact CD1-CD1 3.87Å |
| 388 | N | 85.8 | Confident | 90.2 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 177.7 | -82.5 | -1.2 | 0 | 0 | 0 | 112 | I169 D386 K392 N596 | I169-N388 HydrophobicContact CG2-CB 4.14Å; D386-N388 PolarHBondContact OD1-N 3.39Å; N388-K392 WeakPolarHBondContact O-CB 3.41Å; N388-K392 PolarHBondContact O-N 3.35Å; N388-N596 PolarHBondContact N-OD1 3.31Å; N388-N596 PolarHBondContact ND2-ND2 3.03Å; N388-N596 VanDerWaalsContact ND2-ND2 3.14Å; N388-N596 VanDerWaalsContact OD1-CB 3.28Å; N388-N596 WeakPolarHBondContact OD1-CB 3.5Å; N388-N596 VanDerWaalsContact OD1-CG 3.29Å |
| 389 | R | 85.1 | Confident | 90 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 175.2 | -174.9 | 176.3 | 176 | -173.4 | 1 | 111.9 | E132 D133 F136 D386 L387 K392 K393 | E132-R389 PolarHBondContact O-NH2 3.48Å; D133-R389 IonicContact OD1-NH2 2.94Å; F136-R389 PolarHBondContact O-NH1 2.84Å; D386-R389 HydrophobicContact CB-CB 4.04Å; D386-R389 PolarHBondContact OD1-N 3.23Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 3.3Å; R389-K392 WeakPolarHBondContact O-CB 3.37Å; R389-K392 PolarHBondContact O-N 3.37Å; R389-K393 PolarHBondContact O-N 3.25Å |
| 390 | L | 89.1 | Confident | 89.7 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 178 | -170.5 | 57 | 0 | 0 | 0 | 111.4 | P385 D386 L387 K392 K393 F394 D403 L407 | P385-L390 HydrophobicContact CG-CD2 4.2Å; D386-L390 VanDerWaalsContact O-CB 3.31Å; D386-L390 WeakPolarHBondContact O-CB 3.46Å; D386-L390 PolarHBondContact O-N 3.17Å; L387-L390 PolarHBondContact O-N 3.27Å; L390-K392 VanDerWaalsContact C-N 3.25Å; L390-K392 PolarHBondContact O-N 3.33Å; L390-K393 HydrophobicContact CD1-CD 4.5Å; L390-K393 WeakPolarHBondContact O-CB 3.41Å; L390-K393 PolarHBondContact O-N 3.18Å; L390-F394 HydrophobicContact CD1-CE2 4.08Å; L390-F394 HydrophobicContact CD2-CE2 4.49Å; L390-F394 HydrophobicContact CG-CD2 4.31Å; L390-F394 HydrophobicContact CG-CE2 3.83Å; L390-F394 VanDerWaalsContact O-CD2 3.25Å; L390-F394 WeakPolarHBondContact O-CD2 3.43Å; L390-F394 PolarHBondContact O-N 3.25Å; L390-D403 HydrophobicContact CD1-CB 3.72Å; L390-L407 HydrophobicContact CD2-CB 3.74Å; L390-L407 HydrophobicContact CD2-CD1 4.31Å |
| 391 | A | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L387 K393 F394 Q395 V589 M592 Q593 | L387-A391 WeakPolarHBondContact O-CB 3.4Å; L387-A391 PolarHBondContact O-N 2.64Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3Å; A391-F394 PolarHBondContact O-N 3.16Å; A391-Q395 WeakPolarHBondContact O-CB 3.22Å; A391-Q395 PolarHBondContact O-N 3.07Å; A391-V589 HydrophobicContact CB-CG1 4.3Å; A391-V589 HydrophobicContact CB-CG2 4.48Å; A391-M592 HydrophobicContact CB-CB 4.26Å; A391-M592 HydrophobicContact CB-CE 3.94Å; A391-M592 HydrophobicContact CB-SD 4.47Å; A391-Q593 HydrophobicContact CB-CG 4.49Å |
| 392 | K | 85.2 | Confident | 89.2 | Confident | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 174.9 | -176.7 | 173.1 | -176.7 | 175.4 | 0 | 113.1 | E132 N388 R389 L390 Q395 R396 | E132-K392 WeakPolarHBondContact OE2-CE 3.26Å; E132-K392 IonicContact OE2-NZ 2.64Å; E132-K392 PolarHBondContact OE2-NZ 2.87Å; N388-K392 WeakPolarHBondContact O-CB 3.41Å; N388-K392 PolarHBondContact O-N 3.35Å; R389-K392 WeakPolarHBondContact O-CB 3.37Å; R389-K392 PolarHBondContact O-N 3.37Å; L390-K392 VanDerWaalsContact C-N 3.25Å; L390-K392 PolarHBondContact O-N 3.33Å; K392-Q395 PolarHBondContact O-N 3.02Å; K392-R396 VanDerWaalsContact CE-CZ 3.47Å; K392-R396 WeakPolarHBondContact O-CG 3.41Å; K392-R396 PolarHBondContact O-N 3.21Å; K392-R396 VanDerWaalsContact O-N 3.11Å |
| 393 | K | 87.1 | Confident | 89.1 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 21% | 0.213 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 175.1 | -70.4 | -176.3 | 164.3 | -164.5 | 0 | 112.1 | R389 L390 A391 Q395 R396 Q397 A398 A399 D403 | R389-K393 PolarHBondContact O-N 3.25Å; L390-K393 HydrophobicContact CD1-CD 4.5Å; L390-K393 WeakPolarHBondContact O-CB 3.41Å; L390-K393 PolarHBondContact O-N 3.18Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3Å; K393-Q395 VanDerWaalsContact C-N 3.33Å; K393-R396 PolarHBondContact O-N 2.8Å; K393-Q397 PolarHBondContact O-N 2.85Å; K393-A398 PolarHBondContact O-N 3.45Å; K393-A398 VanDerWaalsContact O-N 3.11Å; K393-A399 HydrophobicContact CB-CB 4.07Å; K393-A399 PolarHBondContact O-N 2.83Å; K393-D403 WeakPolarHBondContact CD-OD2 3.19Å; K393-D403 VanDerWaalsContact NZ-CG 3.28Å; K393-D403 IonicContact NZ-OD1 3.85Å; K393-D403 PolarHBondContact NZ-OD1 3.39Å; K393-D403 IonicContact NZ-OD2 2.71Å; K393-D403 PolarHBondContact NZ-OD2 2.88Å |
| 394 | F | 89.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.7 | -74.4 | -68.5 | 0 | 0 | 0 | 111.4 | L390 A391 R396 Q397 A399 D403 L407 V582 S585 V589 M592 | L390-F394 HydrophobicContact CD1-CE2 4.08Å; L390-F394 HydrophobicContact CD2-CE2 4.49Å; L390-F394 HydrophobicContact CG-CD2 4.31Å; L390-F394 HydrophobicContact CG-CE2 3.83Å; L390-F394 VanDerWaalsContact O-CD2 3.25Å; L390-F394 WeakPolarHBondContact O-CD2 3.43Å; L390-F394 PolarHBondContact O-N 3.25Å; A391-F394 PolarHBondContact O-N 3.16Å; F394-R396 VanDerWaalsContact C-N 3.27Å; F394-R396 PolarHBondContact O-N 3.15Å; F394-Q397 PolarHBondContact O-N 2.92Å; F394-A399 HydrophobicContact CD1-CB 3.59Å; F394-A399 HydrophobicContact CE1-CB 3.64Å; F394-A399 HydrophobicContact CG-CB 4.06Å; F394-A399 HydrophobicContact CZ-CB 4.18Å; F394-D403 HydrophobicContact CZ-CB 4.48Å; F394-L407 HydrophobicContact CE2-CD2 3.92Å; F394-L407 HydrophobicContact CZ-CD2 4.28Å; F394-V582 HydrophobicContact CD1-CG1 4.17Å; F394-S585 VanDerWaalsContact CE1-CB 3.45Å; F394-V589 HydrophobicContact CB-CG2 4.14Å; F394-M592 HydrophobicContact CD2-CE 3.82Å; F394-M592 HydrophobicContact CD2-SD 4.34Å; F394-M592 HydrophobicContact CE2-CE 4.45Å; F394-M592 HydrophobicContact CE2-SD 4.47Å; F394-M592 HydrophobicContact CG-CE 4.42Å |
| 395 | Q | 86.6 | Confident | 89 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -35.7 | 177.3 | -171.7 | 58.1 | 32.2 | 0 | 0 | 113.1 | Q288 A391 K392 K393 Q397 | Q288-Q395 VanDerWaalsContact CD-CD 3.44Å; Q288-Q395 VanDerWaalsContact CD-NE2 3.29Å; Q288-Q395 HydrophobicContact CG-CG 4.31Å; A391-Q395 WeakPolarHBondContact O-CB 3.22Å; A391-Q395 PolarHBondContact O-N 3.07Å; K392-Q395 PolarHBondContact O-N 3.02Å; K393-Q395 VanDerWaalsContact C-N 3.33Å; Q395-Q397 PolarHBondContact O-N 2.88Å |
| 396 | R | 85 | Confident | 89.1 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.3 | 175.7 | -75.7 | 176.2 | 168.9 | -178.8 | -5.3 | 113.8 | S129 D282 S284 K392 K393 F394 A398 | S129-R396 PolarHBondContact O-NH1 3.08Å; S129-R396 PolarHBondContact O-NH2 3.32Å; D282-R396 IonicContact OD2-NE 3.56Å; D282-R396 IonicContact OD2-NH2 2.66Å; D282-R396 PolarHBondContact OD2-NH2 2.7Å; S284-R396 WeakPolarHBondContact OG-CG 3.49Å; K392-R396 VanDerWaalsContact CE-CZ 3.47Å; K392-R396 WeakPolarHBondContact O-CG 3.41Å; K392-R396 PolarHBondContact O-N 3.21Å; K392-R396 VanDerWaalsContact O-N 3.11Å; K393-R396 PolarHBondContact O-N 2.8Å; F394-R396 VanDerWaalsContact C-N 3.27Å; F394-R396 PolarHBondContact O-N 3.15Å; R396-A398 HydrophobicContact CB-CB 4.12Å; R396-A398 PolarHBondContact O-N 2.68Å; R396-A398 VanDerWaalsContact O-N 3.15Å |
| 397 | Q | 85.1 | Confident | 89.3 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.1 | -172.3 | -58.9 | -66 | -24.9 | 0 | 0 | 112.2 | K393 F394 Q395 S586 | K393-Q397 PolarHBondContact O-N 2.85Å; F394-Q397 PolarHBondContact O-N 2.92Å; Q395-Q397 PolarHBondContact O-N 2.88Å; Q397-S586 PolarHBondContact NE2-OG 3.28Å |
| 398 | A | 85.8 | Confident | 89.6 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | trans | -118.1 | 6.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K393 R396 | K393-A398 PolarHBondContact O-N 3.45Å; K393-A398 VanDerWaalsContact O-N 3.11Å; R396-A398 HydrophobicContact CB-CB 4.12Å; R396-A398 PolarHBondContact O-N 2.68Å; R396-A398 VanDerWaalsContact O-N 3.15Å | ||
| 399 | A | 89.2 | Confident | 90 | Very high | 13 Ų | 13 | 41 Ų | 41 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | trans | -73.6 | 154.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K393 F394 D403 V582 | K393-A399 HydrophobicContact CB-CB 4.07Å; K393-A399 PolarHBondContact O-N 2.83Å; F394-A399 HydrophobicContact CD1-CB 3.59Å; F394-A399 HydrophobicContact CE1-CB 3.64Å; F394-A399 HydrophobicContact CG-CB 4.06Å; F394-A399 HydrophobicContact CZ-CB 4.18Å; A399-D403 HydrophobicContact CB-CB 4.07Å; A399-V582 HydrophobicContact CB-CG1 4.08Å; A399-V582 WeakPolarHBondContact O-CG2 3.16Å | ||
| 400 | N | 89.1 | Confident | 90.5 | Very high | 69 Ų | 69 | 38.4 Ų | 38.4 | 37% | 0.369 | 19% | 0.186 | S | C | . | . | trans | -118 | -179.6 | 175.9 | 62.4 | 26.9 | 0 | 0 | 0 | 111.4 | Q402 D403 C404 | N400-Q402 PolarHBondContact O-N 3.22Å; N400-Q402 VanDerWaalsContact OD1-CB 3.3Å; N400-Q402 WeakPolarHBondContact OD1-CB 3.3Å; N400-Q402 PolarHBondContact OD1-N 2.94Å; N400-Q402 VanDerWaalsContact OD1-N 3.16Å; N400-D403 PolarHBondContact N-OD2 3.5Å; N400-D403 WeakPolarHBondContact O-CB 3.37Å; N400-D403 PolarHBondContact O-N 3.26Å; N400-D403 VanDerWaalsContact O-N 3.13Å; N400-D403 PolarHBondContact OD1-N 3.5Å; N400-D403 PolarHBondContact OD1-OD2 3.26Å; N400-C404 PolarHBondContact O-N 3.26Å; N400-C404 PolarHBondContact O-SG 3.43Å; N400-C404 VanDerWaalsContact O-SG 3.4Å | ||
| 401 | L | 90.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | -178.7 | -163.5 | 62 | 0 | 0 | 0 | 112.7 | C404 Y405 L458 F468 V470 V578 I581 | L401-C404 HydrophobicContact CD1-CB 4.43Å; L401-C404 WeakPolarHBondContact O-CB 3.12Å; L401-C404 PolarHBondContact O-N 3.02Å; L401-Y405 PolarHBondContact O-N 3.47Å; L401-L458 HydrophobicContact CD1-CD1 4.02Å; L401-L458 HydrophobicContact CD2-CD1 4.33Å; L401-L458 HydrophobicContact CD2-CG 4.21Å; L401-L458 HydrophobicContact CG-CD1 3.83Å; L401-L458 HydrophobicContact CG-CG 4.27Å; L401-F468 HydrophobicContact CB-CB 4.18Å; L401-F468 HydrophobicContact CD2-CB 4.38Å; L401-F468 HydrophobicContact CG-CB 4.36Å; L401-V470 HydrophobicContact CD2-CG2 4.28Å; L401-V578 HydrophobicContact CB-CG1 4.3Å; L401-V578 HydrophobicContact CB-CG2 4.48Å; L401-V578 HydrophobicContact CD2-CG2 4.3Å; L401-I581 HydrophobicContact CD1-CD1 4.41Å; L401-I581 HydrophobicContact CD1-CG2 4.47Å |
| 402 | Q | 91.4 | Very high | 91.1 | Very high | 84 Ų | 84 | 41 Ų | 41 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 172.1 | 178.6 | -177.6 | 21.6 | 0 | 0 | 111.7 | N400 C404 Y405 R406 F468 | N400-Q402 PolarHBondContact O-N 3.22Å; N400-Q402 VanDerWaalsContact OD1-CB 3.3Å; N400-Q402 WeakPolarHBondContact OD1-CB 3.3Å; N400-Q402 PolarHBondContact OD1-N 2.94Å; N400-Q402 VanDerWaalsContact OD1-N 3.16Å; Q402-C404 VanDerWaalsContact C-N 3.29Å; Q402-C404 PolarHBondContact O-N 3.41Å; Q402-Y405 PolarHBondContact O-N 3.11Å; Q402-R406 WeakPolarHBondContact O-CG 3.3Å; Q402-R406 PolarHBondContact O-N 2.99Å; Q402-F468 HydrophobicContact CB-CD1 4.13Å; Q402-F468 HydrophobicContact CB-CD2 3.65Å; Q402-F468 HydrophobicContact CB-CE1 4.25Å; Q402-F468 HydrophobicContact CB-CE2 3.78Å; Q402-F468 HydrophobicContact CB-CG 3.84Å; Q402-F468 HydrophobicContact CB-CZ 4.09Å; Q402-F468 HydrophobicContact CG-CD1 4.45Å; Q402-F468 HydrophobicContact CG-CD2 4.02Å; Q402-F468 HydrophobicContact CG-CE1 4.06Å; Q402-F468 HydrophobicContact CG-CE2 3.59Å; Q402-F468 HydrophobicContact CG-CG 4.44Å; Q402-F468 HydrophobicContact CG-CZ 3.62Å |
| 403 | D | 92.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.2 | -72.7 | -41.9 | 0 | 0 | 0 | 110.9 | L390 K393 F394 A399 N400 R406 L407 | L390-D403 HydrophobicContact CD1-CB 3.72Å; K393-D403 WeakPolarHBondContact CD-OD2 3.19Å; K393-D403 VanDerWaalsContact NZ-CG 3.28Å; K393-D403 IonicContact NZ-OD1 3.85Å; K393-D403 PolarHBondContact NZ-OD1 3.39Å; K393-D403 IonicContact NZ-OD2 2.71Å; K393-D403 PolarHBondContact NZ-OD2 2.88Å; F394-D403 HydrophobicContact CZ-CB 4.48Å; A399-D403 HydrophobicContact CB-CB 4.07Å; N400-D403 PolarHBondContact N-OD2 3.5Å; N400-D403 WeakPolarHBondContact O-CB 3.37Å; N400-D403 PolarHBondContact O-N 3.26Å; N400-D403 VanDerWaalsContact O-N 3.13Å; N400-D403 PolarHBondContact OD1-N 3.5Å; N400-D403 PolarHBondContact OD1-OD2 3.26Å; D403-R406 PolarHBondContact O-N 3.13Å; D403-L407 PolarHBondContact O-N 2.95Å; D403-L407 VanDerWaalsContact O-N 3.08Å |
| 404 | C | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 172.4 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | N400 L401 Q402 L407 Y408 I454 | N400-C404 PolarHBondContact O-N 3.26Å; N400-C404 PolarHBondContact O-SG 3.43Å; N400-C404 VanDerWaalsContact O-SG 3.4Å; L401-C404 HydrophobicContact CD1-CB 4.43Å; L401-C404 WeakPolarHBondContact O-CB 3.12Å; L401-C404 PolarHBondContact O-N 3.02Å; Q402-C404 VanDerWaalsContact C-N 3.29Å; Q402-C404 PolarHBondContact O-N 3.41Å; C404-L407 PolarHBondContact O-N 2.95Å; C404-Y408 WeakPolarHBondContact O-CB 3.38Å; C404-Y408 PolarHBondContact O-N 3.27Å; C404-I454 HydrophobicContact CB-CD1 3.84Å |
| 405 | Y | 94.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.9 | -179.4 | -106.5 | 0 | 0 | 0 | 112.4 | L401 Q402 L407 Y408 Q409 L458 M460 V463 F468 | L401-Y405 PolarHBondContact O-N 3.47Å; Q402-Y405 PolarHBondContact O-N 3.11Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 2.71Å; Y405-Y408 HydrophobicContact CD2-CD1 4.16Å; Y405-Y408 HydrophobicContact CE2-CD1 4.22Å; Y405-Y408 WeakPolarHBondContact O-CB 3.47Å; Y405-Y408 PolarHBondContact O-N 2.98Å; Y405-Q409 HydrophobicContact CD1-CG 4.13Å; Y405-Q409 HydrophobicContact CE1-CG 3.7Å; Y405-Q409 HydrophobicContact CE2-CG 4.11Å; Y405-Q409 WeakPolarHBondContact O-CG 3.35Å; Y405-Q409 PolarHBondContact O-N 3.49Å; Y405-Q409 PolarHBondContact OH-NE2 3.43Å; Y405-L458 HydrophobicContact CD2-CD1 4.21Å; Y405-L458 HydrophobicContact CD2-CD2 4.34Å; Y405-M460 HydrophobicContact CD2-SD 4.38Å; Y405-M460 HydrophobicContact CE2-SD 3.89Å; Y405-V463 HydrophobicContact CD1-CG1 4.1Å; Y405-V463 HydrophobicContact CD2-CG1 4.45Å; Y405-V463 HydrophobicContact CD2-CG2 4.46Å; Y405-V463 HydrophobicContact CE1-CG1 3.55Å; Y405-V463 HydrophobicContact CE2-CG1 3.98Å; Y405-V463 HydrophobicContact CE2-CG2 4.42Å; Y405-V463 HydrophobicContact CG-CG1 4.5Å; Y405-F468 HydrophobicContact CD1-CD1 4.35Å; Y405-F468 AromaticContact CD1-CE1 3.62Å; Y405-F468 HydrophobicContact CD1-CE1 3.62Å; Y405-F468 HydrophobicContact CE1-CE1 4.28Å; Y405-F468 HydrophobicContact CG-CD1 4.3Å; Y405-F468 HydrophobicContact CG-CE1 4.01Å |
| 406 | R | 93.9 | Very high | 93 | Very high | 116 Ų | 116 | 42.6 Ų | 42.6 | 44% | 0.438 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.2 | -70.7 | 174.4 | 74.1 | 179.4 | 6.4 | 112 | Q402 D403 G410 | Q402-R406 WeakPolarHBondContact O-CG 3.3Å; Q402-R406 PolarHBondContact O-N 2.99Å; D403-R406 PolarHBondContact O-N 3.13Å; R406-G410 PolarHBondContact O-N 3.29Å; R406-G410 VanDerWaalsContact O-N 3.15Å |
| 407 | L | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 173.4 | 178.7 | 57 | 0 | 0 | 0 | 110.9 | L387 L390 F394 D403 C404 Y405 Q409 G410 I411 F450 M592 | L387-L407 HydrophobicContact CD2-CD1 4Å; L390-L407 HydrophobicContact CD2-CB 3.74Å; L390-L407 HydrophobicContact CD2-CD1 4.31Å; F394-L407 HydrophobicContact CE2-CD2 3.92Å; F394-L407 HydrophobicContact CZ-CD2 4.28Å; D403-L407 PolarHBondContact O-N 2.95Å; D403-L407 VanDerWaalsContact O-N 3.08Å; C404-L407 PolarHBondContact O-N 2.95Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 2.71Å; L407-Q409 PolarHBondContact O-N 2.63Å; L407-G410 PolarHBondContact O-N 3.49Å; L407-I411 HydrophobicContact CD1-CD1 3.7Å; L407-I411 HydrophobicContact CD1-CG1 4.06Å; L407-I411 HydrophobicContact CD2-CD1 4.39Å; L407-I411 HydrophobicContact CG-CD1 3.64Å; L407-I411 HydrophobicContact CG-CG1 4.41Å; L407-I411 WeakPolarHBondContact O-CG1 3.5Å; L407-I411 PolarHBondContact O-N 2.86Å; L407-F450 HydrophobicContact CB-CE1 4.24Å; L407-F450 HydrophobicContact CB-CZ 4.1Å; L407-F450 HydrophobicContact CD2-CE1 3.84Å; L407-F450 HydrophobicContact CD2-CE2 3.96Å; L407-F450 HydrophobicContact CD2-CZ 3.53Å; L407-F450 HydrophobicContact CG-CE1 3.76Å; L407-F450 HydrophobicContact CG-CZ 3.86Å; L407-M592 HydrophobicContact CD1-CG 4.01Å; L407-M592 HydrophobicContact CD1-SD 3.56Å; L407-M592 VanDerWaalsContact CD1-SD 3.56Å; L407-M592 HydrophobicContact CD2-CE 4.34Å; L407-M592 HydrophobicContact CD2-CG 4.34Å; L407-M592 HydrophobicContact CD2-SD 3.29Å; L407-M592 WeakPolarHBondContact CD2-SD 2.95Å; L407-M592 HydrophobicContact CG-SD 4.06Å |
| 408 | Y | 96.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 11% | 0.106 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -47.6 | 177.2 | 165.6 | -96.7 | 0 | 0 | 0 | 112.2 | C404 Y405 G410 I411 N412 Q451 I454 E455 M460 | C404-Y408 WeakPolarHBondContact O-CB 3.38Å; C404-Y408 PolarHBondContact O-N 3.27Å; Y405-Y408 HydrophobicContact CD2-CD1 4.16Å; Y405-Y408 HydrophobicContact CE2-CD1 4.22Å; Y405-Y408 WeakPolarHBondContact O-CB 3.47Å; Y405-Y408 PolarHBondContact O-N 2.98Å; Y408-G410 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 3.25Å; Y408-I411 PolarHBondContact O-N 2.82Å; Y408-N412 WeakPolarHBondContact O-CB 3.42Å; Y408-N412 PolarHBondContact O-N 3.43Å; Y408-Q451 HydrophobicContact CD2-CB 4.14Å; Y408-Q451 HydrophobicContact CD2-CG 3.9Å; Y408-Q451 HydrophobicContact CE2-CB 4.11Å; Y408-Q451 HydrophobicContact CE2-CG 4.14Å; Y408-I454 HydrophobicContact CD1-CG2 4.49Å; Y408-I454 HydrophobicContact CD2-CB 4.18Å; Y408-I454 HydrophobicContact CD2-CG2 4.16Å; Y408-I454 HydrophobicContact CG-CB 4.42Å; Y408-I454 HydrophobicContact CG-CG2 3.96Å; Y408-E455 HydrophobicContact CE2-CG 3.64Å; Y408-E455 WeakPolarHBondContact CE2-OE1 3.47Å; Y408-E455 WeakPolarHBondContact OH-CG 3.46Å; Y408-E455 PolarHBondContact OH-OE1 3.27Å; Y408-E455 VanDerWaalsContact OH-OE1 3.08Å; Y408-M460 HydrophobicContact CD1-CE 4.36Å; Y408-M460 HydrophobicContact CE1-CE 3.82Å |
| 409 | Q | 94.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 40% | 0.397 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 177.2 | -75.6 | -173.5 | -40.4 | 0 | 0 | 112.3 | Y405 L407 N412 | Y405-Q409 HydrophobicContact CD1-CG 4.13Å; Y405-Q409 HydrophobicContact CE1-CG 3.7Å; Y405-Q409 HydrophobicContact CE2-CG 4.11Å; Y405-Q409 WeakPolarHBondContact O-CG 3.35Å; Y405-Q409 PolarHBondContact O-N 3.49Å; Y405-Q409 PolarHBondContact OH-NE2 3.43Å; L407-Q409 PolarHBondContact O-N 2.63Å; Q409-N412 PolarHBondContact O-N 2.93Å |
| 410 | G | 95.1 | Very high | 95 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F384 R406 L407 Y408 N412 Q413 | F384-G410 WeakPolarHBondContact CE1-O 3.36Å; R406-G410 PolarHBondContact O-N 3.29Å; R406-G410 VanDerWaalsContact O-N 3.15Å; L407-G410 PolarHBondContact O-N 3.49Å; Y408-G410 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 3.25Å; G410-N412 PolarHBondContact O-N 2.84Å; G410-Q413 WeakPolarHBondContact O-CB 3.27Å; G410-Q413 PolarHBondContact O-N 2.87Å |
| 411 | I | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | 177.6 | -64.9 | 164.4 | 0 | 0 | 0 | 111 | L407 Y408 Q413 L414 F447 F450 Q451 | L407-I411 HydrophobicContact CD1-CD1 3.7Å; L407-I411 HydrophobicContact CD1-CG1 4.06Å; L407-I411 HydrophobicContact CD2-CD1 4.39Å; L407-I411 HydrophobicContact CG-CD1 3.64Å; L407-I411 HydrophobicContact CG-CG1 4.41Å; L407-I411 WeakPolarHBondContact O-CG1 3.5Å; L407-I411 PolarHBondContact O-N 2.86Å; Y408-I411 PolarHBondContact O-N 2.82Å; I411-Q413 PolarHBondContact O-N 2.98Å; I411-Q413 VanDerWaalsContact O-N 3.09Å; I411-L414 WeakPolarHBondContact O-CB 3.41Å; I411-L414 PolarHBondContact O-N 3.28Å; I411-F447 HydrophobicContact CD1-CB 3.97Å; I411-F447 HydrophobicContact CD1-CD1 3.36Å; I411-F447 HydrophobicContact CD1-CD2 4.19Å; I411-F447 HydrophobicContact CD1-CE1 3.8Å; I411-F447 HydrophobicContact CD1-CG 3.59Å; I411-F447 HydrophobicContact CD1-CZ 4.4Å; I411-F447 HydrophobicContact CG1-CB 4.42Å; I411-F447 HydrophobicContact CG1-CD1 4.27Å; I411-F447 HydrophobicContact CG1-CD2 4.23Å; I411-F447 HydrophobicContact CG1-CG 4.07Å; I411-F447 HydrophobicContact CG2-CB 3.66Å; I411-F447 HydrophobicContact CG2-CD2 4.5Å; I411-F447 HydrophobicContact CG2-CG 4.18Å; I411-F450 HydrophobicContact CD1-CD1 3.57Å; I411-F450 HydrophobicContact CD1-CE1 3.78Å; I411-Q451 HydrophobicContact CB-CG 4.48Å; I411-Q451 HydrophobicContact CG2-CG 3.83Å |
| 412 | N | 96.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 35% | 0.353 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.2 | 178.5 | -153.9 | 39.9 | 0 | 0 | 0 | 113.6 | Y408 Q409 G410 Q451 | Y408-N412 WeakPolarHBondContact O-CB 3.42Å; Y408-N412 PolarHBondContact O-N 3.43Å; Q409-N412 PolarHBondContact O-N 2.93Å; G410-N412 PolarHBondContact O-N 2.84Å; N412-Q451 PolarHBondContact OD1-NE2 3.01Å |
| 413 | Q | 96.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.5 | 171.5 | -55.8 | -56 | -49 | 0 | 0 | 113.8 | R383 F384 G410 I411 P415 N416 V417 | R383-Q413 HydrophobicContact CB-CG 3.91Å; F384-Q413 HydrophobicContact CE1-CB 4.15Å; F384-Q413 HydrophobicContact CE2-CB 4.05Å; F384-Q413 HydrophobicContact CZ-CB 3.61Å; G410-Q413 WeakPolarHBondContact O-CB 3.27Å; G410-Q413 PolarHBondContact O-N 2.87Å; I411-Q413 PolarHBondContact O-N 2.98Å; I411-Q413 VanDerWaalsContact O-N 3.09Å; Q413-P415 VanDerWaalsContact C-CD 3.48Å; Q413-P415 VanDerWaalsContact C-N 3.34Å; Q413-N416 WeakPolarHBondContact O-CB 3.44Å; Q413-N416 PolarHBondContact O-N 2.93Å; Q413-N416 PolarHBondContact OE1-ND2 2.91Å; Q413-V417 PolarHBondContact O-N 2.79Å; Q413-V417 VanDerWaalsContact O-N 3.11Å |
| 414 | L | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.4 | -46.1 | 177.5 | -95.3 | 51.7 | 0 | 0 | 0 | 112.4 | F384 I411 N416 V417 I418 R444 L595 | F384-L414 HydrophobicContact CE1-CD1 3.42Å; F384-L414 VanDerWaalsContact CE1-CD1 3.42Å; F384-L414 HydrophobicContact CZ-CD1 3.88Å; I411-L414 WeakPolarHBondContact O-CB 3.41Å; I411-L414 PolarHBondContact O-N 3.28Å; L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 3.49Å; L414-V417 PolarHBondContact O-N 2.72Å; L414-I418 HydrophobicContact CB-CD1 4.47Å; L414-I418 WeakPolarHBondContact O-CB 3.41Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.05Å; L414-I418 PolarHBondContact O-N 3.01Å; L414-R444 HydrophobicContact CD2-CB 4.04Å; L414-L595 HydrophobicContact CD1-CD1 4.18Å; L414-L595 HydrophobicContact CD1-CD2 4.09Å; L414-L595 HydrophobicContact CD2-CD1 4.37Å; L414-L595 HydrophobicContact CD2-CD2 4.4Å; L414-L595 HydrophobicContact CG-CD1 4.48Å |
| 415 | P | 96.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 177.7 | -25.9 | 35.8 | 0 | 0 | 0 | 113.2 | Q413 I418 Q419 | Q413-P415 VanDerWaalsContact C-CD 3.48Å; Q413-P415 VanDerWaalsContact C-N 3.34Å; P415-I418 PolarHBondContact O-N 3.39Å; P415-Q419 WeakPolarHBondContact O-CB 3.47Å; P415-Q419 PolarHBondContact O-N 2.87Å |
| 416 | N | 97.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 179.9 | -63 | -25.7 | 0 | 0 | 0 | 111.4 | L380 Q413 L414 A420 | L380-N416 HydrophobicContact CD1-CB 4.16Å; L380-N416 HydrophobicContact CD2-CB 3.76Å; Q413-N416 WeakPolarHBondContact O-CB 3.44Å; Q413-N416 PolarHBondContact O-N 2.93Å; Q413-N416 PolarHBondContact OE1-ND2 2.91Å; L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 3.49Å; N416-A420 WeakPolarHBondContact O-CB 3.45Å; N416-A420 PolarHBondContact O-N 3.1Å |
| 417 | V | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L376 L380 F384 Q413 L414 Q419 A420 L421 L440 L602 | L376-V417 HydrophobicContact CD2-CG1 4.01Å; L376-V417 HydrophobicContact CD2-CG2 4.39Å; L380-V417 HydrophobicContact CB-CG2 4.05Å; L380-V417 HydrophobicContact CD1-CG2 3.98Å; F384-V417 HydrophobicContact CE2-CG2 3.68Å; F384-V417 HydrophobicContact CZ-CG2 3.8Å; Q413-V417 PolarHBondContact O-N 2.79Å; Q413-V417 VanDerWaalsContact O-N 3.11Å; L414-V417 PolarHBondContact O-N 2.72Å; V417-Q419 PolarHBondContact O-N 2.75Å; V417-A420 PolarHBondContact O-N 3.33Å; V417-L421 HydrophobicContact CG1-CD1 3.79Å; V417-L421 WeakPolarHBondContact O-CD1 2.99Å; V417-L421 WeakPolarHBondContact O-CG 3.17Å; V417-L421 PolarHBondContact O-N 3.37Å; V417-L440 HydrophobicContact CG1-CD1 3.87Å; V417-L602 HydrophobicContact CG1-CD2 3.95Å |
| 418 | I | 97.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 177.3 | -70 | 164.9 | 0 | 0 | 0 | 109.9 | L414 P415 A420 L421 E422 V437 L440 R444 | L414-I418 HydrophobicContact CB-CD1 4.47Å; L414-I418 WeakPolarHBondContact O-CB 3.41Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.05Å; L414-I418 PolarHBondContact O-N 3.01Å; P415-I418 PolarHBondContact O-N 3.39Å; I418-A420 VanDerWaalsContact C-N 3.32Å; I418-A420 PolarHBondContact O-N 3.35Å; I418-L421 PolarHBondContact O-N 2.86Å; I418-L421 VanDerWaalsContact O-N 3.16Å; I418-E422 HydrophobicContact CG2-CG 4.29Å; I418-E422 WeakPolarHBondContact O-CG 3.28Å; I418-E422 PolarHBondContact O-N 3.18Å; I418-V437 HydrophobicContact CG2-CG1 4.19Å; I418-L440 HydrophobicContact CD1-CB 4.08Å; I418-L440 HydrophobicContact CG1-CB 3.81Å; I418-R444 HydrophobicContact CD1-CB 4.2Å |
| 419 | Q | 96.3 | Very high | 93.3 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 179.3 | -172.6 | -174.6 | 35.5 | 0 | 0 | 112.3 | P415 V417 E422 K423 | P415-Q419 WeakPolarHBondContact O-CB 3.47Å; P415-Q419 PolarHBondContact O-N 2.87Å; V417-Q419 PolarHBondContact O-N 2.75Å; Q419-E422 PolarHBondContact O-N 2.86Å; Q419-K423 VanDerWaalsContact O-CG 3.3Å; Q419-K423 WeakPolarHBondContact O-CG 3.33Å; Q419-K423 PolarHBondContact O-N 3.18Å |
| 420 | A | 95.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L372 T375 L380 N416 V417 I418 K423 | L372-A420 HydrophobicContact CD1-CB 3.99Å; L372-A420 WeakPolarHBondContact CD1-O 3.34Å; T375-A420 HydrophobicContact CG2-CB 4.45Å; L380-A420 HydrophobicContact CD1-CB 4.3Å; N416-A420 WeakPolarHBondContact O-CB 3.45Å; N416-A420 PolarHBondContact O-N 3.1Å; V417-A420 PolarHBondContact O-N 3.33Å; I418-A420 VanDerWaalsContact C-N 3.32Å; I418-A420 PolarHBondContact O-N 3.35Å; A420-K423 PolarHBondContact O-N 3.49Å |
| 421 | L | 94.8 | Very high | 93 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.3 | -71.5 | 159.4 | 0 | 0 | 0 | 112.8 | F366 L372 L376 V417 I418 K423 H424 F436 V437 L440 L602 | F366-L421 HydrophobicContact CE1-CD2 4.33Å; F366-L421 HydrophobicContact CZ-CD2 4.2Å; L372-L421 HydrophobicContact CD1-CD2 4.43Å; L376-L421 HydrophobicContact CD1-CD2 4.44Å; V417-L421 HydrophobicContact CG1-CD1 3.79Å; V417-L421 WeakPolarHBondContact O-CD1 2.99Å; V417-L421 WeakPolarHBondContact O-CG 3.17Å; V417-L421 PolarHBondContact O-N 3.37Å; I418-L421 PolarHBondContact O-N 2.86Å; I418-L421 VanDerWaalsContact O-N 3.16Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.94Å; L421-F436 HydrophobicContact CD1-CB 4.08Å; L421-V437 HydrophobicContact CB-CG2 3.58Å; L421-V437 HydrophobicContact CD1-CG2 4.24Å; L421-V437 HydrophobicContact CG-CG2 4.47Å; L421-L440 HydrophobicContact CD1-CD1 3.82Å; L421-L602 HydrophobicContact CD2-CD1 4.34Å |
| 422 | E | 93.4 | Very high | 92.7 | Very high | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -28.4 | 179.5 | -74.5 | 177.8 | 158.7 | 0 | 0 | 113.5 | I418 Q419 H424 V437 | I418-E422 HydrophobicContact CG2-CG 4.29Å; I418-E422 WeakPolarHBondContact O-CG 3.28Å; I418-E422 PolarHBondContact O-N 3.18Å; Q419-E422 PolarHBondContact O-N 2.86Å; E422-H424 PolarHBondContact O-N 3.09Å; E422-V437 HydrophobicContact CG-CG1 3.91Å |
| 423 | K | 92.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 59% | 0.591 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.6 | 175.4 | -76.3 | 172.1 | 177.8 | -179.1 | 0 | 113.3 | Q419 A420 L421 E425 | Q419-K423 VanDerWaalsContact O-CG 3.3Å; Q419-K423 WeakPolarHBondContact O-CG 3.33Å; Q419-K423 PolarHBondContact O-N 3.18Å; A420-K423 PolarHBondContact O-N 3.49Å; L421-K423 VanDerWaalsContact C-N 3.34Å; K423-E425 PolarHBondContact O-N 2.81Å |
| 424 | H | 89.2 | Confident | 92.3 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | trans | -66.7 | 123.7 | 178.5 | -179.2 | 72.4 | 0 | 0 | 0 | 111.3 | D369 L372 L421 E422 Q429 L432 | D369-H424 WeakPolarHBondContact CB-ND1 3.37Å; D369-H424 IonicContact OD2-CE1 2.65Å; D369-H424 IonicContact OD2-CG 3.81Å; D369-H424 IonicContact OD2-ND1 3.36Å; D369-H424 PolarHBondContact OD2-ND1 2.85Å; L372-H424 HydrophobicContact CD2-CB 4.1Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.94Å; E422-H424 PolarHBondContact O-N 3.09Å; H424-Q429 PolarHBondContact O-NE2 3.12Å; H424-L432 HydrophobicContact CB-CD1 4.44Å; H424-L432 VanDerWaalsContact CD2-CD1 3.46Å; H424-L432 WeakPolarHBondContact CD2-CD1 3.37Å | ||
| 425 | E | 84 | Confident | 92.3 | Very high | 173 Ų | 173 | 63.8 Ų | 63.8 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | trans | -113.8 | 118.6 | 171 | -64.6 | -173.7 | 174.1 | 0 | 0 | 108.8 | K423 | K423-E425 PolarHBondContact O-N 2.81Š| ||
| 426 | G | 84.7 | Confident | 92.3 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 178.7 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | H428 Q429 | G426-H428 PolarHBondContact O-N 2.98Å; G426-Q429 WeakPolarHBondContact O-CB 3.42Å; G426-Q429 PolarHBondContact O-N 2.74Å |
| 427 | K | 89 | Confident | 92.2 | Very high | 157 Ų | 157 | 58.7 Ų | 58.7 | 68% | 0.683 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.5 | -178.9 | -178.3 | -176.7 | 170.3 | -163.2 | 0 | 112.7 | E364 | E364-K427 IonicContact OE2-NZ 2.81Š|
| 428 | H | 91.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.06 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8 | -174.2 | -60.1 | -55.2 | 0 | 0 | 0 | 114.4 | N361 E364 A365 G426 K430 L431 L432 | N361-H428 PolarHBondContact O-CD2 3.47Å; N361-H428 PolarHBondContact OD1-CE1 3.45Å; N361-H428 VanDerWaalsContact OD1-CE1 3.29Å; E364-H428 IonicContact OE2-CD2 2.76Å; E364-H428 IonicContact OE2-CE1 3.58Å; E364-H428 PolarHBondContact OE2-CE1 2.79Å; E364-H428 IonicContact OE2-NE2 2.9Å; E364-H428 PolarHBondContact OE2-NE2 3.05Å; A365-H428 HydrophobicContact CB-CB 3.84Å; G426-H428 PolarHBondContact O-N 2.98Å; H428-K430 VanDerWaalsContact C-N 3.27Å; H428-K430 PolarHBondContact O-N 3.4Å; H428-L431 WeakPolarHBondContact O-CB 3.46Å; H428-L431 PolarHBondContact O-N 2.98Å; H428-L432 PolarHBondContact O-N 3.46Å |
| 429 | Q | 83.6 | Confident | 92.2 | Very high | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -51.3 | -45 | -178.1 | -173.2 | -173.7 | 28.3 | 0 | 0 | 112.6 | H424 G426 L431 L432 L433 | H424-Q429 PolarHBondContact O-NE2 3.12Å; G426-Q429 WeakPolarHBondContact O-CB 3.42Å; G426-Q429 PolarHBondContact O-N 2.74Å; Q429-L431 VanDerWaalsContact C-N 3.31Å; Q429-L431 PolarHBondContact O-N 2.99Å; Q429-L432 PolarHBondContact O-N 3.36Å; Q429-L433 HydrophobicContact CG-CD1 4.05Å; Q429-L433 HydrophobicContact CG-CG 4.48Å; Q429-L433 WeakPolarHBondContact O-CB 3.24Å; Q429-L433 VanDerWaalsContact O-CG 3.25Å; Q429-L433 WeakPolarHBondContact O-CG 3.14Å; Q429-L433 PolarHBondContact O-N 3.47Å |
| 430 | K | 91.2 | Very high | 92.2 | Very high | 180 Ų | 180 | 58.1 Ų | 58.1 | 78% | 0.783 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.3 | -37.5 | 179.6 | -65.7 | -175.6 | -178.8 | 179.6 | 0 | 113.1 | H428 A434 | H428-K430 VanDerWaalsContact C-N 3.27Å; H428-K430 PolarHBondContact O-N 3.4Å; K430-A434 WeakPolarHBondContact O-CB 3.37Å; K430-A434 PolarHBondContact O-N 2.84Å; K430-A434 VanDerWaalsContact O-N 3.11Å |
| 431 | L | 92.2 | Very high | 92.3 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.4 | -45.9 | 178.7 | -178.2 | 66.5 | 0 | 0 | 0 | 110.5 | E358 N361 L362 H428 Q429 L433 A434 V435 | E358-L431 HydrophobicContact CG-CD1 4.2Å; E358-L431 HydrophobicContact CG-CD2 4.37Å; N361-L431 HydrophobicContact CB-CD2 3.61Å; L362-L431 HydrophobicContact CD2-CD2 3.84Å; L362-L431 HydrophobicContact CD2-CG 3.91Å; L362-L431 HydrophobicContact CG-CD2 4.2Å; H428-L431 WeakPolarHBondContact O-CB 3.46Å; H428-L431 PolarHBondContact O-N 2.98Å; Q429-L431 VanDerWaalsContact C-N 3.31Å; Q429-L431 PolarHBondContact O-N 2.99Å; L431-L433 VanDerWaalsContact C-N 3.27Å; L431-L433 PolarHBondContact O-N 3.3Å; L431-A434 PolarHBondContact O-N 2.9Å; L431-V435 HydrophobicContact CD1-CG2 3.76Å; L431-V435 HydrophobicContact CG-CG2 4.27Å; L431-V435 WeakPolarHBondContact O-CB 3.36Å; L431-V435 WeakPolarHBondContact O-CG2 3.47Å; L431-V435 PolarHBondContact O-N 2.87Å |
| 432 | L | 90.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.2 | -73.1 | 175.8 | 0 | 0 | 0 | 111.9 | L362 A365 F366 H424 H428 Q429 F436 V437 | L362-L432 HydrophobicContact CD2-CD2 3.96Å; A365-L432 HydrophobicContact CB-CD1 3.86Å; A365-L432 HydrophobicContact CB-CD2 4.39Å; A365-L432 HydrophobicContact CB-CG 4.27Å; F366-L432 HydrophobicContact CE2-CD2 3.97Å; F366-L432 HydrophobicContact CZ-CD2 3.87Å; H424-L432 HydrophobicContact CB-CD1 4.44Å; H424-L432 VanDerWaalsContact CD2-CD1 3.46Å; H424-L432 WeakPolarHBondContact CD2-CD1 3.37Å; H428-L432 PolarHBondContact O-N 3.46Å; Q429-L432 PolarHBondContact O-N 3.36Å; L432-F436 HydrophobicContact CD2-CD2 3.82Å; L432-F436 HydrophobicContact CD2-CE2 4.07Å; L432-F436 WeakPolarHBondContact O-CB 3.36Å; L432-F436 PolarHBondContact O-N 3.43Å; L432-V437 PolarHBondContact O-N 3.13Å |
| 433 | L | 91.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -61.7 | -50.6 | 176.3 | -74.2 | 168.1 | 0 | 0 | 0 | 111.5 | Q429 L431 V437 T438 | Q429-L433 HydrophobicContact CG-CD1 4.05Å; Q429-L433 HydrophobicContact CG-CG 4.48Å; Q429-L433 WeakPolarHBondContact O-CB 3.24Å; Q429-L433 VanDerWaalsContact O-CG 3.25Å; Q429-L433 WeakPolarHBondContact O-CG 3.14Å; Q429-L433 PolarHBondContact O-N 3.47Å; L431-L433 VanDerWaalsContact C-N 3.27Å; L431-L433 PolarHBondContact O-N 3.3Å; L433-V437 HydrophobicContact CD2-CB 3.83Å; L433-V437 HydrophobicContact CD2-CG1 3.93Å; L433-V437 HydrophobicContact CD2-CG2 3.88Å; L433-V437 PolarHBondContact O-N 3.4Å; L433-T438 PolarHBondContact O-N 3.11Å; L433-T438 PolarHBondContact O-OG1 2.91Å |
| 434 | A | 94.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -67.6 | -39 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K430 L431 P439 | K430-A434 WeakPolarHBondContact O-CB 3.37Å; K430-A434 PolarHBondContact O-N 2.84Å; K430-A434 VanDerWaalsContact O-N 3.11Å; L431-A434 PolarHBondContact O-N 2.9Å; A434-P439 WeakPolarHBondContact O-CD 3.38Å |
| 435 | V | 95.4 | Very high | 93 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -87.3 | -33.9 | -173.8 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | L362 L431 P439 | L362-V435 HydrophobicContact CD1-CG1 4.38Å; L431-V435 HydrophobicContact CD1-CG2 3.76Å; L431-V435 HydrophobicContact CG-CG2 4.27Å; L431-V435 WeakPolarHBondContact O-CB 3.36Å; L431-V435 WeakPolarHBondContact O-CG2 3.47Å; L431-V435 PolarHBondContact O-N 2.87Å; V435-P439 WeakPolarHBondContact O-CG 3.28Å |
| 436 | F | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -118.3 | -53.1 | -174.9 | -62.2 | -56.3 | 0 | 0 | 0 | 113.5 | L362 F366 L421 L432 P439 L440 V598 Q601 L602 V605 | L362-F436 HydrophobicContact CD1-CE2 4.12Å; L362-F436 HydrophobicContact CD1-CZ 4.07Å; L362-F436 HydrophobicContact CD2-CD2 4.43Å; L362-F436 HydrophobicContact CD2-CE2 3.8Å; L362-F436 HydrophobicContact CG-CE2 4.45Å; F366-F436 HydrophobicContact CE2-CE2 4.31Å; F366-F436 HydrophobicContact CZ-CE2 4.46Å; L421-F436 HydrophobicContact CD1-CB 4.08Å; L432-F436 HydrophobicContact CD2-CD2 3.82Å; L432-F436 HydrophobicContact CD2-CE2 4.07Å; L432-F436 WeakPolarHBondContact O-CB 3.36Å; L432-F436 PolarHBondContact O-N 3.43Å; F436-P439 WeakPolarHBondContact O-CD 3.47Å; F436-L440 HydrophobicContact CB-CD1 4.48Å; F436-L440 VanDerWaalsContact O-CB 3.22Å; F436-L440 WeakPolarHBondContact O-CB 2.89Å; F436-L440 WeakPolarHBondContact O-CD1 3.26Å; F436-L440 WeakPolarHBondContact O-CG 3.34Å; F436-L440 PolarHBondContact O-N 2.88Å; F436-V598 HydrophobicContact CD1-CG1 4.22Å; F436-Q601 HydrophobicContact CE1-CB 4.16Å; F436-Q601 HydrophobicContact CE1-CG 3.96Å; F436-Q601 HydrophobicContact CZ-CG 4.04Å; F436-L602 HydrophobicContact CD1-CB 4.14Å; F436-L602 HydrophobicContact CD1-CD1 4.39Å; F436-L602 HydrophobicContact CD2-CD1 4.11Å; F436-L602 HydrophobicContact CE1-CB 3.78Å; F436-L602 HydrophobicContact CE1-CD1 4.31Å; F436-L602 HydrophobicContact CE2-CD1 3.98Å; F436-L602 HydrophobicContact CG-CD1 4.3Å; F436-L602 HydrophobicContact CZ-CB 4.17Å; F436-L602 HydrophobicContact CZ-CD1 4.1Å; F436-V605 HydrophobicContact CE2-CG2 4.32Å; F436-V605 HydrophobicContact CZ-CG2 4.07Å |
| 437 | V | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -66.8 | -48.1 | -170.6 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | I418 L421 E422 L432 L433 L440 T441 | I418-V437 HydrophobicContact CG2-CG1 4.19Å; L421-V437 HydrophobicContact CB-CG2 3.58Å; L421-V437 HydrophobicContact CD1-CG2 4.24Å; L421-V437 HydrophobicContact CG-CG2 4.47Å; E422-V437 HydrophobicContact CG-CG1 3.91Å; L432-V437 PolarHBondContact O-N 3.13Å; L433-V437 HydrophobicContact CD2-CB 3.83Å; L433-V437 HydrophobicContact CD2-CG1 3.93Å; L433-V437 HydrophobicContact CD2-CG2 3.88Å; L433-V437 PolarHBondContact O-N 3.4Å; V437-L440 PolarHBondContact O-N 2.92Å; V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.25Å; V437-T441 PolarHBondContact O-N 3.19Å; V437-T441 PolarHBondContact O-OG1 3.31Å |
| 438 | T | 96.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -52.8 | 179 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | L433 L440 T441 D442 | L433-T438 PolarHBondContact O-N 3.11Å; L433-T438 PolarHBondContact O-OG1 2.91Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 3.3Å; T438-T441 PolarHBondContact O-N 3.03Å; T438-T441 VanDerWaalsContact O-N 3.1Å; T438-D442 PolarHBondContact O-N 3.06Å |
| 439 | P | 97.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 53 Ų | 53 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 177.4 | -27.3 | 38 | 0 | 0 | 0 | 113.8 | A434 V435 F436 T441 L443 V598 | A434-P439 WeakPolarHBondContact O-CD 3.38Å; V435-P439 WeakPolarHBondContact O-CG 3.28Å; F436-P439 WeakPolarHBondContact O-CD 3.47Å; P439-T441 VanDerWaalsContact C-N 3.34Å; P439-L443 WeakPolarHBondContact O-CB 3.35Å; P439-L443 WeakPolarHBondContact O-CD1 3.26Å; P439-L443 WeakPolarHBondContact O-CG 3.24Å; P439-L443 PolarHBondContact O-N 3.48Å; P439-V598 HydrophobicContact CB-CG2 4.26Å |
| 440 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -34.3 | 177.4 | -71.1 | 173.5 | 0 | 0 | 0 | 112.3 | V417 I418 L421 F436 V437 T438 R444 L595 V598 L599 | V417-L440 HydrophobicContact CG1-CD1 3.87Å; I418-L440 HydrophobicContact CD1-CB 4.08Å; I418-L440 HydrophobicContact CG1-CB 3.81Å; L421-L440 HydrophobicContact CD1-CD1 3.82Å; F436-L440 HydrophobicContact CB-CD1 4.48Å; F436-L440 VanDerWaalsContact O-CB 3.22Å; F436-L440 WeakPolarHBondContact O-CB 2.89Å; F436-L440 WeakPolarHBondContact O-CD1 3.26Å; F436-L440 WeakPolarHBondContact O-CG 3.34Å; F436-L440 PolarHBondContact O-N 2.88Å; V437-L440 PolarHBondContact O-N 2.92Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 3.3Å; L440-R444 VanDerWaalsContact O-CB 3.24Å; L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.3Å; L440-L595 HydrophobicContact CD2-CD1 3.59Å; L440-V598 HydrophobicContact CD2-CG1 3.79Å; L440-V598 HydrophobicContact CG-CG1 3.95Å; L440-L599 HydrophobicContact CD2-CD2 4.36Å |
| 441 | T | 97.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 41 Ų | 41 | 37% | 0.368 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | V437 T438 P439 R444 S445 | V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.25Å; V437-T441 PolarHBondContact O-N 3.19Å; V437-T441 PolarHBondContact O-OG1 3.31Å; T438-T441 PolarHBondContact O-N 3.03Å; T438-T441 VanDerWaalsContact O-N 3.1Å; P439-T441 VanDerWaalsContact C-N 3.34Å; T441-R444 WeakPolarHBondContact O-CB 3.38Å; T441-R444 PolarHBondContact O-N 3.24Å; T441-S445 PolarHBondContact O-N 2.99Å |
| 442 | D | 96.8 | Very high | 95.7 | Very high | 87 Ų | 87 | 43.7 Ų | 43.7 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -50.1 | 174.9 | -65 | -21.8 | 0 | 0 | 0 | 110 | T438 R444 S445 D446 | T438-D442 PolarHBondContact O-N 3.06Å; D442-R444 VanDerWaalsContact C-N 3.28Å; D442-R444 PolarHBondContact O-N 2.97Å; D442-S445 WeakPolarHBondContact O-CA 3.27Å; D442-S445 WeakPolarHBondContact O-CB 3.29Å; D442-S445 PolarHBondContact O-N 3.49Å; D442-S445 PolarHBondContact O-OG 3.06Å; D442-D446 PolarHBondContact O-N 3.2Å |
| 443 | L | 96.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 175.7 | -73.1 | 166.9 | 0 | 0 | 0 | 112.5 | P439 S445 D446 F447 P591 T594 L595 V598 | P439-L443 WeakPolarHBondContact O-CB 3.35Å; P439-L443 WeakPolarHBondContact O-CD1 3.26Å; P439-L443 WeakPolarHBondContact O-CG 3.24Å; P439-L443 PolarHBondContact O-N 3.48Å; L443-S445 VanDerWaalsContact C-N 3.25Å; L443-S445 PolarHBondContact O-N 3.06Å; L443-D446 PolarHBondContact O-N 3.35Å; L443-F447 WeakPolarHBondContact O-CD2 3.38Å; L443-F447 PolarHBondContact O-N 2.93Å; L443-P591 HydrophobicContact CD2-CB 4.22Å; L443-P591 WeakPolarHBondContact CD2-O 3.5Å; L443-T594 HydrophobicContact CD1-CG2 4.28Å; L443-T594 HydrophobicContact CD2-CG2 4.26Å; L443-L595 HydrophobicContact CD1-CB 3.86Å; L443-L595 HydrophobicContact CD1-CD1 3.86Å; L443-L595 HydrophobicContact CD1-CG 4.46Å; L443-L595 HydrophobicContact CD2-CB 4.49Å; L443-V598 HydrophobicContact CD1-CG2 4.47Å |
| 444 | R | 96.1 | Very high | 96 | Very high | 60 Ų | 60 | 42 Ų | 42 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.3 | 175.9 | 66.7 | -170.2 | 106.6 | -11.5 | 111.4 | L414 I418 L440 T441 D442 S448 | L414-R444 HydrophobicContact CD2-CB 4.04Å; I418-R444 HydrophobicContact CD1-CB 4.2Å; L440-R444 VanDerWaalsContact O-CB 3.24Å; L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.3Å; T441-R444 WeakPolarHBondContact O-CB 3.38Å; T441-R444 PolarHBondContact O-N 3.24Å; D442-R444 VanDerWaalsContact C-N 3.28Å; D442-R444 PolarHBondContact O-N 2.97Å; R444-S448 PolarHBondContact O-N 3.19Å |
| 445 | S | 96 | Very high | 95.9 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.7 | -38.9 | 177.6 | 79.6 | 0 | 0 | 0 | 0 | 111.8 | T441 D442 L443 F447 S448 | T441-S445 PolarHBondContact O-N 2.99Å; D442-S445 WeakPolarHBondContact O-CA 3.27Å; D442-S445 WeakPolarHBondContact O-CB 3.29Å; D442-S445 PolarHBondContact O-N 3.49Å; D442-S445 PolarHBondContact O-OG 3.06Å; L443-S445 VanDerWaalsContact C-N 3.25Å; L443-S445 PolarHBondContact O-N 3.06Å; S445-F447 VanDerWaalsContact C-N 3.32Å; S445-F447 PolarHBondContact O-N 3.21Å; S445-S448 WeakPolarHBondContact O-CB 3.38Å; S445-S448 PolarHBondContact O-N 3.43Å; S445-S448 PolarHBondContact O-OG 2.99Å; S445-S448 VanDerWaalsContact O-OG 3.11Å |
| 446 | D | 96.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 43% | 0.428 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.3 | -66.5 | -23.9 | 0 | 0 | 0 | 111.3 | D442 L443 S448 Y588 | D442-D446 PolarHBondContact O-N 3.2Å; L443-D446 PolarHBondContact O-N 3.35Å; D446-S448 VanDerWaalsContact C-N 3.3Å; D446-S448 PolarHBondContact O-N 3.44Å; D446-Y588 VanDerWaalsContact O-CE1 3.31Å; D446-Y588 WeakPolarHBondContact O-CE1 3.32Å |
| 447 | F | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -0.9 | 180 | -74.2 | -65.3 | 0 | 0 | 0 | 115.3 | I411 L443 S445 K449 F450 Q451 Y588 P591 M592 L595 | I411-F447 HydrophobicContact CD1-CB 3.97Å; I411-F447 HydrophobicContact CD1-CD1 3.36Å; I411-F447 HydrophobicContact CD1-CD2 4.19Å; I411-F447 HydrophobicContact CD1-CE1 3.8Å; I411-F447 HydrophobicContact CD1-CG 3.59Å; I411-F447 HydrophobicContact CD1-CZ 4.4Å; I411-F447 HydrophobicContact CG1-CB 4.42Å; I411-F447 HydrophobicContact CG1-CD1 4.27Å; I411-F447 HydrophobicContact CG1-CD2 4.23Å; I411-F447 HydrophobicContact CG1-CG 4.07Å; I411-F447 HydrophobicContact CG2-CB 3.66Å; I411-F447 HydrophobicContact CG2-CD2 4.5Å; I411-F447 HydrophobicContact CG2-CG 4.18Å; L443-F447 WeakPolarHBondContact O-CD2 3.38Å; L443-F447 PolarHBondContact O-N 2.93Å; S445-F447 VanDerWaalsContact C-N 3.32Å; S445-F447 PolarHBondContact O-N 3.21Å; F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.07Å; F447-F450 HydrophobicContact CD1-CB 4.33Å; F447-F450 PolarHBondContact O-N 2.94Å; F447-Q451 PolarHBondContact O-N 2.95Å; F447-Y588 HydrophobicContact CD1-CD1 4.06Å; F447-Y588 HydrophobicContact CD1-CG 4.46Å; F447-Y588 HydrophobicContact CE1-CD1 4.23Å; F447-Y588 HydrophobicContact CE1-CG 4.37Å; F447-P591 HydrophobicContact CE1-CB 4.25Å; F447-P591 HydrophobicContact CE2-CB 4Å; F447-P591 HydrophobicContact CZ-CB 3.69Å; F447-M592 HydrophobicContact CE1-CG 3.69Å; F447-M592 HydrophobicContact CZ-CB 4.23Å; F447-M592 HydrophobicContact CZ-CG 3.49Å; F447-M592 VanDerWaalsContact CZ-CG 3.49Å; F447-L595 HydrophobicContact CE2-CB 4.5Å; F447-L595 HydrophobicContact CE2-CD2 4Å |
| 448 | S | 95.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -40.1 | -174.8 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | R444 S445 D446 Q451 E452 | R444-S448 PolarHBondContact O-N 3.19Å; S445-S448 WeakPolarHBondContact O-CB 3.38Å; S445-S448 PolarHBondContact O-N 3.43Å; S445-S448 PolarHBondContact O-OG 2.99Å; S445-S448 VanDerWaalsContact O-OG 3.11Å; D446-S448 VanDerWaalsContact C-N 3.3Å; D446-S448 PolarHBondContact O-N 3.44Å; S448-Q451 PolarHBondContact O-N 3.4Å; S448-E452 PolarHBondContact O-N 3.48Å; S448-E452 VanDerWaalsContact O-N 3.1Å |
| 449 | K | 95.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 43 Ų | 43 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.7 | -34.9 | 178.9 | -70.6 | -69.3 | 165 | -157.9 | 0 | 112.9 | F447 E452 M453 Y588 | F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.07Å; K449-E452 IonicContact NZ-OE2 3.19Å; K449-E452 PolarHBondContact NZ-OE2 2.99Å; K449-M453 WeakPolarHBondContact O-CB 3.32Å; K449-M453 PolarHBondContact O-N 2.66Å; K449-Y588 WeakPolarHBondContact CB-OH 3.35Å |
| 450 | F | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 172.8 | 172.4 | -95.6 | 0 | 0 | 0 | 111.2 | L407 I411 F447 M453 I454 S585 Y588 | L407-F450 HydrophobicContact CB-CE1 4.24Å; L407-F450 HydrophobicContact CB-CZ 4.1Å; L407-F450 HydrophobicContact CD2-CE1 3.84Å; L407-F450 HydrophobicContact CD2-CE2 3.96Å; L407-F450 HydrophobicContact CD2-CZ 3.53Å; L407-F450 HydrophobicContact CG-CE1 3.76Å; L407-F450 HydrophobicContact CG-CZ 3.86Å; I411-F450 HydrophobicContact CD1-CD1 3.57Å; I411-F450 HydrophobicContact CD1-CE1 3.78Å; F447-F450 HydrophobicContact CD1-CB 4.33Å; F447-F450 PolarHBondContact O-N 2.94Å; F450-M453 HydrophobicContact CD2-CE 3.74Å; F450-M453 HydrophobicContact CE2-CE 3.97Å; F450-M453 WeakPolarHBondContact O-CB 3.48Å; F450-M453 PolarHBondContact O-N 2.88Å; F450-I454 HydrophobicContact CD1-CG1 4.5Å; F450-I454 HydrophobicContact CD2-CG1 4.46Å; F450-I454 HydrophobicContact CE1-CG1 3.96Å; F450-I454 HydrophobicContact CE2-CD1 4.14Å; F450-I454 HydrophobicContact CE2-CG1 3.92Å; F450-I454 HydrophobicContact CZ-CD1 4.14Å; F450-I454 HydrophobicContact CZ-CG1 3.63Å; F450-I454 WeakPolarHBondContact O-CG1 3.37Å; F450-I454 PolarHBondContact O-N 3.17Å; F450-I454 VanDerWaalsContact O-N 3.08Å; F450-S585 WeakPolarHBondContact CE2-OG 3.45Å; F450-Y588 HydrophobicContact CB-CD2 4.28Å; F450-Y588 HydrophobicContact CB-CE1 4.26Å; F450-Y588 HydrophobicContact CB-CE2 4.02Å; F450-Y588 HydrophobicContact CD2-CD2 4.32Å |
| 451 | Q | 95.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 178.7 | -71 | -168.4 | -50.6 | 0 | 0 | 113.1 | Y408 I411 N412 F447 S448 M453 I454 E455 | Y408-Q451 HydrophobicContact CD2-CB 4.14Å; Y408-Q451 HydrophobicContact CD2-CG 3.9Å; Y408-Q451 HydrophobicContact CE2-CB 4.11Å; Y408-Q451 HydrophobicContact CE2-CG 4.14Å; I411-Q451 HydrophobicContact CB-CG 4.48Å; I411-Q451 HydrophobicContact CG2-CG 3.83Å; N412-Q451 PolarHBondContact OD1-NE2 3.01Å; F447-Q451 PolarHBondContact O-N 2.95Å; S448-Q451 PolarHBondContact O-N 3.4Å; Q451-M453 VanDerWaalsContact C-N 3.26Å; Q451-M453 PolarHBondContact O-N 3.41Å; Q451-I454 PolarHBondContact O-N 3.47Å; Q451-I454 VanDerWaalsContact O-N 3.13Å; Q451-E455 WeakPolarHBondContact O-CG 3.19Å; Q451-E455 PolarHBondContact O-N 2.94Å |
| 452 | E | 95.2 | Very high | 93.1 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.7 | -41.9 | 176.6 | -173.5 | -180 | -175.6 | 0 | 0 | 111.2 | S448 K449 T456 | S448-E452 PolarHBondContact O-N 3.48Å; S448-E452 VanDerWaalsContact O-N 3.1Å; K449-E452 IonicContact NZ-OE2 3.19Å; K449-E452 PolarHBondContact NZ-OE2 2.99Å; E452-T456 WeakPolarHBondContact O-CB 3.28Å; E452-T456 VanDerWaalsContact O-CG2 3.27Å; E452-T456 WeakPolarHBondContact O-CG2 3.2Å; E452-T456 PolarHBondContact O-N 3.3Å; E452-T456 PolarHBondContact O-OG1 2.99Å |
| 453 | M | 95 | Very high | 92.5 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -52.2 | 173.7 | 179.5 | -172.1 | 69.1 | 0 | 0 | 111.5 | K449 F450 Q451 E455 T456 T457 I581 I584 | K449-M453 WeakPolarHBondContact O-CB 3.32Å; K449-M453 PolarHBondContact O-N 2.66Å; F450-M453 HydrophobicContact CD2-CE 3.74Å; F450-M453 HydrophobicContact CE2-CE 3.97Å; F450-M453 WeakPolarHBondContact O-CB 3.48Å; F450-M453 PolarHBondContact O-N 2.88Å; Q451-M453 VanDerWaalsContact C-N 3.26Å; Q451-M453 PolarHBondContact O-N 3.41Å; M453-E455 PolarHBondContact O-N 2.84Å; M453-T456 PolarHBondContact O-N 2.82Å; M453-T456 PolarHBondContact O-OG1 3.42Å; M453-T457 HydrophobicContact CG-CG2 4.42Å; M453-T457 WeakPolarHBondContact O-CB 3.32Å; M453-T457 VanDerWaalsContact O-CG2 3.28Å; M453-T457 WeakPolarHBondContact O-CG2 3.49Å; M453-T457 PolarHBondContact O-N 2.75Å; M453-T457 PolarHBondContact O-OG1 2.86Å; M453-I581 HydrophobicContact CE-CG2 3.96Å; M453-I581 HydrophobicContact SD-CG2 4.48Å; M453-I584 HydrophobicContact CE-CG2 4.38Å; M453-I584 HydrophobicContact SD-CB 4.07Å; M453-I584 HydrophobicContact SD-CD1 4.13Å; M453-I584 HydrophobicContact SD-CG2 3.7Å |
| 454 | I | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | -177.2 | -62.1 | -57.2 | 0 | 0 | 0 | 112.1 | C404 Y408 F450 Q451 T456 T457 L458 M460 I581 | C404-I454 HydrophobicContact CB-CD1 3.84Å; Y408-I454 HydrophobicContact CD1-CG2 4.49Å; Y408-I454 HydrophobicContact CD2-CB 4.18Å; Y408-I454 HydrophobicContact CD2-CG2 4.16Å; Y408-I454 HydrophobicContact CG-CB 4.42Å; Y408-I454 HydrophobicContact CG-CG2 3.96Å; F450-I454 HydrophobicContact CD1-CG1 4.5Å; F450-I454 HydrophobicContact CD2-CG1 4.46Å; F450-I454 HydrophobicContact CE1-CG1 3.96Å; F450-I454 HydrophobicContact CE2-CD1 4.14Å; F450-I454 HydrophobicContact CE2-CG1 3.92Å; F450-I454 HydrophobicContact CZ-CD1 4.14Å; F450-I454 HydrophobicContact CZ-CG1 3.63Å; F450-I454 WeakPolarHBondContact O-CG1 3.37Å; F450-I454 PolarHBondContact O-N 3.17Å; F450-I454 VanDerWaalsContact O-N 3.08Å; Q451-I454 PolarHBondContact O-N 3.47Å; Q451-I454 VanDerWaalsContact O-N 3.13Å; I454-T456 VanDerWaalsContact C-N 3.27Å; I454-T456 PolarHBondContact O-N 3.33Å; I454-T457 PolarHBondContact O-N 2.98Å; I454-L458 HydrophobicContact CG2-CB 3.98Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 WeakPolarHBondContact O-CB 3.39Å; I454-L458 PolarHBondContact O-N 2.85Å; I454-M460 HydrophobicContact CG2-CE 4.36Å; I454-I581 HydrophobicContact CD1-CG2 3.95Å |
| 455 | E | 92.7 | Very high | 91 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -32.5 | 178.4 | -72.1 | 172.5 | -174.8 | 0 | 0 | 113.1 | Y408 Q451 M453 M460 | Y408-E455 HydrophobicContact CE2-CG 3.64Å; Y408-E455 WeakPolarHBondContact CE2-OE1 3.47Å; Y408-E455 WeakPolarHBondContact OH-CG 3.46Å; Y408-E455 PolarHBondContact OH-OE1 3.27Å; Y408-E455 VanDerWaalsContact OH-OE1 3.08Å; Q451-E455 WeakPolarHBondContact O-CG 3.19Å; Q451-E455 PolarHBondContact O-N 2.94Å; M453-E455 PolarHBondContact O-N 2.84Å; E455-M460 HydrophobicContact CG-CE 4.45Å |
| 456 | T | 92.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -83.5 | -31.9 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | E452 M453 I454 | E452-T456 WeakPolarHBondContact O-CB 3.28Å; E452-T456 VanDerWaalsContact O-CG2 3.27Å; E452-T456 WeakPolarHBondContact O-CG2 3.2Å; E452-T456 PolarHBondContact O-N 3.3Å; E452-T456 PolarHBondContact O-OG1 2.99Å; M453-T456 PolarHBondContact O-N 2.82Å; M453-T456 PolarHBondContact O-OG1 3.42Å; I454-T456 VanDerWaalsContact C-N 3.27Å; I454-T456 PolarHBondContact O-N 3.33Å |
| 457 | T | 90.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -95.5 | -31.9 | -175.3 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | M453 I454 V470 K471 F474 I581 | M453-T457 HydrophobicContact CG-CG2 4.42Å; M453-T457 WeakPolarHBondContact O-CB 3.32Å; M453-T457 VanDerWaalsContact O-CG2 3.28Å; M453-T457 WeakPolarHBondContact O-CG2 3.49Å; M453-T457 PolarHBondContact O-N 2.75Å; M453-T457 PolarHBondContact O-OG1 2.86Å; I454-T457 PolarHBondContact O-N 2.98Å; T457-V470 CarbonylContact O-C 3.58Å; T457-V470 WeakPolarHBondContact O-CA 3.42Å; T457-V470 WeakPolarHBondContact O-CG1 3.37Å; T457-K471 WeakPolarHBondContact O-CB 3.35Å; T457-K471 PolarHBondContact O-N 3.39Å; T457-F474 HydrophobicContact CG2-CD2 3.81Å; T457-F474 HydrophobicContact CG2-CE1 4.31Å; T457-F474 HydrophobicContact CG2-CE2 3.48Å; T457-F474 VanDerWaalsContact CG2-CE2 3.48Å; T457-F474 HydrophobicContact CG2-CG 4.37Å; T457-F474 HydrophobicContact CG2-CZ 3.75Å; T457-I581 HydrophobicContact CG2-CD1 4.13Å |
| 458 | L | 89.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 132.6 | -169.8 | -161.2 | 155.2 | 0 | 0 | 0 | 110.7 | L401 Y405 I454 M460 V463 | L401-L458 HydrophobicContact CD1-CD1 4.02Å; L401-L458 HydrophobicContact CD2-CD1 4.33Å; L401-L458 HydrophobicContact CD2-CG 4.21Å; L401-L458 HydrophobicContact CG-CD1 3.83Å; L401-L458 HydrophobicContact CG-CG 4.27Å; Y405-L458 HydrophobicContact CD2-CD1 4.21Å; Y405-L458 HydrophobicContact CD2-CD2 4.34Å; I454-L458 HydrophobicContact CG2-CB 3.98Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 WeakPolarHBondContact O-CB 3.39Å; I454-L458 PolarHBondContact O-N 2.85Å; L458-M460 HydrophobicContact CD2-SD 4.07Å; L458-M460 PolarHBondContact O-N 3.49Å; L458-M460 VanDerWaalsContact O-N 3.08Å; L458-V463 HydrophobicContact CD2-CG2 3.22Å |
| 459 | D | 88.2 | Confident | 88.3 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | trans | -77.7 | 91.6 | 177 | -164.8 | -22 | 0 | 0 | 0 | 111.4 | D461 Q462 V463 L469 K471 | D459-D461 PolarHBondContact O-N 3.44Å; D459-D461 WeakPolarHBondContact OD1-CB 3.41Å; D459-D461 PolarHBondContact OD1-N 2.76Å; D459-D461 VanDerWaalsContact OD1-N 3.15Å; D459-Q462 HydrophobicContact CB-CB 4.4Å; D459-Q462 HydrophobicContact CB-CG 4.32Å; D459-Q462 PolarHBondContact O-N 3.14Å; D459-V463 WeakPolarHBondContact O-CG2 3.44Å; D459-V463 PolarHBondContact O-N 2.88Å; D459-L469 HydrophobicContact CB-CB 4.5Å; D459-L469 PolarHBondContact N-O 2.86Å; D459-K471 HydrophobicContact CB-CB 4.41Å | ||
| 460 | M | 87.6 | Confident | 88 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 30% | 0.3 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -25 | -178.5 | -63 | -66.7 | 179 | 0 | 0 | 113.2 | Y405 Y408 I454 E455 L458 | Y405-M460 HydrophobicContact CD2-SD 4.38Å; Y405-M460 HydrophobicContact CE2-SD 3.89Å; Y408-M460 HydrophobicContact CD1-CE 4.36Å; Y408-M460 HydrophobicContact CE1-CE 3.82Å; I454-M460 HydrophobicContact CG2-CE 4.36Å; E455-M460 HydrophobicContact CG-CE 4.45Å; L458-M460 HydrophobicContact CD2-SD 4.07Å; L458-M460 PolarHBondContact O-N 3.49Å; L458-M460 VanDerWaalsContact O-N 3.08Å |
| 461 | D | 85.2 | Confident | 87.6 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.2 | -35.3 | 179.6 | -61.7 | -32.2 | 0 | 0 | 0 | 111 | D459 | D459-D461 PolarHBondContact O-N 3.44Å; D459-D461 WeakPolarHBondContact OD1-CB 3.41Å; D459-D461 PolarHBondContact OD1-N 2.76Å; D459-D461 VanDerWaalsContact OD1-N 3.15Å |
| 462 | Q | 81.8 | Confident | 87.3 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.9 | -22.6 | 179.4 | -60.9 | -53.7 | -40.9 | 0 | 0 | 113.1 | D459 E464 N465 E467 L469 | D459-Q462 HydrophobicContact CB-CB 4.4Å; D459-Q462 HydrophobicContact CB-CG 4.32Å; D459-Q462 PolarHBondContact O-N 3.14Å; Q462-E464 PolarHBondContact O-N 3.19Å; Q462-N465 WeakPolarHBondContact O-CA 3.36Å; Q462-N465 WeakPolarHBondContact O-CB 3.49Å; Q462-N465 PolarHBondContact O-N 3.4Å; Q462-N465 PolarHBondContact OE1-ND2 3.04Å; Q462-E467 CarbonylContact C-O 3.57Å; Q462-E467 HydrophobicContact CB-CB 4.23Å; Q462-E467 PolarHBondContact O-N 3.46Å; Q462-E467 VanDerWaalsContact O-N 3.09Å; Q462-L469 HydrophobicContact CB-CD1 4.4Å; Q462-L469 HydrophobicContact CG-CD1 4.24Å |
| 463 | V | 85.4 | Confident | 87 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -34.7 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | Y405 L458 D459 N465 H466 E467 F468 | Y405-V463 HydrophobicContact CD1-CG1 4.1Å; Y405-V463 HydrophobicContact CD2-CG1 4.45Å; Y405-V463 HydrophobicContact CD2-CG2 4.46Å; Y405-V463 HydrophobicContact CE1-CG1 3.55Å; Y405-V463 HydrophobicContact CE2-CG1 3.98Å; Y405-V463 HydrophobicContact CE2-CG2 4.42Å; Y405-V463 HydrophobicContact CG-CG1 4.5Å; L458-V463 HydrophobicContact CD2-CG2 3.22Å; D459-V463 WeakPolarHBondContact O-CG2 3.44Å; D459-V463 PolarHBondContact O-N 2.88Å; V463-N465 PolarHBondContact O-N 3.4Å; V463-H466 WeakPolarHBondContact O-CA 3.22Å; V463-H466 PolarHBondContact O-N 3.11Å; V463-E467 WeakPolarHBondContact CA-O 3.33Å; V463-E467 PolarHBondContact N-O 3.3Å; V463-F468 HydrophobicContact CG1-CD1 4.3Å; V463-F468 HydrophobicContact CG1-CE1 3.77Å; V463-F468 HydrophobicContact CG2-CD1 4.02Å; V463-F468 HydrophobicContact CG2-CE1 4.31Å |
| 464 | E | 81.9 | Confident | 86.7 | Confident | 163 Ų | 163 | 63.2 Ų | 63.2 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.2 | 175.6 | -62.9 | -169.4 | 168.1 | 0 | 0 | 112 | Q462 H466 | Q462-E464 PolarHBondContact O-N 3.19Å; E464-H466 PolarHBondContact O-N 3.37Å |
| 465 | N | 78.9 | Confident | 86.5 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.9 | 175.1 | -59.7 | -38.4 | 0 | 0 | 0 | 113.4 | Q462 V463 E467 | Q462-N465 WeakPolarHBondContact O-CA 3.36Å; Q462-N465 WeakPolarHBondContact O-CB 3.49Å; Q462-N465 PolarHBondContact O-N 3.4Å; Q462-N465 PolarHBondContact OE1-ND2 3.04Å; V463-N465 PolarHBondContact O-N 3.4Å; N465-E467 PolarHBondContact O-N 2.96Å |
| 466 | H | 79 | Confident | 86.3 | Confident | 160 Ų | 160 | 65.2 Ų | 65.2 | 74% | 0.741 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 25.1 | -170.4 | -65.7 | 56.4 | 0 | 0 | 0 | 113.6 | V463 E464 | V463-H466 WeakPolarHBondContact O-CA 3.22Å; V463-H466 PolarHBondContact O-N 3.11Å; E464-H466 PolarHBondContact O-N 3.37Å |
| 467 | E | 78.6 | Confident | 86.1 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | trans | -107.8 | 120.4 | 172.1 | -73.3 | -169.7 | 171.5 | 0 | 0 | 110.4 | Q462 V463 N465 L469 | Q462-E467 CarbonylContact C-O 3.57Å; Q462-E467 HydrophobicContact CB-CB 4.23Å; Q462-E467 PolarHBondContact O-N 3.46Å; Q462-E467 VanDerWaalsContact O-N 3.09Å; V463-E467 WeakPolarHBondContact CA-O 3.33Å; V463-E467 PolarHBondContact N-O 3.3Å; N465-E467 PolarHBondContact O-N 2.96Å; E467-L469 HydrophobicContact CB-CD1 4.44Å; E467-L469 HydrophobicContact CB-CG 4.31Å | ||
| 468 | F | 85.5 | Confident | 86 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | trans | -100.4 | 94 | 179.4 | -56.3 | -86.6 | 0 | 0 | 0 | 108.3 | L401 Q402 Y405 V463 | L401-F468 HydrophobicContact CB-CB 4.18Å; L401-F468 HydrophobicContact CD2-CB 4.38Å; L401-F468 HydrophobicContact CG-CB 4.36Å; Q402-F468 HydrophobicContact CB-CD1 4.13Å; Q402-F468 HydrophobicContact CB-CD2 3.65Å; Q402-F468 HydrophobicContact CB-CE1 4.25Å; Q402-F468 HydrophobicContact CB-CE2 3.78Å; Q402-F468 HydrophobicContact CB-CG 3.84Å; Q402-F468 HydrophobicContact CB-CZ 4.09Å; Q402-F468 HydrophobicContact CG-CD1 4.45Å; Q402-F468 HydrophobicContact CG-CD2 4.02Å; Q402-F468 HydrophobicContact CG-CE1 4.06Å; Q402-F468 HydrophobicContact CG-CE2 3.59Å; Q402-F468 HydrophobicContact CG-CG 4.44Å; Q402-F468 HydrophobicContact CG-CZ 3.62Å; Y405-F468 HydrophobicContact CD1-CD1 4.35Å; Y405-F468 AromaticContact CD1-CE1 3.62Å; Y405-F468 HydrophobicContact CD1-CE1 3.62Å; Y405-F468 HydrophobicContact CE1-CE1 4.28Å; Y405-F468 HydrophobicContact CG-CD1 4.3Å; Y405-F468 HydrophobicContact CG-CE1 4.01Å; V463-F468 HydrophobicContact CG1-CD1 4.3Å; V463-F468 HydrophobicContact CG1-CE1 3.77Å; V463-F468 HydrophobicContact CG2-CD1 4.02Å; V463-F468 HydrophobicContact CG2-CE1 4.31Å | ||
| 469 | L | 84.3 | Confident | 86.1 | Confident | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | trans | -115.6 | 156.7 | -176.5 | -59.6 | 179 | 0 | 0 | 0 | 111.4 | D459 Q462 E467 | D459-L469 HydrophobicContact CB-CB 4.5Å; D459-L469 PolarHBondContact N-O 2.86Å; Q462-L469 HydrophobicContact CB-CD1 4.4Å; Q462-L469 HydrophobicContact CG-CD1 4.24Å; E467-L469 HydrophobicContact CB-CD1 4.44Å; E467-L469 HydrophobicContact CB-CG 4.31Å | ||
| 470 | V | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 136.2 | 169.1 | 178 | 0 | 0 | 0 | 0 | 108 | L401 T457 P472 F474 L478 Y570 Q574 I577 V578 | L401-V470 HydrophobicContact CD2-CG2 4.28Å; T457-V470 CarbonylContact O-C 3.58Å; T457-V470 WeakPolarHBondContact O-CA 3.42Å; T457-V470 WeakPolarHBondContact O-CG1 3.37Å; V470-P472 WeakPolarHBondContact O-CD 3.36Å; V470-F474 HydrophobicContact CG1-CB 4.4Å; V470-F474 HydrophobicContact CG1-CD1 4.26Å; V470-L478 HydrophobicContact CB-CD1 4.12Å; V470-L478 HydrophobicContact CG1-CD1 3.88Å; V470-Y570 PolarHBondContact O-OH 3.13Å; V470-Q574 HydrophobicContact CB-CG 3.96Å; V470-Q574 HydrophobicContact CG2-CG 3.65Å; V470-I577 HydrophobicContact CG1-CG2 4.38Å; V470-I577 HydrophobicContact CG2-CG2 4.41Å; V470-V578 HydrophobicContact CG2-CG2 3.78Å |
| 471 | K | 89.3 | Confident | 86.2 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | trans | -59.7 | 121.1 | 178.4 | -168.4 | 177.6 | -174.7 | 173.2 | 0 | 109.3 | T457 D459 S473 F474 | T457-K471 WeakPolarHBondContact O-CB 3.35Å; T457-K471 PolarHBondContact O-N 3.39Å; D459-K471 HydrophobicContact CB-CB 4.41Å; K471-S473 WeakPolarHBondContact CD-OG 3.06Å; K471-S473 VanDerWaalsContact CE-OG 3.22Å; K471-S473 WeakPolarHBondContact CE-OG 3.36Å; K471-S473 WeakPolarHBondContact CG-OG 3.38Å; K471-S473 PolarHBondContact O-N 2.92Å; K471-S473 VanDerWaalsContact O-N 3.09Å; K471-F474 WeakPolarHBondContact O-CB 3.26Å; K471-F474 PolarHBondContact O-N 3.06Å | ||
| 472 | P | 87.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.4 | -176.7 | -25.2 | 32.2 | 0 | 0 | 0 | 113.4 | V470 F474 S479 R482 | V470-P472 WeakPolarHBondContact O-CD 3.36Å; P472-F474 PolarHBondContact O-N 3.41Å; P472-S479 WeakPolarHBondContact O-CA 3.45Å; P472-S479 WeakPolarHBondContact O-CB 3.23Å; P472-S479 PolarHBondContact O-N 3.39Å; P472-R482 HydrophobicContact CB-CB 4.01Å; P472-R482 HydrophobicContact CB-CG 4.18Å; P472-R482 HydrophobicContact CG-CB 4.19Å; P472-R482 HydrophobicContact CG-CG 3.89Å |
| 473 | S | 88.3 | Confident | 86.6 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -71.1 | -7.2 | 178.5 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | K471 | K471-S473 WeakPolarHBondContact CD-OG 3.06Å; K471-S473 VanDerWaalsContact CE-OG 3.22Å; K471-S473 WeakPolarHBondContact CE-OG 3.36Å; K471-S473 WeakPolarHBondContact CG-OG 3.38Å; K471-S473 PolarHBondContact O-N 2.92Å; K471-S473 VanDerWaalsContact O-N 3.09Å |
| 474 | F | 89.4 | Confident | 86.9 | Confident | 99 Ų | 99 | 73.8 Ų | 73.8 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -76.2 | -38.1 | 179.4 | 178.7 | -100.4 | 0 | 0 | 0 | 111.8 | T457 V470 K471 P472 I577 | T457-F474 HydrophobicContact CG2-CD2 3.81Å; T457-F474 HydrophobicContact CG2-CE1 4.31Å; T457-F474 HydrophobicContact CG2-CE2 3.48Å; T457-F474 VanDerWaalsContact CG2-CE2 3.48Å; T457-F474 HydrophobicContact CG2-CG 4.37Å; T457-F474 HydrophobicContact CG2-CZ 3.75Å; V470-F474 HydrophobicContact CG1-CB 4.4Å; V470-F474 HydrophobicContact CG1-CD1 4.26Å; K471-F474 WeakPolarHBondContact O-CB 3.26Å; K471-F474 PolarHBondContact O-N 3.06Å; P472-F474 PolarHBondContact O-N 3.41Å; F474-I577 HydrophobicContact CD1-CG2 4.4Å; F474-I577 HydrophobicContact CE1-CG2 3.97Å |
| 475 | D | 89.6 | Confident | 87.2 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -125.6 | 126.5 | -177.5 | 173.4 | 56.7 | 0 | 0 | 0 | 110.3 | N477 L478 S479 I577 | D475-N477 PolarHBondContact O-N 3.31Å; D475-N477 VanDerWaalsContact OD2-CB 3.31Å; D475-N477 WeakPolarHBondContact OD2-CB 3.27Å; D475-N477 PolarHBondContact OD2-N 3.48Å; D475-L478 HydrophobicContact CB-CB 4.18Å; D475-L478 HydrophobicContact CB-CD1 4.19Å; D475-L478 HydrophobicContact CB-CG 4.07Å; D475-L478 PolarHBondContact O-N 3.44Å; D475-L478 PolarHBondContact OD2-N 3.35Å; D475-S479 PolarHBondContact O-N 2.91Å; D475-I577 HydrophobicContact CB-CD1 4.04Å |
| 476 | P | 89.1 | Confident | 87.6 | Confident | 93 Ų | 93 | 64 Ų | 64 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.8 | -35.5 | -178.4 | 21.7 | -34.2 | 0 | 0 | 0 | 113.1 | S479 E480 | P476-S479 WeakPolarHBondContact O-CB 3.35Å; P476-S479 PolarHBondContact O-N 2.88Å; P476-E480 WeakPolarHBondContact O-CG 3.48Å; P476-E480 PolarHBondContact O-N 3.08Å |
| 477 | N | 89.2 | Confident | 88.3 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 178.9 | 178.1 | 52.5 | 0 | 0 | 0 | 111.6 | D475 S479 E480 L481 | D475-N477 PolarHBondContact O-N 3.31Å; D475-N477 VanDerWaalsContact OD2-CB 3.31Å; D475-N477 WeakPolarHBondContact OD2-CB 3.27Å; D475-N477 PolarHBondContact OD2-N 3.48Å; N477-S479 VanDerWaalsContact C-N 3.31Å; N477-S479 PolarHBondContact O-N 3.26Å; N477-E480 PolarHBondContact O-N 3.43Å; N477-L481 WeakPolarHBondContact O-CB 3.31Å; N477-L481 WeakPolarHBondContact O-CG 3.5Å; N477-L481 PolarHBondContact O-N 3.19Å |
| 478 | L | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 171.4 | -67.7 | -174.6 | 0 | 0 | 0 | 112.5 | V470 D475 R482 Y570 A573 Q574 I577 | V470-L478 HydrophobicContact CB-CD1 4.12Å; V470-L478 HydrophobicContact CG1-CD1 3.88Å; D475-L478 HydrophobicContact CB-CB 4.18Å; D475-L478 HydrophobicContact CB-CD1 4.19Å; D475-L478 HydrophobicContact CB-CG 4.07Å; D475-L478 PolarHBondContact O-N 3.44Å; D475-L478 PolarHBondContact OD2-N 3.35Å; L478-R482 VanDerWaalsContact O-CB 3.31Å; L478-R482 WeakPolarHBondContact O-CB 3.39Å; L478-R482 PolarHBondContact O-N 3.02Å; L478-Y570 HydrophobicContact CB-CD2 4.44Å; L478-Y570 HydrophobicContact CB-CE2 3.88Å; L478-Y570 HydrophobicContact CD2-CD2 3.71Å; L478-Y570 HydrophobicContact CD2-CE2 3.73Å; L478-Y570 HydrophobicContact CD2-CG 4.15Å; L478-Y570 HydrophobicContact CG-CE2 4.31Å; L478-Y570 WeakPolarHBondContact O-CE2 3.49Å; L478-A573 HydrophobicContact CD2-CB 3.93Å; L478-Q574 HydrophobicContact CD2-CB 4.33Å; L478-I577 HydrophobicContact CD1-CD1 3.75Å; L478-I577 HydrophobicContact CG-CD1 4.4Å |
| 479 | S | 90.4 | Very high | 89.1 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 177.5 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | P472 D475 P476 N477 R482 E483 | P472-S479 WeakPolarHBondContact O-CA 3.45Å; P472-S479 WeakPolarHBondContact O-CB 3.23Å; P472-S479 PolarHBondContact O-N 3.39Å; D475-S479 PolarHBondContact O-N 2.91Å; P476-S479 WeakPolarHBondContact O-CB 3.35Å; P476-S479 PolarHBondContact O-N 2.88Å; N477-S479 VanDerWaalsContact C-N 3.31Å; N477-S479 PolarHBondContact O-N 3.26Å; S479-R482 PolarHBondContact O-N 3.19Å; S479-E483 PolarHBondContact O-N 3.42Å |
| 480 | E | 90.4 | Very high | 89.4 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.9 | -48.1 | 178.3 | -73.8 | 179.3 | -169.8 | 0 | 0 | 111.3 | P476 N477 R482 E483 I484 | P476-E480 WeakPolarHBondContact O-CG 3.48Å; P476-E480 PolarHBondContact O-N 3.08Å; N477-E480 PolarHBondContact O-N 3.43Å; E480-R482 VanDerWaalsContact C-N 3.32Å; E480-R482 PolarHBondContact O-N 2.69Å; E480-E483 PolarHBondContact O-N 3.37Å; E480-I484 WeakPolarHBondContact O-CG1 3.37Å; E480-I484 PolarHBondContact O-N 3.39Å |
| 481 | L | 88.6 | Confident | 89.6 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 178 | -72.3 | 170.8 | 0 | 0 | 0 | 112 | N477 I484 M485 N566 E569 Y570 | N477-L481 WeakPolarHBondContact O-CB 3.31Å; N477-L481 WeakPolarHBondContact O-CG 3.5Å; N477-L481 PolarHBondContact O-N 3.19Å; L481-I484 PolarHBondContact O-N 3.17Å; L481-M485 WeakPolarHBondContact O-CB 3.36Å; L481-M485 WeakPolarHBondContact O-CG 3.1Å; L481-M485 PolarHBondContact O-N 3.24Å; L481-N566 HydrophobicContact CD2-CB 4.28Å; L481-E569 HydrophobicContact CD1-CG 4.22Å; L481-Y570 HydrophobicContact CB-CD2 3.83Å |
| 482 | R | 86.3 | Confident | 89.7 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 176.3 | -173.7 | 61.9 | 172.4 | -178.9 | 0.9 | 112.1 | P472 L478 S479 E480 M485 N486 Y570 | P472-R482 HydrophobicContact CB-CB 4.01Å; P472-R482 HydrophobicContact CB-CG 4.18Å; P472-R482 HydrophobicContact CG-CB 4.19Å; P472-R482 HydrophobicContact CG-CG 3.89Å; L478-R482 VanDerWaalsContact O-CB 3.31Å; L478-R482 WeakPolarHBondContact O-CB 3.39Å; L478-R482 PolarHBondContact O-N 3.02Å; S479-R482 PolarHBondContact O-N 3.19Å; E480-R482 VanDerWaalsContact C-N 3.32Å; E480-R482 PolarHBondContact O-N 2.69Å; R482-M485 PolarHBondContact O-N 3.03Å; R482-N486 WeakPolarHBondContact O-CB 3.37Å; R482-N486 PolarHBondContact O-N 3.41Å; R482-N486 PolarHBondContact O-ND2 2.94Å; R482-Y570 HydrophobicContact CB-CE2 4.11Å |
| 483 | E | 89.5 | Confident | 89.8 | Confident | 143 Ų | 143 | 66.1 Ų | 66.1 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 175.3 | -170.8 | 171.9 | -176 | 0 | 0 | 111.2 | S479 E480 N486 D487 | S479-E483 PolarHBondContact O-N 3.42Å; E480-E483 PolarHBondContact O-N 3.37Å; E483-N486 PolarHBondContact O-N 2.94Å; E483-D487 WeakPolarHBondContact O-CB 3.23Å; E483-D487 PolarHBondContact O-N 3.44Å |
| 484 | I | 91.3 | Very high | 89.9 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 174.7 | -66 | 165.4 | 0 | 0 | 0 | 110.7 | E480 L481 N486 D487 L488 | E480-I484 WeakPolarHBondContact O-CG1 3.37Å; E480-I484 PolarHBondContact O-N 3.39Å; L481-I484 PolarHBondContact O-N 3.17Å; I484-N486 PolarHBondContact O-N 3.47Å; I484-D487 PolarHBondContact O-N 2.91Å; I484-L488 HydrophobicContact CG2-CD1 3.83Å; I484-L488 HydrophobicContact CG2-CG 4.34Å; I484-L488 WeakPolarHBondContact O-CB 3.33Å; I484-L488 VanDerWaalsContact O-CG 3.27Å; I484-L488 WeakPolarHBondContact O-CG 3.35Å; I484-L488 PolarHBondContact O-N 3.02Å |
| 485 | M | 87.1 | Confident | 89.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 178.2 | -76.9 | -169.4 | -65.6 | 0 | 0 | 112.3 | L481 R482 D487 L488 E489 Y563 N566 K567 Y570 | L481-M485 WeakPolarHBondContact O-CB 3.36Å; L481-M485 WeakPolarHBondContact O-CG 3.1Å; L481-M485 PolarHBondContact O-N 3.24Å; R482-M485 PolarHBondContact O-N 3.03Å; M485-D487 VanDerWaalsContact C-N 3.32Å; M485-D487 PolarHBondContact O-N 3.31Å; M485-L488 PolarHBondContact O-N 3.14Å; M485-E489 WeakPolarHBondContact O-CG 3.19Å; M485-E489 PolarHBondContact O-N 3.09Å; M485-Y563 HydrophobicContact CB-CD2 4.27Å; M485-Y563 HydrophobicContact CB-CE2 3.75Å; M485-Y563 HydrophobicContact CG-CD2 4.18Å; M485-Y563 HydrophobicContact CG-CE2 3.87Å; M485-Y563 HydrophobicContact SD-CE2 4.28Å; M485-N566 HydrophobicContact CG-CB 4.11Å; M485-K567 HydrophobicContact SD-CB 3.94Å; M485-K567 HydrophobicContact SD-CG 4.5Å; M485-Y570 HydrophobicContact CE-CD1 4.13Å; M485-Y570 HydrophobicContact CE-CD2 3.54Å; M485-Y570 HydrophobicContact CE-CE2 4.09Å; M485-Y570 HydrophobicContact CE-CG 3.56Å |
| 486 | N | 87.9 | Confident | 90 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 177.6 | -74.5 | -20.2 | 0 | 0 | 0 | 112.1 | R482 E483 I484 K490 | R482-N486 WeakPolarHBondContact O-CB 3.37Å; R482-N486 PolarHBondContact O-N 3.41Å; R482-N486 PolarHBondContact O-ND2 2.94Å; E483-N486 PolarHBondContact O-N 2.94Å; I484-N486 PolarHBondContact O-N 3.47Å; N486-K490 WeakPolarHBondContact O-CG 3.31Å; N486-K490 PolarHBondContact O-N 3.28Å; N486-K490 VanDerWaalsContact O-N 3.15Å |
| 487 | D | 92.9 | Very high | 90 | Very high | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.4 | 179.8 | 59 | 0 | 0 | 0 | 111.8 | E483 I484 M485 K490 K491 | E483-D487 WeakPolarHBondContact O-CB 3.23Å; E483-D487 PolarHBondContact O-N 3.44Å; I484-D487 PolarHBondContact O-N 2.91Å; M485-D487 VanDerWaalsContact C-N 3.32Å; M485-D487 PolarHBondContact O-N 3.31Å; D487-K490 PolarHBondContact O-N 3.24Å; D487-K491 WeakPolarHBondContact O-CB 3.28Å; D487-K491 WeakPolarHBondContact O-CG 3.37Å; D487-K491 PolarHBondContact O-N 3.27Å; D487-K491 WeakPolarHBondContact OD2-CE 3.5Å; D487-K491 IonicContact OD2-NZ 3.39Å; D487-K491 PolarHBondContact OD2-NZ 3Å |
| 488 | L | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174 | -73.3 | 170.3 | 0 | 0 | 0 | 112 | I484 M485 K490 K491 M492 L559 E562 Y563 | I484-L488 HydrophobicContact CG2-CD1 3.83Å; I484-L488 HydrophobicContact CG2-CG 4.34Å; I484-L488 WeakPolarHBondContact O-CB 3.33Å; I484-L488 VanDerWaalsContact O-CG 3.27Å; I484-L488 WeakPolarHBondContact O-CG 3.35Å; I484-L488 PolarHBondContact O-N 3.02Å; M485-L488 PolarHBondContact O-N 3.14Å; L488-K490 PolarHBondContact O-N 3.37Å; L488-K491 CarbonylContact O-C 3.58Å; L488-K491 WeakPolarHBondContact O-CB 3.3Å; L488-K491 PolarHBondContact O-N 3.16Å; L488-M492 VanDerWaalsContact O-CG 3.27Å; L488-M492 WeakPolarHBondContact O-CG 3.38Å; L488-M492 PolarHBondContact O-N 3.33Å; L488-L559 HydrophobicContact CD2-CD2 3.68Å; L488-E562 HydrophobicContact CD1-CB 4.36Å; L488-E562 HydrophobicContact CD1-CG 3.99Å; L488-E562 HydrophobicContact CD2-CG 4.34Å; L488-Y563 HydrophobicContact CB-CD2 4.02Å; L488-Y563 HydrophobicContact CD1-CD2 4.38Å |
| 489 | E | 89.6 | Confident | 89.8 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.2 | -76.1 | -173.3 | 166.3 | 0 | 0 | 111.9 | M485 K491 M492 Q493 Y521 Y563 | M485-E489 WeakPolarHBondContact O-CG 3.19Å; M485-E489 PolarHBondContact O-N 3.09Å; E489-K491 VanDerWaalsContact C-N 3.34Å; E489-K491 PolarHBondContact O-N 2.65Å; E489-M492 PolarHBondContact O-N 2.92Å; E489-Q493 WeakPolarHBondContact O-CB 3.28Å; E489-Q493 PolarHBondContact O-N 2.84Å; E489-Y521 HydrophobicContact CG-CE2 4.36Å; E489-Y521 PolarHBondContact OE1-OH 3.01Å; E489-Y563 HydrophobicContact CG-CD2 4.38Å; E489-Y563 HydrophobicContact CG-CE2 3.71Å; E489-Y563 PolarHBondContact OE1-OH 3.46Å |
| 490 | K | 91.2 | Very high | 89.6 | Confident | 143 Ų | 143 | 56 Ų | 56 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 173.8 | -72.5 | 172.3 | -175.6 | 171.7 | 0 | 111.6 | N486 D487 L488 Q493 S494 | N486-K490 WeakPolarHBondContact O-CG 3.31Å; N486-K490 PolarHBondContact O-N 3.28Å; N486-K490 VanDerWaalsContact O-N 3.15Å; D487-K490 PolarHBondContact O-N 3.24Å; L488-K490 PolarHBondContact O-N 3.37Å; K490-Q493 PolarHBondContact O-N 3.15Å; K490-S494 PolarHBondContact O-N 2.78Å |
| 491 | K | 92.7 | Very high | 89.4 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.4 | -75.4 | 168.3 | 175.6 | 167.1 | 0 | 111.4 | D487 L488 E489 S494 T495 L559 | D487-K491 WeakPolarHBondContact O-CB 3.28Å; D487-K491 WeakPolarHBondContact O-CG 3.37Å; D487-K491 PolarHBondContact O-N 3.27Å; D487-K491 WeakPolarHBondContact OD2-CE 3.5Å; D487-K491 IonicContact OD2-NZ 3.39Å; D487-K491 PolarHBondContact OD2-NZ 3Å; L488-K491 CarbonylContact O-C 3.58Å; L488-K491 WeakPolarHBondContact O-CB 3.3Å; L488-K491 PolarHBondContact O-N 3.16Å; E489-K491 VanDerWaalsContact C-N 3.34Å; E489-K491 PolarHBondContact O-N 2.65Å; K491-S494 WeakPolarHBondContact O-CB 3.35Å; K491-S494 PolarHBondContact O-N 3.31Å; K491-S494 PolarHBondContact O-OG 2.87Å; K491-T495 WeakPolarHBondContact O-CG2 3.47Å; K491-T495 PolarHBondContact O-N 2.81Å; K491-T495 VanDerWaalsContact O-N 3.08Å; K491-L559 HydrophobicContact CB-CD1 4.12Å; K491-L559 HydrophobicContact CB-CD2 4.26Å; K491-L559 HydrophobicContact CD-CD2 4.45Å |
| 492 | M | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 174.3 | -69.5 | -179.2 | 173.9 | 0 | 0 | 112.4 | L488 E489 S494 T495 L496 L513 Y521 L556 L559 N560 Y563 | L488-M492 VanDerWaalsContact O-CG 3.27Å; L488-M492 WeakPolarHBondContact O-CG 3.38Å; L488-M492 PolarHBondContact O-N 3.33Å; E489-M492 PolarHBondContact O-N 2.92Å; M492-S494 VanDerWaalsContact C-N 3.28Å; M492-S494 PolarHBondContact O-N 3.4Å; M492-T495 PolarHBondContact O-N 3.24Å; M492-T495 PolarHBondContact O-OG1 3.36Å; M492-L496 PolarHBondContact O-N 3.27Å; M492-L496 VanDerWaalsContact O-N 3.1Å; M492-L513 HydrophobicContact CB-CD2 3.97Å; M492-Y521 HydrophobicContact CE-CD2 3.95Å; M492-Y521 HydrophobicContact CE-CG 4.41Å; M492-Y521 HydrophobicContact SD-CD1 4.42Å; M492-Y521 HydrophobicContact SD-CD2 3.44Å; M492-Y521 WeakPolarHBondContact SD-CD2 3.31Å; M492-Y521 HydrophobicContact SD-CE2 4.08Å; M492-Y521 HydrophobicContact SD-CG 3.62Å; M492-L556 HydrophobicContact CB-CD1 4.01Å; M492-L556 HydrophobicContact CG-CD1 3.76Å; M492-L556 HydrophobicContact SD-CD1 4.16Å; M492-L559 HydrophobicContact CE-CB 3.74Å; M492-L559 WeakPolarHBondContact CE-O 3.28Å; M492-L559 HydrophobicContact CG-CB 3.9Å; M492-L559 HydrophobicContact CG-CD1 4Å; M492-N560 HydrophobicContact CE-CB 3.93Å; M492-N560 VanDerWaalsContact CE-N 3.3Å; M492-Y563 HydrophobicContact CE-CG 4.19Å |
| 493 | Q | 89.7 | Confident | 89 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.8 | -34 | 174.3 | -162.2 | 176.6 | 15.8 | 0 | 0 | 111.3 | E489 K490 T495 L496 I497 | E489-Q493 WeakPolarHBondContact O-CB 3.28Å; E489-Q493 PolarHBondContact O-N 2.84Å; K490-Q493 PolarHBondContact O-N 3.15Å; Q493-T495 VanDerWaalsContact C-N 3.33Å; Q493-T495 PolarHBondContact O-N 3.4Å; Q493-L496 WeakPolarHBondContact O-CB 3.49Å; Q493-L496 PolarHBondContact O-N 3.11Å; Q493-I497 PolarHBondContact O-N 2.81Å |
| 494 | S | 90.1 | Very high | 88.7 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 172.8 | 82.5 | 0 | 0 | 0 | 0 | 112.3 | K490 K491 M492 L496 I497 S498 | K490-S494 PolarHBondContact O-N 2.78Å; K491-S494 WeakPolarHBondContact O-CB 3.35Å; K491-S494 PolarHBondContact O-N 3.31Å; K491-S494 PolarHBondContact O-OG 2.87Å; M492-S494 VanDerWaalsContact C-N 3.28Å; M492-S494 PolarHBondContact O-N 3.4Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.08Å; S494-I497 PolarHBondContact O-N 2.88Å; S494-S498 PolarHBondContact O-N 3.04Å; S494-S498 VanDerWaalsContact O-N 3.16Å |
| 495 | T | 90.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.7 | -26.5 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | K491 M492 Q493 I497 S498 A499 K555 L559 | K491-T495 WeakPolarHBondContact O-CG2 3.47Å; K491-T495 PolarHBondContact O-N 2.81Å; K491-T495 VanDerWaalsContact O-N 3.08Å; M492-T495 PolarHBondContact O-N 3.24Å; M492-T495 PolarHBondContact O-OG1 3.36Å; Q493-T495 VanDerWaalsContact C-N 3.33Å; Q493-T495 PolarHBondContact O-N 3.4Å; T495-I497 VanDerWaalsContact C-N 3.34Å; T495-S498 WeakPolarHBondContact CA-OG 3.17Å; T495-S498 PolarHBondContact O-N 3.44Å; T495-S498 PolarHBondContact O-OG 3.49Å; T495-A499 WeakPolarHBondContact O-CB 3.38Å; T495-A499 PolarHBondContact O-N 3.41Å; T495-K555 HydrophobicContact CG2-CG 3.92Å; T495-L559 HydrophobicContact CG2-CD1 4.02Å |
| 496 | L | 91.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 169 | 178 | 67.8 | 0 | 0 | 0 | 111.1 | M492 Q493 S494 A499 A500 I511 L513 F523 | M492-L496 PolarHBondContact O-N 3.27Å; M492-L496 VanDerWaalsContact O-N 3.1Å; Q493-L496 WeakPolarHBondContact O-CB 3.49Å; Q493-L496 PolarHBondContact O-N 3.11Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.08Å; L496-A499 PolarHBondContact O-N 3.29Å; L496-A500 WeakPolarHBondContact O-CB 3.38Å; L496-A500 PolarHBondContact O-N 2.93Å; L496-I511 HydrophobicContact CD1-CB 4.44Å; L496-I511 HydrophobicContact CD1-CD1 4.12Å; L496-I511 HydrophobicContact CD1-CG1 3.78Å; L496-I511 HydrophobicContact CD1-CG2 4.16Å; L496-L513 HydrophobicContact CD2-CB 4.12Å; L496-F523 HydrophobicContact CB-CE1 3.85Å; L496-F523 HydrophobicContact CD1-CD1 3.67Å; L496-F523 HydrophobicContact CD1-CE1 3.75Å; L496-F523 HydrophobicContact CG-CE1 4.43Å |
| 497 | I | 89.9 | Confident | 88.2 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | -179.2 | -61.2 | 169.2 | 0 | 0 | 0 | 110.7 | Q493 S494 T495 R501 | Q493-I497 PolarHBondContact O-N 2.81Å; S494-I497 PolarHBondContact O-N 2.88Å; T495-I497 VanDerWaalsContact C-N 3.34Å; I497-R501 WeakPolarHBondContact O-CG 3.14Å; I497-R501 PolarHBondContact O-N 3.38Å |
| 498 | S | 87 | Confident | 87.5 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | S494 T495 A500 R501 D502 | S494-S498 PolarHBondContact O-N 3.04Å; S494-S498 VanDerWaalsContact O-N 3.16Å; T495-S498 WeakPolarHBondContact CA-OG 3.17Å; T495-S498 PolarHBondContact O-N 3.44Å; T495-S498 PolarHBondContact O-OG 3.49Å; S498-A500 VanDerWaalsContact C-N 3.3Å; S498-A500 PolarHBondContact O-N 2.93Å; S498-R501 WeakPolarHBondContact O-CB 3.32Å; S498-R501 PolarHBondContact O-N 3.39Å; S498-R501 VanDerWaalsContact O-N 3.14Å; S498-D502 VanDerWaalsContact O-CG 3.29Å; S498-D502 PolarHBondContact O-N 3.29Å |
| 499 | A | 85.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T495 L496 D502 L503 I511 F523 F539 | T495-A499 WeakPolarHBondContact O-CB 3.38Å; T495-A499 PolarHBondContact O-N 3.41Å; L496-A499 PolarHBondContact O-N 3.29Å; A499-D502 PolarHBondContact O-N 3.41Å; A499-L503 WeakPolarHBondContact O-CB 3.31Å; A499-L503 VanDerWaalsContact O-CG 3.3Å; A499-L503 WeakPolarHBondContact O-CG 3.43Å; A499-L503 PolarHBondContact O-N 3.47Å; A499-I511 HydrophobicContact CB-CD1 4.17Å; A499-F523 HydrophobicContact CB-CE2 4.03Å; A499-F523 HydrophobicContact CB-CZ 4.05Å; A499-F539 HydrophobicContact CB-CE1 3.84Å; A499-F539 HydrophobicContact CB-CZ 3.88Å |
| 500 | A | 86.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | L496 S498 G504 L505 P507 I511 | L496-A500 WeakPolarHBondContact O-CB 3.38Å; L496-A500 PolarHBondContact O-N 2.93Å; S498-A500 VanDerWaalsContact C-N 3.3Å; S498-A500 PolarHBondContact O-N 2.93Å; A500-G504 PolarHBondContact O-N 3Å; A500-L505 CarbonylContact C-O 3.53Å; A500-L505 WeakPolarHBondContact CB-O 3.23Å; A500-L505 PolarHBondContact O-N 3.31Å; A500-P507 HydrophobicContact CB-CB 3.77Å; A500-P507 HydrophobicContact CB-CG 4.22Å; A500-I511 HydrophobicContact CB-CG2 3.72Å |
| 501 | R | 85.5 | Confident | 86.4 | Confident | 198 Ų | 198 | 60.8 Ų | 60.8 | 75% | 0.747 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 174.9 | -69.8 | 178.6 | -172.9 | 172 | 3 | 112.3 | I497 S498 L503 G504 | I497-R501 WeakPolarHBondContact O-CG 3.14Å; I497-R501 PolarHBondContact O-N 3.38Å; S498-R501 WeakPolarHBondContact O-CB 3.32Å; S498-R501 PolarHBondContact O-N 3.39Å; S498-R501 VanDerWaalsContact O-N 3.14Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 3.43Å; R501-G504 PolarHBondContact O-N 3.1Å |
| 502 | D | 84.4 | Confident | 86.3 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65 | -32.2 | -178.7 | -65.4 | -17.8 | 0 | 0 | 0 | 112.4 | S498 A499 | S498-D502 VanDerWaalsContact O-CG 3.29Å; S498-D502 PolarHBondContact O-N 3.29Å; A499-D502 PolarHBondContact O-N 3.41Å |
| 503 | L | 83.3 | Confident | 86.2 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.9 | -7.3 | 179.8 | -63.9 | 173.6 | 0 | 0 | 0 | 113.6 | A499 R501 L505 I511 V532 N536 F539 F551 | A499-L503 WeakPolarHBondContact O-CB 3.31Å; A499-L503 VanDerWaalsContact O-CG 3.3Å; A499-L503 WeakPolarHBondContact O-CG 3.43Å; A499-L503 PolarHBondContact O-N 3.47Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 3.43Å; L503-L505 VanDerWaalsContact C-N 3.29Å; L503-L505 HydrophobicContact CB-CD1 3.98Å; L503-L505 HydrophobicContact CB-CG 3.99Å; L503-L505 HydrophobicContact CD1-CD1 4.35Å; L503-L505 PolarHBondContact O-N 3.21Å; L503-I511 HydrophobicContact CD1-CD1 4.09Å; L503-V532 HydrophobicContact CB-CG1 4.42Å; L503-V532 HydrophobicContact CD2-CG1 4.11Å; L503-N536 WeakPolarHBondContact CD2-ND2 3.31Å; L503-F539 HydrophobicContact CD1-CD2 4.46Å; L503-F539 HydrophobicContact CD1-CE2 4.04Å; L503-F539 HydrophobicContact CD1-CZ 4.08Å; L503-F539 HydrophobicContact CD2-CD2 3.93Å; L503-F539 HydrophobicContact CD2-CE2 3.63Å; L503-F539 HydrophobicContact CD2-CZ 4.43Å; L503-F539 HydrophobicContact CG-CD2 4.45Å; L503-F539 HydrophobicContact CG-CE2 3.79Å; L503-F539 HydrophobicContact CG-CZ 4.11Å; L503-F551 HydrophobicContact CD1-CE2 4.1Å; L503-F551 HydrophobicContact CD1-CZ 4.07Å |
| 504 | G | 83.3 | Confident | 86.2 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 31 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A500 R501 | A500-G504 PolarHBondContact O-N 3Å; R501-G504 PolarHBondContact O-N 3.1Å |
| 505 | L | 85.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | trans | -110.5 | 147.3 | -177.5 | -63.8 | 177.6 | 0 | 0 | 0 | 111 | A500 L503 Q510 I511 V525 E529 | A500-L505 CarbonylContact C-O 3.53Å; A500-L505 WeakPolarHBondContact CB-O 3.23Å; A500-L505 PolarHBondContact O-N 3.31Å; L503-L505 VanDerWaalsContact C-N 3.29Å; L503-L505 HydrophobicContact CB-CD1 3.98Å; L503-L505 HydrophobicContact CB-CG 3.99Å; L503-L505 HydrophobicContact CD1-CD1 4.35Å; L503-L505 PolarHBondContact O-N 3.21Å; L505-Q510 HydrophobicContact CB-CB 4.24Å; L505-Q510 HydrophobicContact CD2-CB 4.32Å; L505-I511 HydrophobicContact CB-CB 4.46Å; L505-I511 HydrophobicContact CB-CG2 4.11Å; L505-I511 HydrophobicContact CD1-CB 4.36Å; L505-V525 HydrophobicContact CD1-CG1 4.02Å; L505-E529 HydrophobicContact CD1-CB 4.42Å; L505-E529 HydrophobicContact CD2-CB 4.41Å; L505-E529 HydrophobicContact CD2-CG 4.06Å; L505-E529 VanDerWaalsContact CD2-OE2 3.3Å; L505-E529 WeakPolarHBondContact CD2-OE2 3.48Å | ||
| 506 | D | 83.9 | Confident | 85.5 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 122.3 | 177.1 | -77.9 | -23.7 | 0 | 0 | 0 | 111.4 | G508 K509 Q510 I511 | D506-G508 PolarHBondContact O-N 2.86Å; D506-K509 HydrophobicContact CB-CB 4.14Å; D506-K509 PolarHBondContact O-N 2.96Å; D506-Q510 VanDerWaalsContact N-OE1 3.13Å; D506-Q510 PolarHBondContact O-N 3.1Å; D506-Q510 VanDerWaalsContact O-N 3.09Å; D506-I511 PolarHBondContact O-N 2.92Å | ||
| 507 | P | 86 | Confident | 84.8 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 134.8 | 178.8 | 27.2 | -32.5 | 0 | 0 | 0 | 110.6 | A500 K509 | A500-P507 HydrophobicContact CB-CB 3.77Å; A500-P507 HydrophobicContact CB-CG 4.22Å; P507-K509 PolarHBondContact O-N 3.01Å |
| 508 | G | 78.2 | Confident | 84.2 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -13.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | D506 I511 K512 | D506-G508 PolarHBondContact O-N 2.86Å; G508-I511 PolarHBondContact N-O 3.21Å; G508-K512 WeakPolarHBondContact O-CE 3.43Å |
| 509 | K | 80.4 | Confident | 83.7 | Confident | 164 Ų | 164 | 73.6 Ų | 73.6 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -60.2 | 172.9 | -75.1 | -176.4 | -178.9 | 174 | 0 | 112.2 | D506 P507 | D506-K509 HydrophobicContact CB-CB 4.14Å; D506-K509 PolarHBondContact O-N 2.96Å; P507-K509 PolarHBondContact O-N 3.01Å |
| 510 | Q | 82.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -38.9 | -175.7 | -78 | 169.3 | -43.7 | 0 | 0 | 112.7 | L505 D506 E529 | L505-Q510 HydrophobicContact CB-CB 4.24Å; L505-Q510 HydrophobicContact CD2-CB 4.32Å; D506-Q510 VanDerWaalsContact N-OE1 3.13Å; D506-Q510 PolarHBondContact O-N 3.1Å; D506-Q510 VanDerWaalsContact O-N 3.09Å; Q510-E529 PolarHBondContact NE2-OE1 3.41Å |
| 511 | I | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.9 | 172.7 | -172.6 | 177.7 | 0 | 0 | 0 | 109.4 | L496 A499 A500 L503 L505 D506 G508 F523 V525 F551 | L496-I511 HydrophobicContact CD1-CB 4.44Å; L496-I511 HydrophobicContact CD1-CD1 4.12Å; L496-I511 HydrophobicContact CD1-CG1 3.78Å; L496-I511 HydrophobicContact CD1-CG2 4.16Å; A499-I511 HydrophobicContact CB-CD1 4.17Å; A500-I511 HydrophobicContact CB-CG2 3.72Å; L503-I511 HydrophobicContact CD1-CD1 4.09Å; L505-I511 HydrophobicContact CB-CB 4.46Å; L505-I511 HydrophobicContact CB-CG2 4.11Å; L505-I511 HydrophobicContact CD1-CB 4.36Å; D506-I511 PolarHBondContact O-N 2.92Å; G508-I511 PolarHBondContact N-O 3.21Å; I511-F523 HydrophobicContact CD1-CB 4.32Å; I511-F523 HydrophobicContact CD1-CD1 4.39Å; I511-F523 HydrophobicContact CD1-CG 4.26Å; I511-F523 HydrophobicContact CG1-CB 4.32Å; I511-V525 HydrophobicContact CB-CG1 3.96Å; I511-V525 HydrophobicContact CG1-CG1 4.03Å; I511-F551 HydrophobicContact CD1-CE2 4.35Å; I511-F551 HydrophobicContact CD1-CZ 3.76Å; I511-F551 HydrophobicContact CG1-CZ 4.18Å |
| 512 | K | 89.3 | Confident | 84.1 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.4 | -180 | -65.8 | -178.1 | 176 | -175.3 | 0 | 110.5 | G508 F523 R524 | G508-K512 WeakPolarHBondContact O-CE 3.43Å; K512-F523 CarbonylContact O-C 3.52Å; K512-F523 WeakPolarHBondContact O-CA 3.44Å; K512-R524 PolarHBondContact N-O 3.11Å; K512-R524 PolarHBondContact O-N 3.21Å |
| 513 | L | 90.1 | Very high | 84.5 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.8 | 165 | -171.8 | 69.7 | 0 | 0 | 0 | 107.6 | M492 L496 Y521 F523 L556 | M492-L513 HydrophobicContact CB-CD2 3.97Å; L496-L513 HydrophobicContact CD2-CB 4.12Å; L513-Y521 HydrophobicContact CD1-CD1 4.32Å; L513-Y521 HydrophobicContact CD2-CD1 4.08Å; L513-Y521 HydrophobicContact CD2-CE1 4.43Å; L513-Y521 HydrophobicContact CG-CD1 3.95Å; L513-F523 HydrophobicContact CD1-CD1 4.01Å; L513-F523 HydrophobicContact CD1-CE1 3.94Å; L513-L556 HydrophobicContact CD1-CD1 4.13Å; L513-L556 HydrophobicContact CD1-CD2 4.2Å |
| 514 | D | 88.3 | Confident | 84.8 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.5 | -176.4 | -163.6 | 2 | 0 | 0 | 0 | 108.2 | Y521 Y522 R524 | D514-Y521 WeakPolarHBondContact O-CA 3.36Å; D514-Y522 HydrophobicContact CB-CD2 4.31Å; D514-Y522 HydrophobicContact CB-CE2 3.67Å; D514-Y522 PolarHBondContact N-O 3.39Å; D514-Y522 PolarHBondContact O-N 2.89Å; D514-Y522 PolarHBondContact OD2-OH 3.08Å; D514-R524 HydrophobicContact CB-CB 4.44Å; D514-R524 IonicContact OD2-NH1 3.07Å; D514-R524 PolarHBondContact OD2-NH1 3.21Å |
| 515 | S | 84.4 | Confident | 85 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | G520 | S515-G520 CarbonylContact C-O 3.55Å; S515-G520 WeakPolarHBondContact CA-O 3.27Å |
| 516 | S | 82.2 | Confident | 85 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.6 | 168.9 | 70 | 0 | 0 | 0 | 0 | 112.3 | Q518 F519 G520 Y522 | S516-Q518 VanDerWaalsContact C-N 3.26Å; S516-Q518 PolarHBondContact O-N 3Å; S516-F519 PolarHBondContact O-N 3.35Å; S516-F519 WeakPolarHBondContact OG-CD2 3.21Å; S516-F519 PolarHBondContact OG-N 2.73Å; S516-G520 PolarHBondContact N-O 3.11Å; S516-G520 WeakPolarHBondContact O-CA 3.27Å; S516-G520 PolarHBondContact O-N 3.18Å; S516-Y522 WeakPolarHBondContact OG-CE1 3.46Å |
| 517 | T | 75.7 | Confident | 84.8 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 95% | 0.951 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.8 | 176.7 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 518 | Q | 76.9 | Confident | 84.5 | Confident | 162 Ų | 162 | 69.2 Ų | 69.2 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -31.8 | 179.7 | -80.4 | -179.4 | -17.4 | 0 | 0 | 114.8 | S516 | S516-Q518 VanDerWaalsContact C-N 3.26Å; S516-Q518 PolarHBondContact O-N 3Å |
| 519 | F | 78.1 | Confident | 84.4 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 33% | 0.333 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -5.5 | -168.1 | -56.4 | -64 | 0 | 0 | 0 | 113.7 | S516 Y522 V542 D543 N560 | S516-F519 PolarHBondContact O-N 3.35Å; S516-F519 WeakPolarHBondContact OG-CD2 3.21Å; S516-F519 PolarHBondContact OG-N 2.73Å; F519-Y522 HydrophobicContact CB-CD1 4.21Å; F519-V542 HydrophobicContact CB-CG1 4.37Å; F519-V542 HydrophobicContact CD1-CG1 3.49Å; F519-V542 VanDerWaalsContact CD1-CG1 3.49Å; F519-V542 HydrophobicContact CD2-CG1 4.36Å; F519-V542 HydrophobicContact CE1-CG1 3.76Å; F519-V542 HydrophobicContact CG-CG1 3.83Å; F519-V542 HydrophobicContact CZ-CG1 4.31Å; F519-D543 HydrophobicContact CE2-CB 4.3Å; F519-N560 PolarHBondContact O-ND2 3.05Å |
| 520 | G | 85.3 | Confident | 84.4 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | -142.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S515 S516 Y522 | S515-G520 CarbonylContact C-O 3.55Å; S515-G520 WeakPolarHBondContact CA-O 3.27Å; S516-G520 PolarHBondContact N-O 3.11Å; S516-G520 WeakPolarHBondContact O-CA 3.27Å; S516-G520 PolarHBondContact O-N 3.18Å; G520-Y522 WeakPolarHBondContact O-CD1 3.42Å |
| 521 | Y | 89.9 | Confident | 84.3 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 131.2 | 178 | -77.9 | -74.9 | 0 | 0 | 0 | 112.9 | E489 M492 L513 D514 N560 Y563 | E489-Y521 HydrophobicContact CG-CE2 4.36Å; E489-Y521 PolarHBondContact OE1-OH 3.01Å; M492-Y521 HydrophobicContact CE-CD2 3.95Å; M492-Y521 HydrophobicContact CE-CG 4.41Å; M492-Y521 HydrophobicContact SD-CD1 4.42Å; M492-Y521 HydrophobicContact SD-CD2 3.44Å; M492-Y521 WeakPolarHBondContact SD-CD2 3.31Å; M492-Y521 HydrophobicContact SD-CE2 4.08Å; M492-Y521 HydrophobicContact SD-CG 3.62Å; L513-Y521 HydrophobicContact CD1-CD1 4.32Å; L513-Y521 HydrophobicContact CD2-CD1 4.08Å; L513-Y521 HydrophobicContact CD2-CE1 4.43Å; L513-Y521 HydrophobicContact CG-CD1 3.95Å; D514-Y521 WeakPolarHBondContact O-CA 3.36Å; Y521-N560 PolarHBondContact N-OD1 3.36Å; Y521-Y563 AromaticContact CD2-CD1 3.93Å; Y521-Y563 HydrophobicContact CD2-CD1 3.93Å; Y521-Y563 HydrophobicContact CD2-CE1 4.06Å; Y521-Y563 HydrophobicContact CD2-CG 4.39Å; Y521-Y563 AromaticContact CE2-CD1 3.78Å; Y521-Y563 HydrophobicContact CE2-CD1 3.78Å; Y521-Y563 HydrophobicContact CE2-CD2 4.44Å; Y521-Y563 AromaticContact CE2-CE1 3.46Å; Y521-Y563 HydrophobicContact CE2-CE1 3.46Å; Y521-Y563 VanDerWaalsContact CE2-CE1 3.46Å; Y521-Y563 HydrophobicContact CE2-CE2 4.17Å; Y521-Y563 HydrophobicContact CE2-CG 4.27Å; Y521-Y563 AromaticContact CE2-CZ 3.69Å |
| 522 | Y | 91.6 | Very high | 83.8 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 160.8 | 176.8 | 57.4 | -97.2 | 0 | 0 | 0 | 111.9 | D514 S516 F519 G520 R524 K550 | D514-Y522 HydrophobicContact CB-CD2 4.31Å; D514-Y522 HydrophobicContact CB-CE2 3.67Å; D514-Y522 PolarHBondContact N-O 3.39Å; D514-Y522 PolarHBondContact O-N 2.89Å; D514-Y522 PolarHBondContact OD2-OH 3.08Å; S516-Y522 WeakPolarHBondContact OG-CE1 3.46Å; F519-Y522 HydrophobicContact CB-CD1 4.21Å; G520-Y522 WeakPolarHBondContact O-CD1 3.42Å; Y522-R524 HydrophobicContact CD2-CB 4.46Å; Y522-R524 HydrophobicContact CE2-CB 4.24Å; Y522-K550 HydrophobicContact CD1-CD 4.43Å; Y522-K550 HydrophobicContact CD2-CB 3.78Å; Y522-K550 HydrophobicContact CD2-CD 3.89Å; Y522-K550 HydrophobicContact CD2-CG 3.77Å; Y522-K550 HydrophobicContact CE1-CD 4.02Å; Y522-K550 HydrophobicContact CE2-CB 4.12Å; Y522-K550 HydrophobicContact CE2-CD 3.44Å; Y522-K550 VanDerWaalsContact CE2-CD 3.44Å; Y522-K550 HydrophobicContact CE2-CG 3.56Å; Y522-K550 HydrophobicContact CG-CB 4.29Å; Y522-K550 HydrophobicContact CG-CD 4.38Å; Y522-K550 VanDerWaalsContact OH-CE 3.29Å; Y522-K550 WeakPolarHBondContact OH-CE 3.39Å; Y522-K550 PolarHBondContact OH-NZ 3.23Å; Y522-K550 VanDerWaalsContact OH-NZ 3.1Å |
| 523 | F | 91 | Very high | 83.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 141.6 | 168.4 | -59.3 | -52.9 | 0 | 0 | 0 | 111 | L496 A499 I511 K512 L513 F539 K550 F551 L556 | L496-F523 HydrophobicContact CB-CE1 3.85Å; L496-F523 HydrophobicContact CD1-CD1 3.67Å; L496-F523 HydrophobicContact CD1-CE1 3.75Å; L496-F523 HydrophobicContact CG-CE1 4.43Å; A499-F523 HydrophobicContact CB-CE2 4.03Å; A499-F523 HydrophobicContact CB-CZ 4.05Å; I511-F523 HydrophobicContact CD1-CB 4.32Å; I511-F523 HydrophobicContact CD1-CD1 4.39Å; I511-F523 HydrophobicContact CD1-CG 4.26Å; I511-F523 HydrophobicContact CG1-CB 4.32Å; K512-F523 CarbonylContact O-C 3.52Å; K512-F523 WeakPolarHBondContact O-CA 3.44Å; L513-F523 HydrophobicContact CD1-CD1 4.01Å; L513-F523 HydrophobicContact CD1-CE1 3.94Å; F523-F539 HydrophobicContact CE2-CE1 4.44Å; F523-K550 CarbonylContact O-C 3.58Å; F523-K550 VanDerWaalsContact O-CA 3.32Å; F523-K550 WeakPolarHBondContact O-CA 3.45Å; F523-F551 WeakPolarHBondContact CA-O 3.46Å; F523-F551 HydrophobicContact CB-CD1 4.11Å; F523-F551 HydrophobicContact CB-CD2 4Å; F523-F551 HydrophobicContact CB-CE1 3.72Å; F523-F551 HydrophobicContact CB-CE2 3.62Å; F523-F551 HydrophobicContact CB-CG 4.24Å; F523-F551 HydrophobicContact CB-CZ 3.48Å; F523-F551 VanDerWaalsContact CB-CZ 3.48Å; F523-F551 WeakPolarHBondContact CB-O 3.4Å; F523-F551 HydrophobicContact CD2-CD2 4.08Å; F523-F551 AromaticContact CD2-CE2 3.75Å; F523-F551 HydrophobicContact CD2-CE2 3.75Å; F523-F551 HydrophobicContact CD2-CZ 4.4Å; F523-F551 HydrophobicContact CG-CE2 4.06Å; F523-F551 HydrophobicContact CG-CZ 4.27Å; F523-F551 PolarHBondContact N-O 3.41Å; F523-F551 PolarHBondContact O-N 2.93Å; F523-L556 HydrophobicContact CD1-CD2 4.2Å; F523-L556 HydrophobicContact CD2-CD2 3.78Å; F523-L556 HydrophobicContact CE1-CD2 4.01Å; F523-L556 HydrophobicContact CE2-CB 4.27Å; F523-L556 HydrophobicContact CE2-CD2 3.59Å; F523-L556 HydrophobicContact CE2-CG 4.5Å; F523-L556 HydrophobicContact CG-CD2 4.09Å; F523-L556 HydrophobicContact CZ-CB 4.43Å; F523-L556 HydrophobicContact CZ-CD2 3.72Å; F523-L556 HydrophobicContact CZ-CG 4.47Å |
| 524 | R | 89.5 | Confident | 82.2 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.7 | 177.4 | -178.1 | 178.9 | 173.4 | 175.6 | -2.4 | 110.4 | K512 D514 Y522 | K512-R524 PolarHBondContact N-O 3.11Å; K512-R524 PolarHBondContact O-N 3.21Å; D514-R524 HydrophobicContact CB-CB 4.44Å; D514-R524 IonicContact OD2-NH1 3.07Å; D514-R524 PolarHBondContact OD2-NH1 3.21Å; Y522-R524 HydrophobicContact CD2-CB 4.46Å; Y522-R524 HydrophobicContact CE2-CB 4.24Å |
| 525 | V | 89.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 160.4 | 169.6 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | L505 I511 E529 L533 G548 V549 F551 | L505-V525 HydrophobicContact CD1-CG1 4.02Å; I511-V525 HydrophobicContact CB-CG1 3.96Å; I511-V525 HydrophobicContact CG1-CG1 4.03Å; V525-E529 HydrophobicContact CB-CB 4.13Å; V525-E529 HydrophobicContact CG2-CB 4.49Å; V525-L533 HydrophobicContact CG2-CD1 3.5Å; V525-L533 VanDerWaalsContact CG2-CD1 3.5Å; V525-G548 CarbonylContact O-C 3.5Å; V525-G548 WeakPolarHBondContact O-CA 3.46Å; V525-V549 PolarHBondContact N-O 2.98Å; V525-V549 VanDerWaalsContact N-O 3.12Å; V525-V549 PolarHBondContact O-N 3.33Å; V525-F551 HydrophobicContact CB-CE1 4.19Å; V525-F551 HydrophobicContact CG1-CE1 3.64Å; V525-F551 HydrophobicContact CG1-CZ 4Å; V525-F551 HydrophobicContact CG2-CD1 4.29Å; V525-F551 HydrophobicContact CG2-CE1 3.74Å |
| 526 | T | 85.2 | Confident | 80.5 | Confident | 66 Ų | 66 | 76 Ų | 76 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | trans | -75.9 | 160.7 | 175.1 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | K528 E529 E530 | T526-K528 PolarHBondContact O-N 3.1Å; T526-E529 PolarHBondContact O-N 3.37Å; T526-E530 PolarHBondContact O-N 3.12Å | ||
| 527 | C | 79.4 | Confident | 79.9 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.2 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | E530 K546 G548 | C527-E530 WeakPolarHBondContact O-CB 3.43Å; C527-K546 PolarHBondContact SG-O 3.4Å; C527-K546 VanDerWaalsContact SG-O 3.33Å; C527-G548 PolarHBondContact SG-N 3.09Å; C527-G548 VanDerWaalsContact SG-N 3.38Å |
| 528 | K | 78.4 | Confident | 80.1 | Confident | 184 Ų | 184 | 83.4 Ų | 83.4 | 80% | 0.8 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -37.9 | 175 | -67.4 | -176.1 | 178.5 | -179.6 | 0 | 112 | T526 | T526-K528 PolarHBondContact O-N 3.1Š|
| 529 | E | 76.6 | Confident | 80.5 | Confident | 41 Ų | 41 | 77 Ų | 77 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -5.5 | -176.9 | -57.4 | -60.7 | 168.1 | 0 | 0 | 112.9 | L505 Q510 V525 T526 K531 V532 | L505-E529 HydrophobicContact CD1-CB 4.42Å; L505-E529 HydrophobicContact CD2-CB 4.41Å; L505-E529 HydrophobicContact CD2-CG 4.06Å; L505-E529 VanDerWaalsContact CD2-OE2 3.3Å; L505-E529 WeakPolarHBondContact CD2-OE2 3.48Å; Q510-E529 PolarHBondContact NE2-OE1 3.41Å; V525-E529 HydrophobicContact CB-CB 4.13Å; V525-E529 HydrophobicContact CG2-CB 4.49Å; T526-E529 PolarHBondContact O-N 3.37Å; E529-K531 PolarHBondContact O-N 3.42Å; E529-K531 VanDerWaalsContact O-N 3.14Å; E529-V532 WeakPolarHBondContact O-CB 3.19Å; E529-V532 PolarHBondContact O-N 3.35Å; E529-V532 VanDerWaalsContact O-N 3.1Å |
| 530 | E | 81.8 | Confident | 80.8 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.1 | -34 | 177.8 | -173.9 | -128.4 | 147.6 | 0 | 0 | 112.8 | T526 C527 V532 L533 R534 V549 | T526-E530 PolarHBondContact O-N 3.12Å; C527-E530 WeakPolarHBondContact O-CB 3.43Å; E530-V532 PolarHBondContact O-N 2.84Å; E530-L533 WeakPolarHBondContact O-CB 3.5Å; E530-L533 PolarHBondContact O-N 3.1Å; E530-R534 IonicContact OE1-CZ 3.25Å; E530-R534 VanDerWaalsContact OE1-CZ 3.25Å; E530-R534 IonicContact OE1-NE 2.88Å; E530-R534 PolarHBondContact OE1-NE 2.88Å; E530-R534 IonicContact OE1-NH2 3.24Å; E530-R534 PolarHBondContact OE1-NH2 3.38Å; E530-R534 IonicContact OE2-NH2 2.81Å; E530-R534 PolarHBondContact OE2-NH2 3.5Å; E530-V549 HydrophobicContact CB-CG2 4.33Å; E530-V549 HydrophobicContact CG-CB 4.41Å; E530-V549 HydrophobicContact CG-CG2 3.68Å |
| 531 | K | 80.1 | Confident | 80.9 | Confident | 155 Ų | 155 | 80 Ų | 80 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61 | -28.7 | -178.2 | -62.4 | -178.4 | -177.2 | 179 | 0 | 112.6 | E529 L533 R534 | E529-K531 PolarHBondContact O-N 3.42Å; E529-K531 VanDerWaalsContact O-N 3.14Å; K531-L533 VanDerWaalsContact C-N 3.27Å; K531-L533 PolarHBondContact O-N 2.74Å; K531-R534 PolarHBondContact O-N 3.43Å |
| 532 | V | 76.9 | Confident | 80.7 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.4 | -22.8 | 179.9 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | L503 E529 E530 N536 | L503-V532 HydrophobicContact CB-CG1 4.42Å; L503-V532 HydrophobicContact CD2-CG1 4.11Å; E529-V532 WeakPolarHBondContact O-CB 3.19Å; E529-V532 PolarHBondContact O-N 3.35Å; E529-V532 VanDerWaalsContact O-N 3.1Å; E530-V532 PolarHBondContact O-N 2.84Å; V532-N536 PolarHBondContact O-ND2 3.17Å |
| 533 | L | 76.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 82.7 Ų | 82.7 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -78.7 | -29.5 | 177.9 | -74.6 | 152.2 | 0 | 0 | 0 | 113.1 | V525 E530 K531 N535 N536 F539 V549 F551 | V525-L533 HydrophobicContact CG2-CD1 3.5Å; V525-L533 VanDerWaalsContact CG2-CD1 3.5Å; E530-L533 WeakPolarHBondContact O-CB 3.5Å; E530-L533 PolarHBondContact O-N 3.1Å; K531-L533 VanDerWaalsContact C-N 3.27Å; K531-L533 PolarHBondContact O-N 2.74Å; L533-N535 PolarHBondContact O-N 3.29Å; L533-N536 PolarHBondContact O-N 2.92Å; L533-F539 HydrophobicContact CD2-CB 3.96Å; L533-F539 HydrophobicContact CD2-CG 4.4Å; L533-V549 HydrophobicContact CD1-CG1 4.37Å; L533-F551 HydrophobicContact CD1-CD1 3.63Å; L533-F551 HydrophobicContact CD1-CE1 3.76Å; L533-F551 HydrophobicContact CD1-CG 4.17Å; L533-F551 HydrophobicContact CD1-CZ 4.36Å; L533-F551 HydrophobicContact CD2-CB 4.22Å; L533-F551 HydrophobicContact CD2-CD1 3.81Å; L533-F551 HydrophobicContact CD2-CD2 3.45Å; L533-F551 VanDerWaalsContact CD2-CD2 3.45Å; L533-F551 HydrophobicContact CD2-CE1 3.97Å; L533-F551 HydrophobicContact CD2-CE2 3.6Å; L533-F551 HydrophobicContact CD2-CG 3.54Å; L533-F551 HydrophobicContact CD2-CZ 3.85Å; L533-F551 HydrophobicContact CG-CD1 4.38Å; L533-F551 HydrophobicContact CG-CE1 4.42Å |
| 534 | R | 69.6 | Low | 80.1 | Confident | 179 Ų | 179 | 88.2 Ų | 88.2 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.8 | -173.8 | -66.2 | -173 | -177.1 | -161.1 | 2.4 | 114.5 | E530 K531 | E530-R534 IonicContact OE1-CZ 3.25Å; E530-R534 VanDerWaalsContact OE1-CZ 3.25Å; E530-R534 IonicContact OE1-NE 2.88Å; E530-R534 PolarHBondContact OE1-NE 2.88Å; E530-R534 IonicContact OE1-NH2 3.24Å; E530-R534 PolarHBondContact OE1-NH2 3.38Å; E530-R534 IonicContact OE2-NH2 2.81Å; E530-R534 PolarHBondContact OE2-NH2 3.5Å; K531-R534 PolarHBondContact O-N 3.43Å |
| 535 | N | 66.9 | Low | 79.7 | Confident | 145 Ų | 145 | 87.8 Ų | 87.8 | 78% | 0.775 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -5.5 | -175.9 | -67.6 | -13.6 | 0 | 0 | 0 | 113.7 | L533 | L533-N535 PolarHBondContact O-N 3.29Š|
| 536 | N | 70.2 | Confident | 79 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 33% | 0.332 | 48% | 0.482 | S | S | . | . | trans | -106.2 | 110.4 | -172.5 | -76.7 | -42.3 | 0 | 0 | 0 | 112 | L503 V532 L533 N538 F539 | L503-N536 WeakPolarHBondContact CD2-ND2 3.31Å; V532-N536 PolarHBondContact O-ND2 3.17Å; L533-N536 PolarHBondContact O-N 2.92Å; N536-N538 PolarHBondContact O-N 3.38Å; N536-F539 HydrophobicContact CB-CD2 4.01Å | ||
| 537 | K | 68.2 | Low | 78.5 | Confident | 211 Ų | 211 | 100.2 Ų | 100.2 | 92% | 0.917 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.5 | -179.1 | -63.9 | -176 | -180 | -179.5 | 0 | 114.6 | ||
| 538 | N | 80 | Confident | 78.7 | Confident | 131 Ų | 131 | 97.7 Ų | 97.7 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -9.5 | -175.2 | -65.3 | -11.6 | 0 | 0 | 0 | 113.6 | N536 N553 | N536-N538 PolarHBondContact O-N 3.38Å; N538-N553 WeakPolarHBondContact O-CB 3.2Å |
| 539 | F | 86.1 | Confident | 79.2 | Confident | 26 Ų | 26 | 89 Ų | 89 | 11% | 0.114 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.7 | -179.8 | -65.3 | -75.6 | 0 | 0 | 0 | 110.3 | A499 L503 F523 L533 N536 F551 T552 N553 | A499-F539 HydrophobicContact CB-CE1 3.84Å; A499-F539 HydrophobicContact CB-CZ 3.88Å; L503-F539 HydrophobicContact CD1-CD2 4.46Å; L503-F539 HydrophobicContact CD1-CE2 4.04Å; L503-F539 HydrophobicContact CD1-CZ 4.08Å; L503-F539 HydrophobicContact CD2-CD2 3.93Å; L503-F539 HydrophobicContact CD2-CE2 3.63Å; L503-F539 HydrophobicContact CD2-CZ 4.43Å; L503-F539 HydrophobicContact CG-CD2 4.45Å; L503-F539 HydrophobicContact CG-CE2 3.79Å; L503-F539 HydrophobicContact CG-CZ 4.11Å; F523-F539 HydrophobicContact CE2-CE1 4.44Å; L533-F539 HydrophobicContact CD2-CB 3.96Å; L533-F539 HydrophobicContact CD2-CG 4.4Å; N536-F539 HydrophobicContact CB-CD2 4.01Å; F539-F551 HydrophobicContact CB-CD2 4.02Å; F539-F551 AromaticContact CD1-CD2 3.77Å; F539-F551 HydrophobicContact CD1-CD2 3.77Å; F539-F551 AromaticContact CD1-CE2 3.72Å; F539-F551 HydrophobicContact CD1-CE2 3.72Å; F539-F551 HydrophobicContact CE1-CE2 4.17Å; F539-F551 HydrophobicContact CG-CD2 4.14Å; F539-F551 HydrophobicContact CG-CE2 4.21Å; F539-T552 CarbonylContact C-O 3.46Å; F539-T552 VanDerWaalsContact CA-O 3.31Å; F539-T552 WeakPolarHBondContact CA-O 3.47Å; F539-N553 HydrophobicContact CD1-CB 3.74Å; F539-N553 HydrophobicContact CE1-CB 3.87Å |
| 540 | S | 85 | Confident | 79.9 | Confident | 74 Ų | 74 | 88 Ų | 88 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.2 | -178.9 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | F551 T552 | S540-F551 CarbonylContact O-C 3.56Å; S540-F551 VanDerWaalsContact O-CA 3.23Å; S540-F551 WeakPolarHBondContact O-CA 3.41Å; S540-F551 WeakPolarHBondContact O-CB 3.38Å; S540-T552 PolarHBondContact N-O 3.49Å; S540-T552 PolarHBondContact O-N 3.09Å |
| 541 | T | 86.7 | Confident | 80.3 | Confident | 81 Ų | 81 | 85.8 Ų | 85.8 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.2 | 176.1 | 32.8 | 0 | 0 | 0 | 0 | 111.3 | V549 F551 | T541-V549 HydrophobicContact CG2-CG1 3.55Å; T541-F551 HydrophobicContact CG2-CB 4.09Å |
| 542 | V | 85.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 79 Ų | 79 | 35% | 0.352 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -44.8 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | F519 K550 T552 | F519-V542 HydrophobicContact CB-CG1 4.37Å; F519-V542 HydrophobicContact CD1-CG1 3.49Å; F519-V542 VanDerWaalsContact CD1-CG1 3.49Å; F519-V542 HydrophobicContact CD2-CG1 4.36Å; F519-V542 HydrophobicContact CE1-CG1 3.76Å; F519-V542 HydrophobicContact CG-CG1 3.83Å; F519-V542 HydrophobicContact CZ-CG1 4.31Å; V542-K550 PolarHBondContact N-O 3.34Å; V542-T552 HydrophobicContact CG2-CG2 3.67Å |
| 543 | D | 86.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 147.7 | -177.2 | -178.6 | 31.6 | 0 | 0 | 0 | 110.8 | F519 Q545 K550 | F519-D543 HydrophobicContact CE2-CB 4.3Å; D543-Q545 WeakPolarHBondContact OD2-CG 3.32Å; D543-Q545 PolarHBondContact OD2-NE2 3.05Å; D543-K550 HydrophobicContact CB-CB 4.25Å; D543-K550 HydrophobicContact CB-CD 4.12Å; D543-K550 HydrophobicContact CB-CG 4.49Å; D543-K550 PolarHBondContact N-O 2.55Å; D543-K550 PolarHBondContact O-N 3.14Å |
| 544 | I | 83.9 | Confident | 82 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115.3 | -177.1 | -61.9 | 175.6 | 0 | 0 | 0 | 108.1 | V549 | I544-V549 HydrophobicContact CB-CG2 4.4Å; I544-V549 HydrophobicContact CG1-CG1 4.18Å; I544-V549 HydrophobicContact CG1-CG2 4.12Å; I544-V549 HydrophobicContact CG2-CG2 4.01Å |
| 545 | Q | 81.1 | Confident | 82.9 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 160.6 | 179.4 | -59.3 | -168.1 | -2.8 | 0 | 0 | 111.3 | D543 N547 G548 | D543-Q545 WeakPolarHBondContact OD2-CG 3.32Å; D543-Q545 PolarHBondContact OD2-NE2 3.05Å; Q545-N547 PolarHBondContact O-N 3.26Å; Q545-G548 CarbonylContact C-O 3.52Å; Q545-G548 PolarHBondContact N-O 3.36Å; Q545-G548 PolarHBondContact O-N 3.37Å; Q545-G548 VanDerWaalsContact O-N 3.12Å |
| 546 | K | 75.3 | Confident | 84 | Confident | 203 Ų | 203 | 71.7 Ų | 71.7 | 88% | 0.883 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.9 | -179.7 | -76.7 | -174.3 | 175.4 | -178.5 | 0 | 114 | C527 | C527-K546 PolarHBondContact SG-O 3.4Å; C527-K546 VanDerWaalsContact SG-O 3.33Å |
| 547 | N | 74.6 | Confident | 85 | Confident | 126 Ų | 126 | 71 Ų | 71 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -1.5 | -175.5 | -63.3 | -14.7 | 0 | 0 | 0 | 113.8 | Q545 | Q545-N547 PolarHBondContact O-N 3.26Š|
| 548 | G | 84.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | V525 C527 Q545 | V525-G548 CarbonylContact O-C 3.5Å; V525-G548 WeakPolarHBondContact O-CA 3.46Å; C527-G548 PolarHBondContact SG-N 3.09Å; C527-G548 VanDerWaalsContact SG-N 3.38Å; Q545-G548 CarbonylContact C-O 3.52Å; Q545-G548 PolarHBondContact N-O 3.36Å; Q545-G548 PolarHBondContact O-N 3.37Å; Q545-G548 VanDerWaalsContact O-N 3.12Å |
| 549 | V | 88.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.7 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | V525 E530 L533 T541 I544 | V525-V549 PolarHBondContact N-O 2.98Å; V525-V549 VanDerWaalsContact N-O 3.12Å; V525-V549 PolarHBondContact O-N 3.33Å; E530-V549 HydrophobicContact CB-CG2 4.33Å; E530-V549 HydrophobicContact CG-CB 4.41Å; E530-V549 HydrophobicContact CG-CG2 3.68Å; L533-V549 HydrophobicContact CD1-CG1 4.37Å; T541-V549 HydrophobicContact CG2-CG1 3.55Å; I544-V549 HydrophobicContact CB-CG2 4.4Å; I544-V549 HydrophobicContact CG1-CG1 4.18Å; I544-V549 HydrophobicContact CG1-CG2 4.12Å; I544-V549 HydrophobicContact CG2-CG2 4.01Å |
| 550 | K | 90.5 | Very high | 87 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130 | 175.9 | -56.5 | -176.1 | -179.2 | -175.3 | 0 | 109.2 | Y522 F523 V542 D543 | Y522-K550 HydrophobicContact CD1-CD 4.43Å; Y522-K550 HydrophobicContact CD2-CB 3.78Å; Y522-K550 HydrophobicContact CD2-CD 3.89Å; Y522-K550 HydrophobicContact CD2-CG 3.77Å; Y522-K550 HydrophobicContact CE1-CD 4.02Å; Y522-K550 HydrophobicContact CE2-CB 4.12Å; Y522-K550 HydrophobicContact CE2-CD 3.44Å; Y522-K550 VanDerWaalsContact CE2-CD 3.44Å; Y522-K550 HydrophobicContact CE2-CG 3.56Å; Y522-K550 HydrophobicContact CG-CB 4.29Å; Y522-K550 HydrophobicContact CG-CD 4.38Å; Y522-K550 VanDerWaalsContact OH-CE 3.29Å; Y522-K550 WeakPolarHBondContact OH-CE 3.39Å; Y522-K550 PolarHBondContact OH-NZ 3.23Å; Y522-K550 VanDerWaalsContact OH-NZ 3.1Å; F523-K550 CarbonylContact O-C 3.58Å; F523-K550 VanDerWaalsContact O-CA 3.32Å; F523-K550 WeakPolarHBondContact O-CA 3.45Å; V542-K550 PolarHBondContact N-O 3.34Å; D543-K550 HydrophobicContact CB-CB 4.25Å; D543-K550 HydrophobicContact CB-CD 4.12Å; D543-K550 HydrophobicContact CB-CG 4.49Å; D543-K550 PolarHBondContact N-O 2.55Å; D543-K550 PolarHBondContact O-N 3.14Å |
| 551 | F | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.4 | -178.6 | 65.8 | -81.4 | 0 | 0 | 0 | 111.1 | L503 I511 F523 V525 L533 F539 S540 T541 | L503-F551 HydrophobicContact CD1-CE2 4.1Å; L503-F551 HydrophobicContact CD1-CZ 4.07Å; I511-F551 HydrophobicContact CD1-CE2 4.35Å; I511-F551 HydrophobicContact CD1-CZ 3.76Å; I511-F551 HydrophobicContact CG1-CZ 4.18Å; F523-F551 WeakPolarHBondContact CA-O 3.46Å; F523-F551 HydrophobicContact CB-CD1 4.11Å; F523-F551 HydrophobicContact CB-CD2 4Å; F523-F551 HydrophobicContact CB-CE1 3.72Å; F523-F551 HydrophobicContact CB-CE2 3.62Å; F523-F551 HydrophobicContact CB-CG 4.24Å; F523-F551 HydrophobicContact CB-CZ 3.48Å; F523-F551 VanDerWaalsContact CB-CZ 3.48Å; F523-F551 WeakPolarHBondContact CB-O 3.4Å; F523-F551 HydrophobicContact CD2-CD2 4.08Å; F523-F551 AromaticContact CD2-CE2 3.75Å; F523-F551 HydrophobicContact CD2-CE2 3.75Å; F523-F551 HydrophobicContact CD2-CZ 4.4Å; F523-F551 HydrophobicContact CG-CE2 4.06Å; F523-F551 HydrophobicContact CG-CZ 4.27Å; F523-F551 PolarHBondContact N-O 3.41Å; F523-F551 PolarHBondContact O-N 2.93Å; V525-F551 HydrophobicContact CB-CE1 4.19Å; V525-F551 HydrophobicContact CG1-CE1 3.64Å; V525-F551 HydrophobicContact CG1-CZ 4Å; V525-F551 HydrophobicContact CG2-CD1 4.29Å; V525-F551 HydrophobicContact CG2-CE1 3.74Å; L533-F551 HydrophobicContact CD1-CD1 3.63Å; L533-F551 HydrophobicContact CD1-CE1 3.76Å; L533-F551 HydrophobicContact CD1-CG 4.17Å; L533-F551 HydrophobicContact CD1-CZ 4.36Å; L533-F551 HydrophobicContact CD2-CB 4.22Å; L533-F551 HydrophobicContact CD2-CD1 3.81Å; L533-F551 HydrophobicContact CD2-CD2 3.45Å; L533-F551 VanDerWaalsContact CD2-CD2 3.45Å; L533-F551 HydrophobicContact CD2-CE1 3.97Å; L533-F551 HydrophobicContact CD2-CE2 3.6Å; L533-F551 HydrophobicContact CD2-CG 3.54Å; L533-F551 HydrophobicContact CD2-CZ 3.85Å; L533-F551 HydrophobicContact CG-CD1 4.38Å; L533-F551 HydrophobicContact CG-CE1 4.42Å; F539-F551 HydrophobicContact CB-CD2 4.02Å; F539-F551 AromaticContact CD1-CD2 3.77Å; F539-F551 HydrophobicContact CD1-CD2 3.77Å; F539-F551 AromaticContact CD1-CE2 3.72Å; F539-F551 HydrophobicContact CD1-CE2 3.72Å; F539-F551 HydrophobicContact CE1-CE2 4.17Å; F539-F551 HydrophobicContact CG-CD2 4.14Å; F539-F551 HydrophobicContact CG-CE2 4.21Å; S540-F551 CarbonylContact O-C 3.56Å; S540-F551 VanDerWaalsContact O-CA 3.23Å; S540-F551 WeakPolarHBondContact O-CA 3.41Å; S540-F551 WeakPolarHBondContact O-CB 3.38Å; T541-F551 HydrophobicContact CG2-CB 4.09Å |
| 552 | T | 91 | Very high | 87.5 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 176.1 | 176.1 | 77.1 | 0 | 0 | 0 | 0 | 109.8 | F539 S540 V542 L556 T557 | F539-T552 CarbonylContact C-O 3.46Å; F539-T552 VanDerWaalsContact CA-O 3.31Å; F539-T552 WeakPolarHBondContact CA-O 3.47Å; S540-T552 PolarHBondContact N-O 3.49Å; S540-T552 PolarHBondContact O-N 3.09Å; V542-T552 HydrophobicContact CG2-CG2 3.67Å; T552-L556 HydrophobicContact CG2-CD2 4.46Å; T552-T557 PolarHBondContact OG1-OG1 3.19Å |
| 553 | N | 89.4 | Confident | 87.8 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 169 | 161 | 63.4 | 9.3 | 0 | 0 | 0 | 109.3 | N538 F539 K555 L556 T557 | N538-N553 WeakPolarHBondContact O-CB 3.2Å; F539-N553 HydrophobicContact CD1-CB 3.74Å; F539-N553 HydrophobicContact CE1-CB 3.87Å; N553-K555 PolarHBondContact O-N 2.79Å; N553-K555 PolarHBondContact OD1-N 3.08Å; N553-L556 PolarHBondContact O-N 3.44Å; N553-L556 WeakPolarHBondContact OD1-CA 3.38Å; N553-L556 WeakPolarHBondContact OD1-CB 3.48Å; N553-L556 PolarHBondContact OD1-N 3.07Å; N553-T557 PolarHBondContact O-N 2.9Å; N553-T557 PolarHBondContact O-OG1 2.97Å |
| 554 | S | 88.4 | Confident | 87.9 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 69% | 0.685 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.8 | -39.7 | -180 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | S558 | S554-S558 PolarHBondContact O-N 2.86Å; S554-S558 VanDerWaalsContact O-N 3.07Å; S554-S558 PolarHBondContact O-OG 2.81Å; S554-S558 VanDerWaalsContact O-OG 3.12Å |
| 555 | K | 89.8 | Confident | 88.2 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 179.6 | -174.8 | 58.5 | 179.5 | 172.4 | 0 | 113.3 | T495 N553 S558 L559 | T495-K555 HydrophobicContact CG2-CG 3.92Å; N553-K555 PolarHBondContact O-N 2.79Å; N553-K555 PolarHBondContact OD1-N 3.08Å; K555-S558 PolarHBondContact O-N 3.46Å; K555-L559 HydrophobicContact CG-CD1 4.47Å; K555-L559 WeakPolarHBondContact O-CG 3.29Å; K555-L559 PolarHBondContact O-N 3.17Å; K555-L559 VanDerWaalsContact O-N 3.08Å |
| 556 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 177.3 | -179.6 | 65.1 | 0 | 0 | 0 | 110.2 | M492 L513 F523 T552 N553 L559 N560 | M492-L556 HydrophobicContact CB-CD1 4.01Å; M492-L556 HydrophobicContact CG-CD1 3.76Å; M492-L556 HydrophobicContact SD-CD1 4.16Å; L513-L556 HydrophobicContact CD1-CD1 4.13Å; L513-L556 HydrophobicContact CD1-CD2 4.2Å; F523-L556 HydrophobicContact CD1-CD2 4.2Å; F523-L556 HydrophobicContact CD2-CD2 3.78Å; F523-L556 HydrophobicContact CE1-CD2 4.01Å; F523-L556 HydrophobicContact CE2-CB 4.27Å; F523-L556 HydrophobicContact CE2-CD2 3.59Å; F523-L556 HydrophobicContact CE2-CG 4.5Å; F523-L556 HydrophobicContact CG-CD2 4.09Å; F523-L556 HydrophobicContact CZ-CB 4.43Å; F523-L556 HydrophobicContact CZ-CD2 3.72Å; F523-L556 HydrophobicContact CZ-CG 4.47Å; T552-L556 HydrophobicContact CG2-CD2 4.46Å; N553-L556 PolarHBondContact O-N 3.44Å; N553-L556 WeakPolarHBondContact OD1-CA 3.38Å; N553-L556 WeakPolarHBondContact OD1-CB 3.48Å; N553-L556 PolarHBondContact OD1-N 3.07Å; L556-L559 PolarHBondContact O-N 3.01Å; L556-N560 WeakPolarHBondContact O-CB 3.48Å; L556-N560 PolarHBondContact O-N 3.26Å |
| 557 | T | 90.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.2 | -66 | 0 | 0 | 0 | 0 | 111.3 | T552 N553 L559 N560 E561 | T552-T557 PolarHBondContact OG1-OG1 3.19Å; N553-T557 PolarHBondContact O-N 2.9Å; N553-T557 PolarHBondContact O-OG1 2.97Å; T557-L559 PolarHBondContact O-N 3.03Å; T557-N560 PolarHBondContact O-N 2.96Å; T557-N560 VanDerWaalsContact O-N 3.12Å; T557-E561 WeakPolarHBondContact O-CG 3.26Å; T557-E561 PolarHBondContact O-N 3.22Å |
| 558 | S | 91.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 49 Ų | 49 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | S554 K555 N560 E562 | S554-S558 PolarHBondContact O-N 2.86Å; S554-S558 VanDerWaalsContact O-N 3.07Å; S554-S558 PolarHBondContact O-OG 2.81Å; S554-S558 VanDerWaalsContact O-OG 3.12Å; K555-S558 PolarHBondContact O-N 3.46Å; S558-N560 VanDerWaalsContact C-N 3.28Å; S558-N560 PolarHBondContact O-N 3.49Å; S558-E562 PolarHBondContact O-N 3.11Å |
| 559 | L | 92.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.7 | -69.2 | 172 | 0 | 0 | 0 | 111.3 | L488 K491 M492 T495 K555 L556 T557 Y563 | L488-L559 HydrophobicContact CD2-CD2 3.68Å; K491-L559 HydrophobicContact CB-CD1 4.12Å; K491-L559 HydrophobicContact CB-CD2 4.26Å; K491-L559 HydrophobicContact CD-CD2 4.45Å; M492-L559 HydrophobicContact CE-CB 3.74Å; M492-L559 WeakPolarHBondContact CE-O 3.28Å; M492-L559 HydrophobicContact CG-CB 3.9Å; M492-L559 HydrophobicContact CG-CD1 4Å; T495-L559 HydrophobicContact CG2-CD1 4.02Å; K555-L559 HydrophobicContact CG-CD1 4.47Å; K555-L559 WeakPolarHBondContact O-CG 3.29Å; K555-L559 PolarHBondContact O-N 3.17Å; K555-L559 VanDerWaalsContact O-N 3.08Å; L556-L559 PolarHBondContact O-N 3.01Å; T557-L559 PolarHBondContact O-N 3.03Å; L559-Y563 WeakPolarHBondContact O-CB 3.19Å; L559-Y563 PolarHBondContact O-N 3.29Å |
| 560 | N | 91.5 | Very high | 89.9 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.3 | -36.5 | -179.1 | -170.9 | 53.9 | 0 | 0 | 0 | 112.4 | M492 F519 Y521 L556 T557 S558 Y563 T564 | M492-N560 HydrophobicContact CE-CB 3.93Å; M492-N560 VanDerWaalsContact CE-N 3.3Å; F519-N560 PolarHBondContact O-ND2 3.05Å; Y521-N560 PolarHBondContact N-OD1 3.36Å; L556-N560 WeakPolarHBondContact O-CB 3.48Å; L556-N560 PolarHBondContact O-N 3.26Å; T557-N560 PolarHBondContact O-N 2.96Å; T557-N560 VanDerWaalsContact O-N 3.12Å; S558-N560 VanDerWaalsContact C-N 3.28Å; S558-N560 PolarHBondContact O-N 3.49Å; N560-Y563 PolarHBondContact O-N 3.41Å; N560-T564 VanDerWaalsContact O-CB 3.24Å; N560-T564 WeakPolarHBondContact O-CB 3.43Å; N560-T564 PolarHBondContact O-N 2.98Å; N560-T564 PolarHBondContact O-OG1 3.39Å |
| 561 | E | 90.7 | Very high | 89.6 | Confident | 128 Ų | 128 | 56.4 Ų | 56.4 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 171.5 | -73.7 | 170.5 | -176.8 | 0 | 0 | 111 | T557 K565 | T557-E561 WeakPolarHBondContact O-CG 3.26Å; T557-E561 PolarHBondContact O-N 3.22Å; E561-K565 WeakPolarHBondContact O-CB 3.13Å; E561-K565 PolarHBondContact O-N 3.44Å |
| 562 | E | 92.2 | Very high | 89.5 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.3 | -168.7 | 177.3 | -177.9 | 0 | 0 | 111.9 | L488 S558 K565 N566 | L488-E562 HydrophobicContact CD1-CB 4.36Å; L488-E562 HydrophobicContact CD1-CG 3.99Å; L488-E562 HydrophobicContact CD2-CG 4.34Å; S558-E562 PolarHBondContact O-N 3.11Å; E562-K565 PolarHBondContact O-N 3.47Å; E562-N566 PolarHBondContact O-N 3.31Å; E562-N566 PolarHBondContact O-ND2 3.39Å |
| 563 | Y | 91.1 | Very high | 89.3 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.6 | -176.8 | -90.6 | 0 | 0 | 0 | 111.7 | M485 L488 E489 M492 Y521 L559 N560 K565 N566 K567 | M485-Y563 HydrophobicContact CB-CD2 4.27Å; M485-Y563 HydrophobicContact CB-CE2 3.75Å; M485-Y563 HydrophobicContact CG-CD2 4.18Å; M485-Y563 HydrophobicContact CG-CE2 3.87Å; M485-Y563 HydrophobicContact SD-CE2 4.28Å; L488-Y563 HydrophobicContact CB-CD2 4.02Å; L488-Y563 HydrophobicContact CD1-CD2 4.38Å; E489-Y563 HydrophobicContact CG-CD2 4.38Å; E489-Y563 HydrophobicContact CG-CE2 3.71Å; E489-Y563 PolarHBondContact OE1-OH 3.46Å; M492-Y563 HydrophobicContact CE-CG 4.19Å; Y521-Y563 AromaticContact CD2-CD1 3.93Å; Y521-Y563 HydrophobicContact CD2-CD1 3.93Å; Y521-Y563 HydrophobicContact CD2-CE1 4.06Å; Y521-Y563 HydrophobicContact CD2-CG 4.39Å; Y521-Y563 AromaticContact CE2-CD1 3.78Å; Y521-Y563 HydrophobicContact CE2-CD1 3.78Å; Y521-Y563 HydrophobicContact CE2-CD2 4.44Å; Y521-Y563 AromaticContact CE2-CE1 3.46Å; Y521-Y563 HydrophobicContact CE2-CE1 3.46Å; Y521-Y563 VanDerWaalsContact CE2-CE1 3.46Å; Y521-Y563 HydrophobicContact CE2-CE2 4.17Å; Y521-Y563 HydrophobicContact CE2-CG 4.27Å; Y521-Y563 AromaticContact CE2-CZ 3.69Å; L559-Y563 WeakPolarHBondContact O-CB 3.19Å; L559-Y563 PolarHBondContact O-N 3.29Å; N560-Y563 PolarHBondContact O-N 3.41Å; Y563-K565 VanDerWaalsContact C-N 3.31Å; Y563-K565 PolarHBondContact O-N 3.2Å; Y563-N566 PolarHBondContact O-N 3.09Å; Y563-K567 HydrophobicContact CD1-CB 4.45Å; Y563-K567 HydrophobicContact CE1-CB 4.21Å; Y563-K567 HydrophobicContact CE1-CD 3.78Å; Y563-K567 WeakPolarHBondContact O-CB 3.17Å; Y563-K567 PolarHBondContact O-N 2.87Å |
| 564 | T | 88.5 | Confident | 89.2 | Confident | 62 Ų | 62 | 63 Ų | 63 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.3 | -55 | 0 | 0 | 0 | 0 | 110.6 | N560 K567 T568 | N560-T564 VanDerWaalsContact O-CB 3.24Å; N560-T564 WeakPolarHBondContact O-CB 3.43Å; N560-T564 PolarHBondContact O-N 2.98Å; N560-T564 PolarHBondContact O-OG1 3.39Å; T564-K567 PolarHBondContact O-N 2.91Å; T564-T568 WeakPolarHBondContact O-CB 3.5Å; T564-T568 PolarHBondContact O-N 3.04Å; T564-T568 PolarHBondContact O-OG1 3.49Å; T564-T568 VanDerWaalsContact O-OG1 3.09Å |
| 565 | K | 90.3 | Very high | 89 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.6 | -54.4 | 174.8 | -175.5 | -171.3 | 173.4 | -164.3 | 0 | 111.5 | E561 E562 Y563 K567 T568 E569 | E561-K565 WeakPolarHBondContact O-CB 3.13Å; E561-K565 PolarHBondContact O-N 3.44Å; E562-K565 PolarHBondContact O-N 3.47Å; Y563-K565 VanDerWaalsContact C-N 3.31Å; Y563-K565 PolarHBondContact O-N 3.2Å; K565-K567 VanDerWaalsContact C-N 3.31Å; K565-K567 PolarHBondContact O-N 3.32Å; K565-T568 PolarHBondContact O-N 2.81Å; K565-E569 WeakPolarHBondContact O-CB 3.4Å; K565-E569 PolarHBondContact O-N 2.63Å |
| 566 | N | 88.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 179.9 | -70.4 | -64.4 | 0 | 0 | 0 | 112.1 | L481 M485 E562 Y563 E569 Y570 | L481-N566 HydrophobicContact CD2-CB 4.28Å; M485-N566 HydrophobicContact CG-CB 4.11Å; E562-N566 PolarHBondContact O-N 3.31Å; E562-N566 PolarHBondContact O-ND2 3.39Å; Y563-N566 PolarHBondContact O-N 3.09Å; N566-E569 PolarHBondContact O-N 2.98Å; N566-Y570 WeakPolarHBondContact O-CB 3.32Å; N566-Y570 PolarHBondContact O-N 3.26Å |
| 567 | K | 86.2 | Confident | 88.9 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.3 | 178.4 | 170.8 | 174.6 | 171.8 | 0 | 111.6 | M485 Y563 T564 K565 Y570 E571 | M485-K567 HydrophobicContact SD-CB 3.94Å; M485-K567 HydrophobicContact SD-CG 4.5Å; Y563-K567 HydrophobicContact CD1-CB 4.45Å; Y563-K567 HydrophobicContact CE1-CB 4.21Å; Y563-K567 HydrophobicContact CE1-CD 3.78Å; Y563-K567 WeakPolarHBondContact O-CB 3.17Å; Y563-K567 PolarHBondContact O-N 2.87Å; T564-K567 PolarHBondContact O-N 2.91Å; K565-K567 VanDerWaalsContact C-N 3.31Å; K565-K567 PolarHBondContact O-N 3.32Å; K567-Y570 PolarHBondContact O-N 3.17Å; K567-E571 WeakPolarHBondContact CE-OE1 3.42Å; K567-E571 IonicContact NZ-OE1 3.24Å; K567-E571 WeakPolarHBondContact O-CB 3.32Å; K567-E571 VanDerWaalsContact O-CG 3.3Å; K567-E571 WeakPolarHBondContact O-CG 3.34Å; K567-E571 PolarHBondContact O-N 3.33Å |
| 568 | T | 88 | Confident | 88.9 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 176 | -62 | 0 | 0 | 0 | 0 | 111.3 | T564 K565 Y570 E571 E572 | T564-T568 WeakPolarHBondContact O-CB 3.5Å; T564-T568 PolarHBondContact O-N 3.04Å; T564-T568 PolarHBondContact O-OG1 3.49Å; T564-T568 VanDerWaalsContact O-OG1 3.09Å; K565-T568 PolarHBondContact O-N 2.81Å; T568-Y570 VanDerWaalsContact C-N 3.33Å; T568-Y570 PolarHBondContact O-N 3.35Å; T568-E571 PolarHBondContact O-N 3.11Å; T568-E572 HydrophobicContact CG2-CG 4.46Å; T568-E572 WeakPolarHBondContact O-CB 3.22Å; T568-E572 WeakPolarHBondContact O-CG 3.35Å; T568-E572 PolarHBondContact O-N 3.08Å |
| 569 | E | 88.8 | Confident | 88.9 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 175.7 | -172.4 | 167.1 | -176.2 | 0 | 0 | 112.1 | L481 K565 N566 A573 | L481-E569 HydrophobicContact CD1-CG 4.22Å; K565-E569 WeakPolarHBondContact O-CB 3.4Å; K565-E569 PolarHBondContact O-N 2.63Å; N566-E569 PolarHBondContact O-N 2.98Å; E569-A573 VanDerWaalsContact O-CB 3.28Å; E569-A573 WeakPolarHBondContact O-CB 3.17Å; E569-A573 PolarHBondContact O-N 3.2Å |
| 570 | Y | 86.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 172.9 | -176.9 | -83.2 | 0 | 0 | 0 | 111.7 | V470 L478 L481 R482 M485 N566 K567 T568 A573 Q574 | V470-Y570 PolarHBondContact O-OH 3.13Å; L478-Y570 HydrophobicContact CB-CD2 4.44Å; L478-Y570 HydrophobicContact CB-CE2 3.88Å; L478-Y570 HydrophobicContact CD2-CD2 3.71Å; L478-Y570 HydrophobicContact CD2-CE2 3.73Å; L478-Y570 HydrophobicContact CD2-CG 4.15Å; L478-Y570 HydrophobicContact CG-CE2 4.31Å; L478-Y570 WeakPolarHBondContact O-CE2 3.49Å; L481-Y570 HydrophobicContact CB-CD2 3.83Å; R482-Y570 HydrophobicContact CB-CE2 4.11Å; M485-Y570 HydrophobicContact CE-CD1 4.13Å; M485-Y570 HydrophobicContact CE-CD2 3.54Å; M485-Y570 HydrophobicContact CE-CE2 4.09Å; M485-Y570 HydrophobicContact CE-CG 3.56Å; N566-Y570 WeakPolarHBondContact O-CB 3.32Å; N566-Y570 PolarHBondContact O-N 3.26Å; K567-Y570 PolarHBondContact O-N 3.17Å; T568-Y570 VanDerWaalsContact C-N 3.33Å; T568-Y570 PolarHBondContact O-N 3.35Å; Y570-A573 PolarHBondContact O-N 3.08Å; Y570-Q574 WeakPolarHBondContact O-CB 3.45Å; Y570-Q574 PolarHBondContact O-N 2.97Å |
| 571 | E | 84.9 | Confident | 88.8 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.9 | -75.7 | 172 | -179.7 | 0 | 0 | 111.4 | K567 T568 Q574 D575 | K567-E571 WeakPolarHBondContact CE-OE1 3.42Å; K567-E571 IonicContact NZ-OE1 3.24Å; K567-E571 WeakPolarHBondContact O-CB 3.32Å; K567-E571 VanDerWaalsContact O-CG 3.3Å; K567-E571 WeakPolarHBondContact O-CG 3.34Å; K567-E571 PolarHBondContact O-N 3.33Å; T568-E571 PolarHBondContact O-N 3.11Å; E571-Q574 PolarHBondContact O-N 3.08Å; E571-D575 WeakPolarHBondContact O-CB 3.4Å; E571-D575 VanDerWaalsContact O-CG 3.28Å; E571-D575 PolarHBondContact O-N 3.31Å |
| 572 | E | 87.6 | Confident | 89 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 177.9 | -73 | 180 | -179.3 | 0 | 0 | 112.6 | T568 D575 A576 | T568-E572 HydrophobicContact CG2-CG 4.46Å; T568-E572 WeakPolarHBondContact O-CB 3.22Å; T568-E572 WeakPolarHBondContact O-CG 3.35Å; T568-E572 PolarHBondContact O-N 3.08Å; E572-D575 PolarHBondContact O-N 3.38Å; E572-A576 PolarHBondContact O-N 3.1Å |
| 573 | A | 86.6 | Confident | 89 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L478 E569 Y570 A576 | L478-A573 HydrophobicContact CD2-CB 3.93Å; E569-A573 VanDerWaalsContact O-CB 3.28Å; E569-A573 WeakPolarHBondContact O-CB 3.17Å; E569-A573 PolarHBondContact O-N 3.2Å; Y570-A573 PolarHBondContact O-N 3.08Å; A573-A576 WeakPolarHBondContact O-CB 3.21Å; A573-A576 PolarHBondContact O-N 3.41Å |
| 574 | Q | 87.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.4 | -178.6 | -179.7 | -105.7 | 0 | 0 | 111.3 | V470 L478 Y570 E571 A576 I577 V578 | V470-Q574 HydrophobicContact CB-CG 3.96Å; V470-Q574 HydrophobicContact CG2-CG 3.65Å; L478-Q574 HydrophobicContact CD2-CB 4.33Å; Y570-Q574 WeakPolarHBondContact O-CB 3.45Å; Y570-Q574 PolarHBondContact O-N 2.97Å; E571-Q574 PolarHBondContact O-N 3.08Å; Q574-A576 PolarHBondContact O-N 3.43Å; Q574-I577 PolarHBondContact O-N 3.07Å; Q574-I577 VanDerWaalsContact O-N 3.11Å; Q574-V578 HydrophobicContact CG-CG2 4.18Å; Q574-V578 WeakPolarHBondContact O-CG2 3.41Å; Q574-V578 PolarHBondContact O-N 3.04Å |
| 575 | D | 85.6 | Confident | 89.4 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -30.9 | -179.4 | -82.4 | -5.6 | 0 | 0 | 0 | 112.8 | E571 E572 K579 | E571-D575 WeakPolarHBondContact O-CB 3.4Å; E571-D575 VanDerWaalsContact O-CG 3.28Å; E571-D575 PolarHBondContact O-N 3.31Å; E572-D575 PolarHBondContact O-N 3.38Å; D575-K579 VanDerWaalsContact O-CG 3.31Å; D575-K579 WeakPolarHBondContact O-CG 3.38Å; D575-K579 PolarHBondContact O-N 3.09Å |
| 576 | A | 87.7 | Confident | 89.5 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E572 A573 Q574 K579 E580 | E572-A576 PolarHBondContact O-N 3.1Å; A573-A576 WeakPolarHBondContact O-CB 3.21Å; A573-A576 PolarHBondContact O-N 3.41Å; Q574-A576 PolarHBondContact O-N 3.43Å; A576-K579 PolarHBondContact O-N 3.5Å; A576-E580 PolarHBondContact O-N 3.44Å |
| 577 | I | 88.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | 177.9 | -59.8 | 166.1 | 0 | 0 | 0 | 110.2 | V470 F474 D475 L478 Q574 K579 E580 I581 | V470-I577 HydrophobicContact CG1-CG2 4.38Å; V470-I577 HydrophobicContact CG2-CG2 4.41Å; F474-I577 HydrophobicContact CD1-CG2 4.4Å; F474-I577 HydrophobicContact CE1-CG2 3.97Å; D475-I577 HydrophobicContact CB-CD1 4.04Å; L478-I577 HydrophobicContact CD1-CD1 3.75Å; L478-I577 HydrophobicContact CG-CD1 4.4Å; Q574-I577 PolarHBondContact O-N 3.07Å; Q574-I577 VanDerWaalsContact O-N 3.11Å; I577-K579 VanDerWaalsContact C-N 3.31Å; I577-K579 PolarHBondContact O-N 3.2Å; I577-E580 WeakPolarHBondContact O-CB 3.22Å; I577-E580 PolarHBondContact O-N 3.4Å; I577-E580 VanDerWaalsContact O-N 3.11Å; I577-I581 HydrophobicContact CG2-CD1 3.94Å; I577-I581 HydrophobicContact CG2-CG1 4.34Å; I577-I581 WeakPolarHBondContact O-CG1 3.07Å; I577-I581 PolarHBondContact O-N 3.24Å |
| 578 | V | 91.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L401 V470 Q574 E580 I581 V582 | L401-V578 HydrophobicContact CB-CG1 4.3Å; L401-V578 HydrophobicContact CB-CG2 4.48Å; L401-V578 HydrophobicContact CD2-CG2 4.3Å; V470-V578 HydrophobicContact CG2-CG2 3.78Å; Q574-V578 HydrophobicContact CG-CG2 4.18Å; Q574-V578 WeakPolarHBondContact O-CG2 3.41Å; Q574-V578 PolarHBondContact O-N 3.04Å; V578-E580 VanDerWaalsContact C-N 3.31Å; V578-E580 PolarHBondContact O-N 3.15Å; V578-I581 PolarHBondContact O-N 3.32Å; V578-V582 HydrophobicContact CG1-CG2 4.4Å; V578-V582 WeakPolarHBondContact O-CB 3.42Å; V578-V582 VanDerWaalsContact O-CG2 3.29Å; V578-V582 WeakPolarHBondContact O-CG2 3.41Å; V578-V582 PolarHBondContact O-N 3.29Å |
| 579 | K | 90.6 | Very high | 90.3 | Very high | 150 Ų | 150 | 54.3 Ų | 54.3 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 174.9 | -77.3 | 171.4 | -176.1 | 167.3 | 0 | 112.2 | D575 A576 I577 V582 N583 | D575-K579 VanDerWaalsContact O-CG 3.31Å; D575-K579 WeakPolarHBondContact O-CG 3.38Å; D575-K579 PolarHBondContact O-N 3.09Å; A576-K579 PolarHBondContact O-N 3.5Å; I577-K579 VanDerWaalsContact C-N 3.31Å; I577-K579 PolarHBondContact O-N 3.2Å; K579-V582 PolarHBondContact O-N 3.43Å; K579-N583 WeakPolarHBondContact O-CB 3.35Å; K579-N583 PolarHBondContact O-N 2.95Å |
| 580 | E | 91.3 | Very high | 90.4 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -44.9 | 176.1 | -171.3 | 174.2 | -174.9 | 0 | 0 | 111.7 | A576 I577 V578 V582 N583 I584 | A576-E580 PolarHBondContact O-N 3.44Å; I577-E580 WeakPolarHBondContact O-CB 3.22Å; I577-E580 PolarHBondContact O-N 3.4Å; I577-E580 VanDerWaalsContact O-N 3.11Å; V578-E580 VanDerWaalsContact C-N 3.31Å; V578-E580 PolarHBondContact O-N 3.15Å; E580-V582 VanDerWaalsContact C-N 3.32Å; E580-V582 PolarHBondContact O-N 3.38Å; E580-N583 WeakPolarHBondContact O-CB 3.39Å; E580-N583 PolarHBondContact O-N 3.03Å; E580-N583 VanDerWaalsContact O-N 3.14Å; E580-I584 HydrophobicContact CG-CD1 4.22Å; E580-I584 WeakPolarHBondContact O-CG1 3.29Å; E580-I584 PolarHBondContact O-N 3.16Å |
| 581 | I | 92.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 174.6 | -69.3 | 170.1 | 0 | 0 | 0 | 110.7 | L401 M453 I454 T457 I577 V578 N583 I584 S585 | L401-I581 HydrophobicContact CD1-CD1 4.41Å; L401-I581 HydrophobicContact CD1-CG2 4.47Å; M453-I581 HydrophobicContact CE-CG2 3.96Å; M453-I581 HydrophobicContact SD-CG2 4.48Å; I454-I581 HydrophobicContact CD1-CG2 3.95Å; T457-I581 HydrophobicContact CG2-CD1 4.13Å; I577-I581 HydrophobicContact CG2-CD1 3.94Å; I577-I581 HydrophobicContact CG2-CG1 4.34Å; I577-I581 WeakPolarHBondContact O-CG1 3.07Å; I577-I581 PolarHBondContact O-N 3.24Å; V578-I581 PolarHBondContact O-N 3.32Å; I581-N583 VanDerWaalsContact C-N 3.33Å; I581-N583 PolarHBondContact O-N 3Å; I581-I584 PolarHBondContact O-N 3.41Å; I581-S585 WeakPolarHBondContact O-CB 3.36Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.42Å |
| 582 | V | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 111 | F394 A399 V578 K579 E580 S585 S586 | F394-V582 HydrophobicContact CD1-CG1 4.17Å; A399-V582 HydrophobicContact CB-CG1 4.08Å; A399-V582 WeakPolarHBondContact O-CG2 3.16Å; V578-V582 HydrophobicContact CG1-CG2 4.4Å; V578-V582 WeakPolarHBondContact O-CB 3.42Å; V578-V582 VanDerWaalsContact O-CG2 3.29Å; V578-V582 WeakPolarHBondContact O-CG2 3.41Å; V578-V582 PolarHBondContact O-N 3.29Å; K579-V582 PolarHBondContact O-N 3.43Å; E580-V582 VanDerWaalsContact C-N 3.32Å; E580-V582 PolarHBondContact O-N 3.38Å; V582-S585 WeakPolarHBondContact O-CB 3.37Å; V582-S585 PolarHBondContact O-N 3.27Å; V582-S586 PolarHBondContact O-N 3.08Å |
| 583 | N | 92.9 | Very high | 91.4 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.6 | -175.8 | 57 | 0 | 0 | 0 | 112 | K579 E580 I581 S585 S586 | K579-N583 WeakPolarHBondContact O-CB 3.35Å; K579-N583 PolarHBondContact O-N 2.95Å; E580-N583 WeakPolarHBondContact O-CB 3.39Å; E580-N583 PolarHBondContact O-N 3.03Å; E580-N583 VanDerWaalsContact O-N 3.14Å; I581-N583 VanDerWaalsContact C-N 3.33Å; I581-N583 PolarHBondContact O-N 3Å; N583-S585 VanDerWaalsContact C-N 3.31Å; N583-S585 PolarHBondContact O-N 2.79Å; N583-S586 WeakPolarHBondContact O-CB 3.34Å; N583-S586 PolarHBondContact O-N 2.8Å; N583-S586 PolarHBondContact O-OG 3.04Å |
| 584 | I | 94.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.5 | -65 | 166.3 | 0 | 0 | 0 | 110.2 | M453 E580 I581 S586 G587 Y588 | M453-I584 HydrophobicContact CE-CG2 4.38Å; M453-I584 HydrophobicContact SD-CB 4.07Å; M453-I584 HydrophobicContact SD-CD1 4.13Å; M453-I584 HydrophobicContact SD-CG2 3.7Å; E580-I584 HydrophobicContact CG-CD1 4.22Å; E580-I584 WeakPolarHBondContact O-CG1 3.29Å; E580-I584 PolarHBondContact O-N 3.16Å; I581-I584 PolarHBondContact O-N 3.41Å; I584-S586 PolarHBondContact O-N 3.48Å; I584-G587 PolarHBondContact O-N 3.44Å; I584-Y588 HydrophobicContact CG2-CE2 4.43Å |
| 585 | S | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -31.4 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | F394 F450 I581 V582 N583 G587 Y588 | F394-S585 VanDerWaalsContact CE1-CB 3.45Å; F450-S585 WeakPolarHBondContact CE2-OG 3.45Å; I581-S585 WeakPolarHBondContact O-CB 3.36Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.42Å; V582-S585 WeakPolarHBondContact O-CB 3.37Å; V582-S585 PolarHBondContact O-N 3.27Å; N583-S585 VanDerWaalsContact C-N 3.31Å; N583-S585 PolarHBondContact O-N 2.79Å; S585-G587 PolarHBondContact O-N 3.27Å; S585-Y588 PolarHBondContact O-N 3.04Å |
| 586 | S | 92 | Very high | 92.7 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -23.6 | 175.6 | 79 | 0 | 0 | 0 | 0 | 113.5 | Q397 V582 N583 I584 Y588 V589 | Q397-S586 PolarHBondContact NE2-OG 3.28Å; V582-S586 PolarHBondContact O-N 3.08Å; N583-S586 WeakPolarHBondContact O-CB 3.34Å; N583-S586 PolarHBondContact O-N 2.8Å; N583-S586 PolarHBondContact O-OG 3.04Å; I584-S586 PolarHBondContact O-N 3.48Å; S586-Y588 PolarHBondContact O-N 3.25Å; S586-V589 WeakPolarHBondContact O-CB 3.39Å; S586-V589 WeakPolarHBondContact O-CG2 3.34Å; S586-V589 PolarHBondContact O-N 3.41Å |
| 587 | G | 92 | Very high | 93 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 65% | 0.649 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | I584 S585 | I584-G587 PolarHBondContact O-N 3.44Å; S585-G587 PolarHBondContact O-N 3.27Å |
| 588 | Y | 95.4 | Very high | 93.4 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10 | 179.7 | -64 | -87.1 | 0 | 0 | 0 | 113.6 | D446 F447 K449 F450 I584 S585 S586 E590 P591 M592 | D446-Y588 VanDerWaalsContact O-CE1 3.31Å; D446-Y588 WeakPolarHBondContact O-CE1 3.32Å; F447-Y588 HydrophobicContact CD1-CD1 4.06Å; F447-Y588 HydrophobicContact CD1-CG 4.46Å; F447-Y588 HydrophobicContact CE1-CD1 4.23Å; F447-Y588 HydrophobicContact CE1-CG 4.37Å; K449-Y588 WeakPolarHBondContact CB-OH 3.35Å; F450-Y588 HydrophobicContact CB-CD2 4.28Å; F450-Y588 HydrophobicContact CB-CE1 4.26Å; F450-Y588 HydrophobicContact CB-CE2 4.02Å; F450-Y588 HydrophobicContact CD2-CD2 4.32Å; I584-Y588 HydrophobicContact CG2-CE2 4.43Å; S585-Y588 PolarHBondContact O-N 3.04Å; S586-Y588 PolarHBondContact O-N 3.25Å; Y588-E590 VanDerWaalsContact C-N 3.31Å; Y588-E590 PolarHBondContact O-N 3.29Å; Y588-P591 WeakPolarHBondContact O-CD 3.2Å; Y588-M592 WeakPolarHBondContact O-CB 3.41Å; Y588-M592 VanDerWaalsContact O-CG 3.29Å; Y588-M592 WeakPolarHBondContact O-CG 3.39Å; Y588-M592 PolarHBondContact O-N 2.74Å |
| 589 | V | 91.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.4 | -42.4 | -179.4 | 163.3 | 0 | 0 | 0 | 0 | 112.7 | A391 F394 S586 M592 Q593 | A391-V589 HydrophobicContact CB-CG1 4.3Å; A391-V589 HydrophobicContact CB-CG2 4.48Å; F394-V589 HydrophobicContact CB-CG2 4.14Å; S586-V589 WeakPolarHBondContact O-CB 3.39Å; S586-V589 WeakPolarHBondContact O-CG2 3.34Å; S586-V589 PolarHBondContact O-N 3.41Å; V589-M592 HydrophobicContact CB-CE 4.38Å; V589-M592 HydrophobicContact CG2-CE 3.92Å; V589-M592 WeakPolarHBondContact O-CB 3.35Å; V589-M592 PolarHBondContact O-N 3.21Å; V589-Q593 VanDerWaalsContact O-CG 3.31Å; V589-Q593 WeakPolarHBondContact O-CG 3.46Å; V589-Q593 PolarHBondContact O-N 3.43Å |
| 590 | E | 90.9 | Very high | 94 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.9 | -47.6 | -179.9 | -171.4 | -128.6 | -124.1 | 0 | 0 | 113.4 | K246 Y588 M592 Q593 T594 | K246-E590 IonicContact NZ-OE1 2.75Å; K246-E590 PolarHBondContact NZ-OE1 3.04Å; Y588-E590 VanDerWaalsContact C-N 3.31Å; Y588-E590 PolarHBondContact O-N 3.29Å; E590-M592 PolarHBondContact O-N 2.95Å; E590-M592 VanDerWaalsContact O-N 3.17Å; E590-Q593 PolarHBondContact O-N 2.96Å; E590-T594 PolarHBondContact O-N 3.32Å; E590-T594 PolarHBondContact O-OG1 3.3Å |
| 591 | P | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.9 | -38.1 | 169.9 | -29.9 | 34.2 | 0 | 0 | 0 | 113.1 | L443 F447 Y588 T594 L595 | L443-P591 HydrophobicContact CD2-CB 4.22Å; L443-P591 WeakPolarHBondContact CD2-O 3.5Å; F447-P591 HydrophobicContact CE1-CB 4.25Å; F447-P591 HydrophobicContact CE2-CB 4Å; F447-P591 HydrophobicContact CZ-CB 3.69Å; Y588-P591 WeakPolarHBondContact O-CD 3.2Å; P591-T594 PolarHBondContact O-N 3.45Å; P591-L595 WeakPolarHBondContact O-CB 3.29Å; P591-L595 PolarHBondContact O-N 3.17Å |
| 592 | M | 93.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.1 | -73.7 | -170.9 | -72.5 | 0 | 0 | 112.7 | A391 F394 L407 F447 Y588 V589 E590 L595 N596 | A391-M592 HydrophobicContact CB-CB 4.26Å; A391-M592 HydrophobicContact CB-CE 3.94Å; A391-M592 HydrophobicContact CB-SD 4.47Å; F394-M592 HydrophobicContact CD2-CE 3.82Å; F394-M592 HydrophobicContact CD2-SD 4.34Å; F394-M592 HydrophobicContact CE2-CE 4.45Å; F394-M592 HydrophobicContact CE2-SD 4.47Å; F394-M592 HydrophobicContact CG-CE 4.42Å; L407-M592 HydrophobicContact CD1-CG 4.01Å; L407-M592 HydrophobicContact CD1-SD 3.56Å; L407-M592 VanDerWaalsContact CD1-SD 3.56Å; L407-M592 HydrophobicContact CD2-CE 4.34Å; L407-M592 HydrophobicContact CD2-CG 4.34Å; L407-M592 HydrophobicContact CD2-SD 3.29Å; L407-M592 WeakPolarHBondContact CD2-SD 2.95Å; L407-M592 HydrophobicContact CG-SD 4.06Å; F447-M592 HydrophobicContact CE1-CG 3.69Å; F447-M592 HydrophobicContact CZ-CB 4.23Å; F447-M592 HydrophobicContact CZ-CG 3.49Å; F447-M592 VanDerWaalsContact CZ-CG 3.49Å; Y588-M592 WeakPolarHBondContact O-CB 3.41Å; Y588-M592 VanDerWaalsContact O-CG 3.29Å; Y588-M592 WeakPolarHBondContact O-CG 3.39Å; Y588-M592 PolarHBondContact O-N 2.74Å; V589-M592 HydrophobicContact CB-CE 4.38Å; V589-M592 HydrophobicContact CG2-CE 3.92Å; V589-M592 WeakPolarHBondContact O-CB 3.35Å; V589-M592 PolarHBondContact O-N 3.21Å; E590-M592 PolarHBondContact O-N 2.95Å; E590-M592 VanDerWaalsContact O-N 3.17Å; M592-L595 PolarHBondContact O-N 3.19Å; M592-N596 PolarHBondContact O-N 2.83Å |
| 593 | Q | 91.1 | Very high | 94.9 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 177 | -73.5 | 170.2 | -9.9 | 0 | 0 | 111.7 | A391 V589 E590 N596 D597 | A391-Q593 HydrophobicContact CB-CG 4.49Å; V589-Q593 VanDerWaalsContact O-CG 3.31Å; V589-Q593 WeakPolarHBondContact O-CG 3.46Å; V589-Q593 PolarHBondContact O-N 3.43Å; E590-Q593 PolarHBondContact O-N 2.96Å; Q593-N596 VanDerWaalsContact O-CB 3.28Å; Q593-N596 WeakPolarHBondContact O-CB 3.5Å; Q593-N596 PolarHBondContact O-N 3.12Å; Q593-D597 PolarHBondContact O-N 3.02Å |
| 594 | T | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 39% | 0.387 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 173.6 | -56.5 | 0 | 0 | 0 | 0 | 111 | L443 E590 P591 N596 D597 V598 | L443-T594 HydrophobicContact CD1-CG2 4.28Å; L443-T594 HydrophobicContact CD2-CG2 4.26Å; E590-T594 PolarHBondContact O-N 3.32Å; E590-T594 PolarHBondContact O-OG1 3.3Å; P591-T594 PolarHBondContact O-N 3.45Å; T594-N596 VanDerWaalsContact C-N 3.27Å; T594-N596 PolarHBondContact O-N 3.34Å; T594-D597 PolarHBondContact O-N 2.99Å; T594-V598 WeakPolarHBondContact O-CG2 3.21Å; T594-V598 PolarHBondContact O-N 2.86Å; T594-V598 VanDerWaalsContact O-N 3.15Å |
| 595 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.5 | -177.7 | 61.9 | 0 | 0 | 0 | 112.2 | L387 L414 L440 L443 F447 P591 M592 D597 L599 | L387-L595 HydrophobicContact CD1-CB 3.92Å; L387-L595 HydrophobicContact CD1-CD2 3.61Å; L387-L595 HydrophobicContact CD1-CG 3.53Å; L414-L595 HydrophobicContact CD1-CD1 4.18Å; L414-L595 HydrophobicContact CD1-CD2 4.09Å; L414-L595 HydrophobicContact CD2-CD1 4.37Å; L414-L595 HydrophobicContact CD2-CD2 4.4Å; L414-L595 HydrophobicContact CG-CD1 4.48Å; L440-L595 HydrophobicContact CD2-CD1 3.59Å; L443-L595 HydrophobicContact CD1-CB 3.86Å; L443-L595 HydrophobicContact CD1-CD1 3.86Å; L443-L595 HydrophobicContact CD1-CG 4.46Å; L443-L595 HydrophobicContact CD2-CB 4.49Å; F447-L595 HydrophobicContact CE2-CB 4.5Å; F447-L595 HydrophobicContact CE2-CD2 4Å; P591-L595 WeakPolarHBondContact O-CB 3.29Å; P591-L595 PolarHBondContact O-N 3.17Å; M592-L595 PolarHBondContact O-N 3.19Å; L595-D597 PolarHBondContact O-N 3.16Å; L595-L599 HydrophobicContact CD1-CD1 3.97Å; L595-L599 HydrophobicContact CD1-CG 3.91Å; L595-L599 HydrophobicContact CD2-CD1 4.44Å; L595-L599 HydrophobicContact CG-CD1 3.87Å; L595-L599 HydrophobicContact CG-CG 4.23Å; L595-L599 WeakPolarHBondContact O-CB 3.29Å; L595-L599 WeakPolarHBondContact O-CG 3.18Å; L595-L599 PolarHBondContact O-N 2.92Å |
| 596 | N | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.1 | -50.4 | 175 | 176.2 | 93.8 | 0 | 0 | 0 | 111.5 | Q337 L387 N388 M592 Q593 T594 A600 | Q337-N596 WeakPolarHBondContact CB-OD1 3.43Å; L387-N596 HydrophobicContact CB-CB 3.91Å; L387-N596 HydrophobicContact CD1-CB 4.49Å; N388-N596 PolarHBondContact N-OD1 3.31Å; N388-N596 PolarHBondContact ND2-ND2 3.03Å; N388-N596 VanDerWaalsContact ND2-ND2 3.14Å; N388-N596 VanDerWaalsContact OD1-CB 3.28Å; N388-N596 WeakPolarHBondContact OD1-CB 3.5Å; N388-N596 VanDerWaalsContact OD1-CG 3.29Å; M592-N596 PolarHBondContact O-N 2.83Å; Q593-N596 VanDerWaalsContact O-CB 3.28Å; Q593-N596 WeakPolarHBondContact O-CB 3.5Å; Q593-N596 PolarHBondContact O-N 3.12Å; T594-N596 VanDerWaalsContact C-N 3.27Å; T594-N596 PolarHBondContact O-N 3.34Å; N596-A600 VanDerWaalsContact O-CB 3.23Å; N596-A600 WeakPolarHBondContact O-CB 3.46Å; N596-A600 PolarHBondContact O-N 3.47Å |
| 597 | D | 94.4 | Very high | 95.8 | Very high | 69 Ų | 69 | 23.5 Ų | 23.5 | 37% | 0.369 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -71.5 | -38.5 | -174.6 | -69.3 | -12.3 | 0 | 0 | 0 | 112 | Q593 T594 L595 A600 Q601 | Q593-D597 PolarHBondContact O-N 3.02Å; T594-D597 PolarHBondContact O-N 2.99Å; L595-D597 PolarHBondContact O-N 3.16Å; D597-A600 PolarHBondContact O-N 2.8Å; D597-Q601 PolarHBondContact O-N 3.09Å |
| 598 | V | 97.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 12% | 0.115 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | F436 P439 L440 L443 T594 A600 Q601 L602 | F436-V598 HydrophobicContact CD1-CG1 4.22Å; P439-V598 HydrophobicContact CB-CG2 4.26Å; L440-V598 HydrophobicContact CD2-CG1 3.79Å; L440-V598 HydrophobicContact CG-CG1 3.95Å; L443-V598 HydrophobicContact CD1-CG2 4.47Å; T594-V598 WeakPolarHBondContact O-CG2 3.21Å; T594-V598 PolarHBondContact O-N 2.86Å; T594-V598 VanDerWaalsContact O-N 3.15Å; V598-A600 VanDerWaalsContact C-N 3.34Å; V598-A600 PolarHBondContact O-N 2.9Å; V598-Q601 PolarHBondContact O-N 3.05Å; V598-L602 PolarHBondContact O-N 3.46Å |
| 599 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.4 | -36.3 | 176.9 | -71.9 | 177.7 | 0 | 0 | 0 | 112.2 | F384 L387 L440 L595 L602 D603 | F384-L599 HydrophobicContact CB-CD1 4.18Å; F384-L599 HydrophobicContact CD1-CD1 3.49Å; F384-L599 VanDerWaalsContact CD1-CD1 3.49Å; F384-L599 HydrophobicContact CD2-CD1 4.37Å; F384-L599 HydrophobicContact CE1-CD1 3.91Å; F384-L599 HydrophobicContact CE2-CD2 4.38Å; F384-L599 HydrophobicContact CG-CD1 3.74Å; F384-L599 HydrophobicContact CZ-CD2 4.37Å; L387-L599 HydrophobicContact CD1-CD1 3.87Å; L440-L599 HydrophobicContact CD2-CD2 4.36Å; L595-L599 HydrophobicContact CD1-CD1 3.97Å; L595-L599 HydrophobicContact CD1-CG 3.91Å; L595-L599 HydrophobicContact CD2-CD1 4.44Å; L595-L599 HydrophobicContact CG-CD1 3.87Å; L595-L599 HydrophobicContact CG-CG 4.23Å; L595-L599 WeakPolarHBondContact O-CB 3.29Å; L595-L599 WeakPolarHBondContact O-CG 3.18Å; L595-L599 PolarHBondContact O-N 2.92Å; L599-L602 PolarHBondContact O-N 2.84Å; L599-D603 VanDerWaalsContact O-CB 3.31Å; L599-D603 WeakPolarHBondContact O-CB 3.48Å; L599-D603 PolarHBondContact O-N 3.37Å |
| 600 | A | 96.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q337 L341 N596 D597 V598 D603 A604 | Q337-A600 HydrophobicContact CB-CB 3.92Å; Q337-A600 HydrophobicContact CG-CB 3.98Å; L341-A600 HydrophobicContact CB-CB 4.14Å; L341-A600 VanDerWaalsContact CD2-C 3.45Å; L341-A600 HydrophobicContact CD2-CB 3.78Å; N596-A600 VanDerWaalsContact O-CB 3.23Å; N596-A600 WeakPolarHBondContact O-CB 3.46Å; N596-A600 PolarHBondContact O-N 3.47Å; D597-A600 PolarHBondContact O-N 2.8Å; V598-A600 VanDerWaalsContact C-N 3.34Å; V598-A600 PolarHBondContact O-N 2.9Å; A600-D603 PolarHBondContact O-N 3.14Å; A600-A604 VanDerWaalsContact O-CB 3.26Å; A600-A604 WeakPolarHBondContact O-CB 3.37Å; A600-A604 PolarHBondContact O-N 2.88Å |
| 601 | Q | 98.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 17.1 Ų | 17.1 | 27% | 0.271 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.7 | -177.7 | 174.5 | -12.8 | 0 | 0 | 111.4 | L341 W345 F436 D597 V598 A604 V605 | L341-Q601 HydrophobicContact CD2-CB 4.29Å; W345-Q601 HydrophobicContact CH2-CG 4.31Å; W345-Q601 HydrophobicContact CZ2-CG 4.38Å; F436-Q601 HydrophobicContact CE1-CB 4.16Å; F436-Q601 HydrophobicContact CE1-CG 3.96Å; F436-Q601 HydrophobicContact CZ-CG 4.04Å; D597-Q601 PolarHBondContact O-N 3.09Å; V598-Q601 PolarHBondContact O-N 3.05Å; Q601-A604 PolarHBondContact O-N 3.29Å; Q601-V605 WeakPolarHBondContact O-CG2 3.23Å; Q601-V605 PolarHBondContact O-N 3.38Å; Q601-V605 VanDerWaalsContact O-N 3.14Å |
| 602 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.9 | -50.3 | 176.2 | -178.7 | 60.6 | 0 | 0 | 0 | 111.9 | F366 L376 L381 V417 L421 F436 V598 L599 A604 V605 V606 | F366-L602 HydrophobicContact CE1-CD1 4.23Å; F366-L602 HydrophobicContact CE2-CD1 4.17Å; F366-L602 HydrophobicContact CZ-CD1 3.5Å; F366-L602 VanDerWaalsContact CZ-CD1 3.5Å; L376-L602 HydrophobicContact CD1-CD1 4.18Å; L376-L602 HydrophobicContact CD2-CD2 4.46Å; L381-L602 HydrophobicContact CD2-CD2 4.36Å; V417-L602 HydrophobicContact CG1-CD2 3.95Å; L421-L602 HydrophobicContact CD2-CD1 4.34Å; F436-L602 HydrophobicContact CD1-CB 4.14Å; F436-L602 HydrophobicContact CD1-CD1 4.39Å; F436-L602 HydrophobicContact CD2-CD1 4.11Å; F436-L602 HydrophobicContact CE1-CB 3.78Å; F436-L602 HydrophobicContact CE1-CD1 4.31Å; F436-L602 HydrophobicContact CE2-CD1 3.98Å; F436-L602 HydrophobicContact CG-CD1 4.3Å; F436-L602 HydrophobicContact CZ-CB 4.17Å; F436-L602 HydrophobicContact CZ-CD1 4.1Å; V598-L602 PolarHBondContact O-N 3.46Å; L599-L602 PolarHBondContact O-N 2.84Å; L602-A604 VanDerWaalsContact C-N 3.29Å; L602-A604 PolarHBondContact O-N 3.11Å; L602-V605 VanDerWaalsContact O-CG2 3.26Å; L602-V605 WeakPolarHBondContact O-CG2 3.41Å; L602-V605 PolarHBondContact O-N 2.96Å; L602-V606 HydrophobicContact CD1-CG2 4.26Å; L602-V606 WeakPolarHBondContact O-CB 3.45Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.24Å; L602-V606 PolarHBondContact O-N 2.6Å |
| 603 | D | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -35.9 | 179.1 | -169.8 | 16.6 | 0 | 0 | 0 | 111.8 | C333 K334 T335 L381 L599 A600 S607 | C333-D603 VanDerWaalsContact CA-OD1 3.26Å; C333-D603 WeakPolarHBondContact CA-OD1 3.45Å; C333-D603 VanDerWaalsContact CB-OD2 3.29Å; C333-D603 WeakPolarHBondContact CB-OD2 3.29Å; C333-D603 PolarHBondContact SG-O 3.5Å; C333-D603 VanDerWaalsContact SG-O 3.4Å; K334-D603 PolarHBondContact N-OD1 2.79Å; K334-D603 PolarHBondContact N-OD2 2.83Å; K334-D603 VanDerWaalsContact N-OD2 3.08Å; T335-D603 WeakPolarHBondContact CB-OD2 3.25Å; T335-D603 PolarHBondContact N-OD2 3.11Å; T335-D603 PolarHBondContact OG1-OD2 2.92Å; L381-D603 HydrophobicContact CD1-CB 4.17Å; L381-D603 HydrophobicContact CD2-CB 4.25Å; L599-D603 VanDerWaalsContact O-CB 3.31Å; L599-D603 WeakPolarHBondContact O-CB 3.48Å; L599-D603 PolarHBondContact O-N 3.37Å; A600-D603 PolarHBondContact O-N 3.14Å; D603-S607 VanDerWaalsContact O-CB 3.27Å; D603-S607 WeakPolarHBondContact O-CB 3.5Å; D603-S607 PolarHBondContact O-N 3.37Å |
| 604 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.2 | -48.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L341 V342 W345 A600 Q601 L602 S607 F608 | L341-A604 HydrophobicContact CD2-CB 4.22Å; V342-A604 HydrophobicContact CG2-CB 3.59Å; W345-A604 HydrophobicContact CE3-CB 4.14Å; W345-A604 HydrophobicContact CH2-CB 3.72Å; W345-A604 HydrophobicContact CZ2-CB 4.46Å; W345-A604 HydrophobicContact CZ3-CB 3.53Å; A600-A604 VanDerWaalsContact O-CB 3.26Å; A600-A604 WeakPolarHBondContact O-CB 3.37Å; A600-A604 PolarHBondContact O-N 2.88Å; Q601-A604 PolarHBondContact O-N 3.29Å; L602-A604 VanDerWaalsContact C-N 3.29Å; L602-A604 PolarHBondContact O-N 3.11Å; A604-S607 WeakPolarHBondContact O-CB 3.42Å; A604-S607 PolarHBondContact O-N 3.3Å; A604-F608 PolarHBondContact O-N 3.06Å |
| 605 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.4 | -34.4 | 179.7 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | W345 R359 L362 V363 F366 F436 Q601 L602 S607 F608 A609 | W345-V605 HydrophobicContact CH2-CG1 4.14Å; W345-V605 HydrophobicContact CZ3-CG1 4.3Å; R359-V605 HydrophobicContact CG-CG1 4.33Å; L362-V605 HydrophobicContact CB-CB 4.28Å; L362-V605 HydrophobicContact CB-CG1 4.01Å; L362-V605 HydrophobicContact CB-CG2 4.38Å; L362-V605 HydrophobicContact CD1-CG1 4.24Å; V363-V605 HydrophobicContact CG2-CB 4.15Å; V363-V605 HydrophobicContact CG2-CG1 4.35Å; F366-V605 HydrophobicContact CD2-CB 4.44Å; F366-V605 HydrophobicContact CD2-CG2 3.85Å; F366-V605 HydrophobicContact CE2-CB 4.48Å; F366-V605 HydrophobicContact CE2-CG2 3.48Å; F366-V605 VanDerWaalsContact CE2-CG2 3.48Å; F366-V605 HydrophobicContact CZ-CG2 4.45Å; F436-V605 HydrophobicContact CE2-CG2 4.32Å; F436-V605 HydrophobicContact CZ-CG2 4.07Å; Q601-V605 WeakPolarHBondContact O-CG2 3.23Å; Q601-V605 PolarHBondContact O-N 3.38Å; Q601-V605 VanDerWaalsContact O-N 3.14Å; L602-V605 VanDerWaalsContact O-CG2 3.26Å; L602-V605 WeakPolarHBondContact O-CG2 3.41Å; L602-V605 PolarHBondContact O-N 2.96Å; V605-S607 VanDerWaalsContact C-N 3.35Å; V605-F608 PolarHBondContact O-N 2.83Å; V605-A609 PolarHBondContact O-N 2.81Å |
| 606 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 172.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | F366 R373 L376 Q377 L381 L602 F608 A609 H610 | F366-V606 HydrophobicContact CD1-CG2 3.97Å; F366-V606 HydrophobicContact CD2-CG2 4.27Å; F366-V606 HydrophobicContact CE1-CG2 3.98Å; F366-V606 HydrophobicContact CE2-CG2 4.32Å; F366-V606 HydrophobicContact CG-CG2 4.13Å; F366-V606 HydrophobicContact CZ-CG2 4.17Å; R373-V606 HydrophobicContact CG-CG1 4.35Å; L376-V606 HydrophobicContact CB-CG2 4.41Å; L376-V606 HydrophobicContact CD1-CG2 4.07Å; Q377-V606 HydrophobicContact CB-CG1 3.74Å; Q377-V606 HydrophobicContact CG-CG1 4.19Å; L381-V606 HydrophobicContact CD1-CB 4.32Å; L381-V606 HydrophobicContact CD1-CG1 4.15Å; L381-V606 HydrophobicContact CD1-CG2 4.47Å; L602-V606 HydrophobicContact CD1-CG2 4.26Å; L602-V606 WeakPolarHBondContact O-CB 3.45Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.24Å; L602-V606 PolarHBondContact O-N 2.6Å; V606-F608 PolarHBondContact O-N 2.94Å; V606-A609 PolarHBondContact O-N 3.39Å; V606-H610 WeakPolarHBondContact O-CB 3.32Å; V606-H610 PolarHBondContact O-N 3.38Å |
| 607 | S | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | L330 K332 C333 D603 A604 V605 H610 V611 | L330-S607 PolarHBondContact O-OG 3.36Å; K332-S607 WeakPolarHBondContact CA-OG 3.33Å; K332-S607 PolarHBondContact N-OG 2.87Å; C333-S607 PolarHBondContact N-OG 2.7Å; C333-S607 VanDerWaalsContact SG-CB 3.58Å; D603-S607 VanDerWaalsContact O-CB 3.27Å; D603-S607 WeakPolarHBondContact O-CB 3.5Å; D603-S607 PolarHBondContact O-N 3.37Å; A604-S607 WeakPolarHBondContact O-CB 3.42Å; A604-S607 PolarHBondContact O-N 3.3Å; V605-S607 VanDerWaalsContact C-N 3.35Å; S607-H610 PolarHBondContact O-N 3.2Å; S607-V611 WeakPolarHBondContact O-CG2 3.2Å; S607-V611 PolarHBondContact O-N 3.19Å |
| 608 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.2 | -71 | -8.1 | 0 | 0 | 0 | 112.4 | L330 V342 W345 V363 A604 V605 V606 H610 V611 S612 I691 C693 | L330-F608 HydrophobicContact CB-CD1 4.41Å; L330-F608 HydrophobicContact CB-CE1 4.1Å; V342-F608 HydrophobicContact CG1-CE1 3.93Å; V342-F608 HydrophobicContact CG1-CZ 4.39Å; V342-F608 HydrophobicContact CG2-CE1 4.3Å; W345-F608 AromaticContact CE3-CE2 3.65Å; W345-F608 HydrophobicContact CE3-CE2 3.65Å; W345-F608 AromaticContact CE3-CZ 3.87Å; W345-F608 HydrophobicContact CE3-CZ 3.87Å; W345-F608 HydrophobicContact CZ3-CD2 4.48Å; W345-F608 AromaticContact CZ3-CE2 3.84Å; W345-F608 HydrophobicContact CZ3-CE2 3.84Å; W345-F608 HydrophobicContact CZ3-CZ 4.38Å; V363-F608 HydrophobicContact CG1-CB 4.27Å; V363-F608 HydrophobicContact CG2-CB 3.87Å; V363-F608 HydrophobicContact CG2-CD2 4.12Å; A604-F608 PolarHBondContact O-N 3.06Å; V605-F608 PolarHBondContact O-N 2.83Å; V606-F608 PolarHBondContact O-N 2.94Å; F608-H610 VanDerWaalsContact C-N 3.32Å; F608-H610 PolarHBondContact O-N 2.83Å; F608-V611 PolarHBondContact O-N 2.77Å; F608-S612 VanDerWaalsContact O-CB 3.24Å; F608-S612 WeakPolarHBondContact O-CB 3.44Å; F608-S612 PolarHBondContact O-N 3.22Å; F608-S612 PolarHBondContact O-OG 3.19Å; F608-I691 HydrophobicContact CE2-CG2 3.49Å; F608-I691 VanDerWaalsContact CE2-CG2 3.49Å; F608-I691 HydrophobicContact CZ-CG2 3.4Å; F608-C693 HydrophobicContact CB-CB 4.47Å; F608-C693 HydrophobicContact CD1-CB 4.45Å; F608-C693 HydrophobicContact CD2-CB 3.74Å; F608-C693 HydrophobicContact CE2-CB 4.02Å; F608-C693 HydrophobicContact CG-CB 3.99Å; F608-C693 HydrophobicContact CZ-CB 4.49Å |
| 609 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V363 F366 V367 V605 V606 N613 | V363-A609 HydrophobicContact CG1-CB 4.27Å; F366-A609 HydrophobicContact CB-CB 3.52Å; V367-A609 HydrophobicContact CG2-CB 3.72Å; V605-A609 PolarHBondContact O-N 2.81Å; V606-A609 PolarHBondContact O-N 3.39Å; A609-N613 WeakPolarHBondContact O-CB 3.47Å; A609-N613 PolarHBondContact O-N 2.98Å; A609-N613 VanDerWaalsContact O-N 3.09Å |
| 610 | H | 98.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 27.8 Ų | 27.8 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 176.6 | -178.8 | 75.8 | 0 | 0 | 0 | 113 | Q377 V606 S607 F608 S612 N613 G614 | Q377-H610 VanDerWaalsContact CD-CG 3.43Å; Q377-H610 VanDerWaalsContact NE2-CB 3.29Å; Q377-H610 PolarHBondContact NE2-CD2 3.08Å; Q377-H610 VanDerWaalsContact NE2-CD2 3.31Å; Q377-H610 PolarHBondContact OE1-ND1 3.41Å; V606-H610 WeakPolarHBondContact O-CB 3.32Å; V606-H610 PolarHBondContact O-N 3.38Å; S607-H610 PolarHBondContact O-N 3.2Å; F608-H610 VanDerWaalsContact C-N 3.32Å; F608-H610 PolarHBondContact O-N 2.83Å; H610-S612 VanDerWaalsContact C-N 3.28Å; H610-S612 PolarHBondContact O-N 3.04Å; H610-N613 PolarHBondContact O-N 3.15Å; H610-G614 PolarHBondContact O-N 3.28Å |
| 611 | V | 97.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | -179.8 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L329 L330 K332 S607 F608 N613 G614 A615 Y619 | L329-V611 HydrophobicContact CG-CG1 4.34Å; L329-V611 WeakPolarHBondContact O-CG2 3.23Å; L330-V611 HydrophobicContact CD2-CG1 4.03Å; K332-V611 HydrophobicContact CB-CG2 4.26Å; K332-V611 HydrophobicContact CG-CG2 3.54Å; S607-V611 WeakPolarHBondContact O-CG2 3.2Å; S607-V611 PolarHBondContact O-N 3.19Å; F608-V611 PolarHBondContact O-N 2.77Å; V611-N613 VanDerWaalsContact C-N 3.33Å; V611-N613 PolarHBondContact O-N 2.85Å; V611-G614 PolarHBondContact O-N 2.94Å; V611-A615 PolarHBondContact O-N 2.83Å; V611-A615 VanDerWaalsContact O-N 3.13Å; V611-Y619 HydrophobicContact CG1-CE2 4.39Å |
| 612 | S | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | F608 H610 P618 Y619 | F608-S612 VanDerWaalsContact O-CB 3.24Å; F608-S612 WeakPolarHBondContact O-CB 3.44Å; F608-S612 PolarHBondContact O-N 3.22Å; F608-S612 PolarHBondContact O-OG 3.19Å; H610-S612 VanDerWaalsContact C-N 3.28Å; H610-S612 PolarHBondContact O-N 3.04Å; S612-P618 VanDerWaalsContact O-CA 3.25Å; S612-P618 WeakPolarHBondContact O-CA 3.15Å; S612-Y619 PolarHBondContact O-N 3.17Å |
| 613 | N | 97.1 | Very high | 97.4 | Very high | 72 Ų | 72 | 30 Ų | 30 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -81.9 | -30.6 | 179.5 | -170.7 | 109 | 0 | 0 | 0 | 113.3 | R373 A609 H610 V611 A615 | R373-N613 VanDerWaalsContact NH1-CG 3.29Å; R373-N613 PolarHBondContact NH1-OD1 2.72Å; R373-N613 PolarHBondContact NH2-ND2 3.42Å; R373-N613 PolarHBondContact NH2-OD1 3.23Å; A609-N613 WeakPolarHBondContact O-CB 3.47Å; A609-N613 PolarHBondContact O-N 2.98Å; A609-N613 VanDerWaalsContact O-N 3.09Å; H610-N613 PolarHBondContact O-N 3.15Å; V611-N613 VanDerWaalsContact C-N 3.33Å; V611-N613 PolarHBondContact O-N 2.85Å; N613-A615 VanDerWaalsContact C-N 3.34Å |
| 614 | G | 94.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 64% | 0.639 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -85.1 | -3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H610 V611 | H610-G614 PolarHBondContact O-N 3.28Å; V611-G614 PolarHBondContact O-N 2.94Å |
| 615 | A | 95 | Very high | 97.5 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65 | 157.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V611 N613 V617 Y619 | V611-A615 PolarHBondContact O-N 2.83Å; V611-A615 VanDerWaalsContact O-N 3.13Å; N613-A615 VanDerWaalsContact C-N 3.34Å; A615-V617 PolarHBondContact O-N 3.31Å; A615-Y619 HydrophobicContact CB-CD1 3.72Å; A615-Y619 HydrophobicContact CB-CE1 3.38Å |
| 616 | P | 93.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -53 | -41 | 179.8 | -29.9 | 38.5 | 0 | 0 | 0 | 113.4 | E643 V644 | P616-E643 HydrophobicContact CB-CG 4.45Å; P616-E643 HydrophobicContact CG-CG 4.12Å; P616-V644 HydrophobicContact CG-CG1 4.31Å |
| 617 | V | 95.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -124 | 127.9 | 162.3 | 180 | 0 | 0 | 0 | 0 | 107.6 | A615 Y619 R638 | A615-V617 PolarHBondContact O-N 3.31Å; V617-Y619 PolarHBondContact O-N 3.36Å; V617-R638 PolarHBondContact O-NH2 2.72Å |
| 618 | P | 97.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 42 Ų | 42 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | trans | -50.6 | 139.6 | -177.7 | -29.6 | 35.4 | 0 | 0 | 0 | 113 | S612 | S612-P618 VanDerWaalsContact O-CA 3.25Å; S612-P618 WeakPolarHBondContact O-CA 3.15Å | ||
| 619 | Y | 98.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | trans | -71.5 | 158.2 | 177.1 | -65.2 | -7.1 | 0 | 0 | 0 | 111.2 | V611 S612 A615 V617 M688 F694 V695 P696 | V611-Y619 HydrophobicContact CG1-CE2 4.39Å; S612-Y619 PolarHBondContact O-N 3.17Å; A615-Y619 HydrophobicContact CB-CD1 3.72Å; A615-Y619 HydrophobicContact CB-CE1 3.38Å; V617-Y619 PolarHBondContact O-N 3.36Å; Y619-M688 HydrophobicContact CD2-CE 4.17Å; Y619-M688 HydrophobicContact CE2-CE 3.85Å; Y619-F694 WeakPolarHBondContact CD2-O 3.38Å; Y619-V695 WeakPolarHBondContact CA-O 3.15Å; Y619-V695 WeakPolarHBondContact CB-O 3.5Å; Y619-P696 HydrophobicContact CD1-CB 3.91Å; Y619-P696 HydrophobicContact CE1-CB 3.61Å | ||
| 620 | V | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 30% | 0.297 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 145.4 | -175.2 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | P622 F694 V695 C697 | V620-P622 WeakPolarHBondContact O-CD 3.28Å; V620-F694 WeakPolarHBondContact O-CA 3.42Å; V620-F694 WeakPolarHBondContact O-CB 3.47Å; V620-V695 PolarHBondContact N-O 3Å; V620-V695 WeakPolarHBondContact O-CG2 3.42Å; V620-V695 PolarHBondContact O-N 2.93Å; V620-C697 WeakPolarHBondContact CG2-O 3.45Å |
| 621 | R | 98.6 | Very high | 97 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 119.8 | 172.5 | 179.2 | 174.6 | 175.6 | 154.5 | 8.7 | 110.4 | E357 N361 E364 F694 | E357-R621 IonicContact OE2-CZ 3.58Å; E357-R621 IonicContact OE2-NE 2.95Å; E357-R621 IonicContact OE2-NH2 3.09Å; E357-R621 PolarHBondContact OE2-NH2 3.13Å; N361-R621 VanDerWaalsContact OD1-CZ 3.31Å; N361-R621 PolarHBondContact OD1-NH1 2.87Å; N361-R621 PolarHBondContact OD1-NH2 3.08Å; E364-R621 WeakPolarHBondContact OE1-CD 3.28Å; E364-R621 IonicContact OE1-CZ 2.74Å; E364-R621 IonicContact OE1-NE 3.99Å; E364-R621 IonicContact OE1-NH1 3.33Å; E364-R621 PolarHBondContact OE1-NH1 3.47Å; E364-R621 IonicContact OE2-NH1 2.9Å; E364-R621 PolarHBondContact OE2-NH1 2.91Å; R621-F694 HydrophobicContact CB-CD1 4.06Å; R621-F694 HydrophobicContact CB-CE1 3.64Å; R621-F694 HydrophobicContact CB-CE2 4.24Å; R621-F694 HydrophobicContact CB-CZ 3.73Å; R621-F694 HydrophobicContact CG-CE1 4Å; R621-F694 HydrophobicContact CG-CZ 4.43Å |
| 622 | P | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 141.1 | 173.4 | 30.7 | -33.8 | 0 | 0 | 0 | 111 | L360 V620 I624 A689 V695 A700 | L360-P622 HydrophobicContact CD1-CG 4.14Å; L360-P622 HydrophobicContact CD2-CG 4.2Å; V620-P622 WeakPolarHBondContact O-CD 3.28Å; P622-I624 HydrophobicContact CB-CD1 4.22Å; P622-I624 HydrophobicContact CG-CD1 4.07Å; P622-A689 HydrophobicContact CB-CB 4.03Å; P622-A689 HydrophobicContact CG-CB 3.83Å; P622-V695 HydrophobicContact CB-CG1 4.42Å; P622-V695 HydrophobicContact CB-CG2 4.01Å; P622-V695 HydrophobicContact CG-CG1 4.16Å; P622-V695 HydrophobicContact CG-CG2 4.38Å; P622-A700 HydrophobicContact CB-CB 4.14Å |
| 623 | A | 98.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A700 E701 V702 | A623-A700 PolarHBondContact N-O 3.34Å; A623-E701 HydrophobicContact CB-CG 4.24Å; A623-V702 PolarHBondContact O-N 3.44Å |
| 624 | I | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.7 | -176 | -52.8 | -61.5 | 0 | 0 | 0 | 110.6 | K353 I356 L360 P622 A689 I704 | K353-I624 VanDerWaalsContact CE-O 3.23Å; K353-I624 WeakPolarHBondContact CE-O 3.02Å; K353-I624 HydrophobicContact CG-CG2 4.11Å; K353-I624 PolarHBondContact NZ-O 3.4Å; I356-I624 HydrophobicContact CD1-CG2 4.22Å; I356-I624 HydrophobicContact CG2-CD1 3.89Å; I356-I624 HydrophobicContact CG2-CG1 3.68Å; I356-I624 HydrophobicContact CG2-CG2 4.46Å; L360-I624 HydrophobicContact CD1-CD1 4.16Å; L360-I624 HydrophobicContact CD1-CG1 3.71Å; P622-I624 HydrophobicContact CB-CD1 4.22Å; P622-I624 HydrophobicContact CG-CD1 4.07Å; I624-A689 HydrophobicContact CD1-CB 4.08Å; I624-I704 HydrophobicContact CG2-CD1 4.06Å; I624-I704 HydrophobicContact CG2-CG1 3.94Å |
| 625 | L | 98.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149.9 | 176.6 | -61.1 | 149.5 | 0 | 0 | 0 | 109.4 | Q629 R631 E701 V702 I704 | L625-Q629 HydrophobicContact CB-CB 4.26Å; L625-Q629 HydrophobicContact CB-CG 4.35Å; L625-R631 HydrophobicContact CD1-CB 3.95Å; L625-E701 HydrophobicContact CD1-CB 3.94Å; L625-V702 PolarHBondContact N-O 3.11Å; L625-I704 WeakPolarHBondContact O-CG1 3.28Å; L625-I704 PolarHBondContact O-N 3.11Å |
| 626 | E | 98 | Very high | 97.5 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 152.5 | 178.6 | -72 | -65.9 | 171.6 | 0 | 0 | 112.5 | K353 G628 Q629 | K353-E626 HydrophobicContact CD-CG 4.17Å; K353-E626 WeakPolarHBondContact CD-OE1 3.19Å; E626-G628 PolarHBondContact O-N 3.35Å; E626-Q629 HydrophobicContact CB-CG 4.11Å; E626-Q629 WeakPolarHBondContact O-CB 3.48Å; E626-Q629 VanDerWaalsContact O-CG 3.31Å; E626-Q629 WeakPolarHBondContact O-CG 3.49Å; E626-Q629 PolarHBondContact O-N 3.23Å |
| 627 | K | 97.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.9 | 174.7 | -177.5 | -179.4 | 175.3 | 175.5 | 0 | 110 | M351 I704 D706 D742 | M351-K627 HydrophobicContact CE-CD 3.95Å; K627-I704 HydrophobicContact CB-CB 4.1Å; K627-I704 HydrophobicContact CB-CG2 4.14Å; K627-D706 HydrophobicContact CD-CB 4.4Å; K627-D706 IonicContact NZ-OD2 2.88Å; K627-D706 PolarHBondContact NZ-OD2 2.91Å; K627-D742 HydrophobicContact CD-CB 4.35Å; K627-D742 WeakPolarHBondContact CE-OD2 3.46Å; K627-D742 HydrophobicContact CG-CB 3.96Å; K627-D742 IonicContact NZ-OD2 2.86Å |
| 628 | G | 95.1 | Very high | 97.8 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | E626 G630 D742 | E626-G628 PolarHBondContact O-N 3.35Å; G628-G630 PolarHBondContact O-N 3.46Å; G628-D742 WeakPolarHBondContact CA-OD1 3.41Å |
| 629 | Q | 96.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 35.9 Ų | 35.9 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -63.7 | -26.1 | 167 | -71.5 | -68.9 | -13 | 0 | 0 | 112.4 | L625 E626 | L625-Q629 HydrophobicContact CB-CB 4.26Å; L625-Q629 HydrophobicContact CB-CG 4.35Å; E626-Q629 HydrophobicContact CB-CG 4.11Å; E626-Q629 WeakPolarHBondContact O-CB 3.48Å; E626-Q629 VanDerWaalsContact O-CG 3.31Å; E626-Q629 WeakPolarHBondContact O-CG 3.49Å; E626-Q629 PolarHBondContact O-N 3.23Å |
| 630 | G | 95.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | trans | 72.2 | 32.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G628 E658 K659 S703 F777 | G628-G630 PolarHBondContact O-N 3.46Å; G630-E658 CarbonylContact O-C 3.57Å; G630-E658 WeakPolarHBondContact O-CA 3.44Å; G630-K659 PolarHBondContact O-N 2.97Å; G630-S703 PolarHBondContact N-OG 3.08Å; G630-F777 VanDerWaalsContact CA-CZ 3.49Å | ||
| 631 | R | 98 | Very high | 97.2 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.3 | 179.8 | -65.6 | -178.9 | 70.9 | -133.8 | -8.6 | 111.7 | L625 F657 E658 E701 S703 | L625-R631 HydrophobicContact CD1-CB 3.95Å; R631-F657 WeakPolarHBondContact CA-O 3.25Å; R631-E658 HydrophobicContact CG-CG 4.29Å; R631-E701 IonicContact CZ-OE2 3.36Å; R631-E701 IonicContact NH1-OE2 2.83Å; R631-E701 PolarHBondContact NH1-OE2 3.32Å; R631-E701 IonicContact NH2-OE1 2.8Å; R631-E701 IonicContact NH2-OE2 3.79Å; R631-E701 PolarHBondContact NH2-OE2 2.88Å; R631-S703 PolarHBondContact N-OG 2.85Å; R631-S703 WeakPolarHBondContact O-CB 3.39Å; R631-S703 PolarHBondContact O-N 3.18Å; R631-S703 PolarHBondContact O-OG 3.39Å |
| 632 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 108.9 | 169.2 | -58.2 | 172 | 0 | 0 | 0 | 107.2 | L634 Y656 F657 V686 E701 V705 F777 | I632-L634 HydrophobicContact CG2-CD1 4.31Å; I632-L634 HydrophobicContact CG2-CD2 4.22Å; I632-L634 HydrophobicContact CG2-CG 4.09Å; I632-Y656 CarbonylContact O-C 3.55Å; I632-F657 HydrophobicContact CB-CB 4.02Å; I632-F657 HydrophobicContact CB-CD2 4.04Å; I632-F657 HydrophobicContact CB-CG 4.48Å; I632-F657 HydrophobicContact CG2-CD2 4.45Å; I632-F657 PolarHBondContact N-O 3.38Å; I632-F657 PolarHBondContact O-N 3.18Å; I632-V686 HydrophobicContact CD1-CG2 4.13Å; I632-V686 HydrophobicContact CG2-CG2 4.31Å; I632-E701 CarbonylContact C-O 3.46Å; I632-E701 VanDerWaalsContact CA-O 3.29Å; I632-E701 WeakPolarHBondContact CA-O 3.38Å; I632-V705 HydrophobicContact CD1-CG2 4.12Å; I632-F777 HydrophobicContact CD1-CD1 4.12Å; I632-F777 HydrophobicContact CD1-CD2 3.83Å; I632-F777 HydrophobicContact CD1-CE1 4.11Å; I632-F777 HydrophobicContact CD1-CE2 3.83Å; I632-F777 HydrophobicContact CD1-CG 3.95Å; I632-F777 HydrophobicContact CD1-CZ 3.93Å; I632-F777 HydrophobicContact CG1-CE1 4.1Å; I632-F777 HydrophobicContact CG1-CE2 4.3Å; I632-F777 HydrophobicContact CG1-CZ 3.94Å |
| 633 | I | 98.7 | Very high | 96.4 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 9% | 0.087 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.5 | -177.1 | -54.7 | 175.2 | 0 | 0 | 0 | 107.9 | I655 Y656 A700 E701 | I633-I655 WeakPolarHBondContact CA-O 3.34Å; I633-Y656 HydrophobicContact CD1-CD2 4.34Å; I633-Y656 HydrophobicContact CD1-CE2 3.89Å; I633-Y656 HydrophobicContact CG1-CD2 4.06Å; I633-Y656 HydrophobicContact CG1-CE2 4.1Å; I633-Y656 HydrophobicContact CG2-CD2 4.2Å; I633-A700 CarbonylContact O-C 3.47Å; I633-A700 WeakPolarHBondContact O-CA 3.48Å; I633-E701 HydrophobicContact CB-CB 4.3Å; I633-E701 PolarHBondContact N-O 2.91Å; I633-E701 PolarHBondContact O-N 3.47Å |
| 634 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.4 | -179 | -45.9 | 176.8 | 0 | 0 | 0 | 108.3 | I632 D654 I655 I685 A700 V702 | I632-L634 HydrophobicContact CG2-CD1 4.31Å; I632-L634 HydrophobicContact CG2-CD2 4.22Å; I632-L634 HydrophobicContact CG2-CG 4.09Å; L634-D654 CarbonylContact O-C 3.36Å; L634-D654 WeakPolarHBondContact O-CA 3.39Å; L634-I655 HydrophobicContact CB-CB 4.1Å; L634-I655 HydrophobicContact CB-CD1 4.39Å; L634-I655 HydrophobicContact CD1-CB 4.25Å; L634-I655 HydrophobicContact CD1-CD1 3.72Å; L634-I655 HydrophobicContact CD1-CG2 4.49Å; L634-I655 HydrophobicContact CG-CB 4.29Å; L634-I655 PolarHBondContact N-O 3.13Å; L634-I655 PolarHBondContact O-N 2.61Å; L634-I685 HydrophobicContact CD1-CB 4.06Å; L634-I685 HydrophobicContact CD1-CD1 3.94Å; L634-I685 HydrophobicContact CD1-CG2 3.71Å; L634-I685 HydrophobicContact CD2-CG2 3.83Å; L634-I685 HydrophobicContact CG-CG2 4.43Å; L634-A700 HydrophobicContact CD2-CB 3.68Å; L634-V702 HydrophobicContact CD2-CG2 4.05Å |
| 635 | K | 98.5 | Very high | 95 | Very high | 81 Ų | 81 | 35 Ų | 35 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.4 | 178.5 | -66.1 | -62.4 | -176.3 | 173.6 | 0 | 111 | S637 D654 E698 S699 | K635-S637 PolarHBondContact O-N 2.67Å; K635-D654 WeakPolarHBondContact CA-OD1 3.39Å; K635-D654 VanDerWaalsContact CD-OD2 3.25Å; K635-D654 WeakPolarHBondContact CD-OD2 3.27Å; K635-D654 IonicContact NZ-OD2 3.59Å; K635-D654 PolarHBondContact NZ-OD2 2.99Å; K635-E698 HydrophobicContact CB-CB 4.44Å; K635-E698 PolarHBondContact O-N 2.86Å; K635-S699 WeakPolarHBondContact CB-OG 3.49Å; K635-S699 VanDerWaalsContact CG-OG 3.28Å; K635-S699 WeakPolarHBondContact CG-OG 3.33Å; K635-S699 PolarHBondContact N-O 2.82Å |
| 636 | A | 97.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.5 | 48.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R638 P652 D654 E698 | A636-R638 WeakPolarHBondContact O-CD 3.47Å; A636-P652 HydrophobicContact CB-CB 3.89Å; A636-P652 HydrophobicContact CB-CG 4.44Å; A636-P652 WeakPolarHBondContact O-CB 3.45Å; A636-D654 PolarHBondContact N-OD1 3.28Å; A636-E698 HydrophobicContact CB-CB 3.99Å |
| 637 | S | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 144.6 | -174.5 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | K635 P652 N653 I655 Q681 P696 | K635-S637 PolarHBondContact O-N 2.67Å; S637-P652 WeakPolarHBondContact O-CA 3.45Å; S637-N653 WeakPolarHBondContact CB-O 3.28Å; S637-N653 PolarHBondContact N-O 3.05Å; S637-N653 PolarHBondContact O-N 3.41Å; S637-N653 PolarHBondContact OG-O 3.32Å; S637-I655 WeakPolarHBondContact OG-CD1 3.43Å; S637-Q681 PolarHBondContact O-NE2 3.47Å; S637-Q681 PolarHBondContact OG-NE2 3.44Å; S637-P696 WeakPolarHBondContact CA-O 3.46Å |
| 638 | R | 96.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.06 | 23% | 0.232 | C | C | . | . | trans | -124.6 | 160.8 | 177.1 | -48.7 | 89.6 | 54.1 | 177.3 | -3.3 | 112.4 | V617 A636 A640 E643 F650 P652 P696 | V617-R638 PolarHBondContact O-NH2 2.72Å; A636-R638 WeakPolarHBondContact O-CD 3.47Å; R638-A640 PolarHBondContact O-N 2.89Å; R638-E643 HydrophobicContact CB-CB 4.47Å; R638-E643 HydrophobicContact CB-CG 4.41Å; R638-E643 WeakPolarHBondContact CB-OE2 3.42Å; R638-E643 IonicContact CZ-OE1 3.39Å; R638-E643 IonicContact CZ-OE2 3.95Å; R638-E643 IonicContact NE-OE1 3.17Å; R638-E643 PolarHBondContact NE-OE1 3.24Å; R638-E643 IonicContact NE-OE2 3.58Å; R638-E643 PolarHBondContact NE-OE2 3.25Å; R638-E643 IonicContact NH2-OE1 3.43Å; R638-E643 IonicContact NH2-OE2 3.38Å; R638-E643 PolarHBondContact NH2-OE2 3.05Å; R638-F650 HydrophobicContact CB-CD1 3.63Å; R638-F650 HydrophobicContact CB-CE1 3.74Å; R638-F650 HydrophobicContact CB-CG 4.43Å; R638-F650 HydrophobicContact CG-CD1 3.79Å; R638-F650 HydrophobicContact CG-CE1 4.22Å; R638-P652 HydrophobicContact CG-CB 4.2Å; R638-P696 HydrophobicContact CB-CB 4.44Å; R638-P696 VanDerWaalsContact CZ-C 3.41Å; R638-P696 PolarHBondContact N-O 2.97Å; R638-P696 PolarHBondContact NE-O 3.21Å; R638-P696 VanDerWaalsContact O-CG 3.23Å; R638-P696 WeakPolarHBondContact O-CG 3.48Å | ||
| 639 | H | 95.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | trans | -83.7 | 109.9 | 172.9 | -168.6 | -59.2 | 0 | 0 | 0 | 111 | C641 V642 E643 F650 T677 Q681 | H639-C641 VanDerWaalsContact C-N 3.3Å; H639-C641 PolarHBondContact ND1-N 2.89Å; H639-C641 PolarHBondContact O-N 3.37Å; H639-V642 HydrophobicContact CB-CB 4.11Å; H639-V642 HydrophobicContact CB-CG2 4.27Å; H639-V642 PolarHBondContact ND1-N 3.4Å; H639-V642 PolarHBondContact O-N 3.48Å; H639-E643 WeakPolarHBondContact O-CB 3.43Å; H639-E643 PolarHBondContact O-N 2.93Å; H639-F650 HydrophobicContact CB-CE2 3.67Å; H639-F650 HydrophobicContact CB-CZ 3.69Å; H639-T677 HydrophobicContact CB-CG2 4.21Å; H639-Q681 HydrophobicContact CB-CB 3.7Å | ||
| 640 | A | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -46.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L326 L329 R638 V684 M688 P696 | L326-A640 HydrophobicContact CD1-CB 4.4Å; L329-A640 HydrophobicContact CD2-CB 3.68Å; L329-A640 WeakPolarHBondContact CD2-O 3.47Å; R638-A640 PolarHBondContact O-N 2.89Å; A640-V684 HydrophobicContact CB-CG1 4.24Å; A640-M688 HydrophobicContact CB-SD 3.97Å; A640-P696 HydrophobicContact CB-CG 4.2Å |
| 641 | C | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -24.7 | -178.4 | -51.6 | 0 | 0 | 0 | 0 | 115.5 | Q324 H639 V644 | Q324-C641 WeakPolarHBondContact O-CB 3.41Å; H639-C641 VanDerWaalsContact C-N 3.3Å; H639-C641 PolarHBondContact ND1-N 2.89Å; H639-C641 PolarHBondContact O-N 3.37Å; C641-V644 WeakPolarHBondContact O-CG2 3.31Å |
| 642 | V | 90.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -30.6 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | H639 V644 Q645 F650 | H639-V642 HydrophobicContact CB-CB 4.11Å; H639-V642 HydrophobicContact CB-CG2 4.27Å; H639-V642 PolarHBondContact ND1-N 3.4Å; H639-V642 PolarHBondContact O-N 3.48Å; V642-V644 PolarHBondContact O-N 3.46Å; V642-Q645 PolarHBondContact O-N 3.14Å; V642-F650 HydrophobicContact CB-CD2 4.18Å; V642-F650 HydrophobicContact CB-CE2 4.05Å; V642-F650 HydrophobicContact CG1-CD2 3.94Å; V642-F650 HydrophobicContact CG1-CE2 4.01Å |
| 643 | E | 90.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29 | 176.5 | -170.1 | -176.6 | -179.9 | 0 | 0 | 112.9 | P616 R638 H639 F650 | P616-E643 HydrophobicContact CB-CG 4.45Å; P616-E643 HydrophobicContact CG-CG 4.12Å; R638-E643 HydrophobicContact CB-CB 4.47Å; R638-E643 HydrophobicContact CB-CG 4.41Å; R638-E643 WeakPolarHBondContact CB-OE2 3.42Å; R638-E643 IonicContact CZ-OE1 3.39Å; R638-E643 IonicContact CZ-OE2 3.95Å; R638-E643 IonicContact NE-OE1 3.17Å; R638-E643 PolarHBondContact NE-OE1 3.24Å; R638-E643 IonicContact NE-OE2 3.58Å; R638-E643 PolarHBondContact NE-OE2 3.25Å; R638-E643 IonicContact NH2-OE1 3.43Å; R638-E643 IonicContact NH2-OE2 3.38Å; R638-E643 PolarHBondContact NH2-OE2 3.05Å; H639-E643 WeakPolarHBondContact O-CB 3.43Å; H639-E643 PolarHBondContact O-N 2.93Å; E643-F650 HydrophobicContact CB-CB 4.34Å; E643-F650 HydrophobicContact CB-CG 4.46Å; E643-F650 HydrophobicContact CG-CB 4.23Å |
| 644 | V | 85.9 | Confident | 91.6 | Very high | 50 Ų | 50 | 53 Ų | 53 | 30% | 0.303 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.3 | -178.1 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | L329 P616 C641 V642 | L329-V644 HydrophobicContact CD1-CG1 4.28Å; L329-V644 HydrophobicContact CD1-CG2 4.08Å; P616-V644 HydrophobicContact CG-CG1 4.31Å; C641-V644 WeakPolarHBondContact O-CG2 3.31Å; V642-V644 PolarHBondContact O-N 3.46Å |
| 645 | Q | 81.8 | Confident | 91.6 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -73.7 | 137.4 | 178.7 | -70.7 | -177.5 | 10 | 0 | 0 | 111 | S323 V642 I648 | S323-Q645 VanDerWaalsContact CB-NE2 3.34Å; S323-Q645 PolarHBondContact OG-NE2 3.29Å; V642-Q645 PolarHBondContact O-N 3.14Å; Q645-I648 HydrophobicContact CB-CB 4.43Å; Q645-I648 HydrophobicContact CB-CD1 3.9Å; Q645-I648 HydrophobicContact CB-CG1 4.3Å; Q645-I648 PolarHBondContact O-N 2.95Å |
| 646 | D | 73.7 | Confident | 91.6 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 142.4 | 175.7 | -64.2 | -38.4 | 0 | 0 | 0 | 110.5 | I648 | D646-I648 PolarHBondContact O-N 3.25Š|
| 647 | E | 80.2 | Confident | 91.6 | Very high | 205 Ų | 205 | 51.6 Ų | 51.6 | 96% | 0.958 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 7.9 | 177 | -51.5 | -178 | 170 | 0 | 0 | 116.3 | ||
| 648 | I | 83.3 | Confident | 91.6 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 41% | 0.405 | 28% | 0.276 | S | S | . | . | trans | -109.7 | 128.1 | 177.3 | -58.7 | -175.6 | 0 | 0 | 0 | 110.9 | Q645 D646 | Q645-I648 HydrophobicContact CB-CB 4.43Å; Q645-I648 HydrophobicContact CB-CD1 3.9Å; Q645-I648 HydrophobicContact CB-CG1 4.3Å; Q645-I648 PolarHBondContact O-N 2.95Å; D646-I648 PolarHBondContact O-N 3.25Å | ||
| 649 | T | 86.9 | Confident | 91.5 | Very high | 131 Ų | 131 | 57.6 Ų | 57.6 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 119 | 167 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 650 | F | 93.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 63 Ų | 63 | 18% | 0.18 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -91 | 133 | -179.3 | -160 | -81.8 | 0 | 0 | 0 | 111.8 | R638 H639 V642 E643 T677 Q681 | R638-F650 HydrophobicContact CB-CD1 3.63Å; R638-F650 HydrophobicContact CB-CE1 3.74Å; R638-F650 HydrophobicContact CB-CG 4.43Å; R638-F650 HydrophobicContact CG-CD1 3.79Å; R638-F650 HydrophobicContact CG-CE1 4.22Å; H639-F650 HydrophobicContact CB-CE2 3.67Å; H639-F650 HydrophobicContact CB-CZ 3.69Å; V642-F650 HydrophobicContact CB-CD2 4.18Å; V642-F650 HydrophobicContact CB-CE2 4.05Å; V642-F650 HydrophobicContact CG1-CD2 3.94Å; V642-F650 HydrophobicContact CG1-CE2 4.01Å; E643-F650 HydrophobicContact CB-CB 4.34Å; E643-F650 HydrophobicContact CB-CG 4.46Å; E643-F650 HydrophobicContact CG-CB 4.23Å; F650-T677 HydrophobicContact CE2-CG2 3.94Å; F650-T677 HydrophobicContact CZ-CG2 4.12Å; F650-Q681 VanDerWaalsContact CZ-OE1 3.23Å |
| 651 | I | 94.5 | Very high | 91.4 | Very high | 55 Ų | 55 | 68.5 Ų | 68.5 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 120.5 | 178 | -62.2 | -179.9 | 0 | 0 | 0 | 109.6 | N653 L814 Y815 Q816 | I651-N653 PolarHBondContact O-ND2 2.92Å; I651-N653 VanDerWaalsContact O-ND2 3.12Å; I651-L814 WeakPolarHBondContact CD1-O 3.4Å; I651-Y815 HydrophobicContact CD1-CD2 4.37Å; I651-Q816 HydrophobicContact CG2-CG 4.05Å |
| 652 | P | 97 | Very high | 91.7 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 146.6 | -178.7 | 28.7 | -34.2 | 0 | 0 | 0 | 111.9 | A636 S637 R638 | A636-P652 HydrophobicContact CB-CB 3.89Å; A636-P652 HydrophobicContact CB-CG 4.44Å; A636-P652 WeakPolarHBondContact O-CB 3.45Å; S637-P652 WeakPolarHBondContact O-CA 3.45Å; R638-P652 HydrophobicContact CG-CB 4.2Å |
| 653 | N | 97.6 | Very high | 92 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.5 | 179.8 | -75.4 | -80.6 | 0 | 0 | 0 | 112.2 | S637 I651 Y678 Y815 V817 | S637-N653 WeakPolarHBondContact CB-O 3.28Å; S637-N653 PolarHBondContact N-O 3.05Å; S637-N653 PolarHBondContact O-N 3.41Å; S637-N653 PolarHBondContact OG-O 3.32Å; I651-N653 PolarHBondContact O-ND2 2.92Å; I651-N653 VanDerWaalsContact O-ND2 3.12Å; N653-Y678 HydrophobicContact CB-CD2 3.92Å; N653-Y678 HydrophobicContact CB-CE2 3.73Å; N653-Y815 PolarHBondContact ND2-O 2.66Å; N653-Y815 PolarHBondContact OD1-O 3.5Å; N653-V817 HydrophobicContact CB-CG2 4.42Å; N653-V817 PolarHBondContact OD1-N 3.31Å |
| 654 | D | 98.3 | Very high | 92.4 | Very high | 78 Ų | 78 | 68.3 Ų | 68.3 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 145.8 | 175.2 | -83.7 | 14.1 | 0 | 0 | 0 | 111.3 | L634 K635 A636 Y678 | L634-D654 CarbonylContact O-C 3.36Å; L634-D654 WeakPolarHBondContact O-CA 3.39Å; K635-D654 WeakPolarHBondContact CA-OD1 3.39Å; K635-D654 VanDerWaalsContact CD-OD2 3.25Å; K635-D654 WeakPolarHBondContact CD-OD2 3.27Å; K635-D654 IonicContact NZ-OD2 3.59Å; K635-D654 PolarHBondContact NZ-OD2 2.99Å; A636-D654 PolarHBondContact N-OD1 3.28Å; D654-Y678 PolarHBondContact O-OH 3.32Å |
| 655 | I | 98.4 | Very high | 93 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.5 | 171.7 | -64.7 | 151.3 | 0 | 0 | 0 | 108.4 | I633 L634 S637 F657 Y678 Q681 T682 | I633-I655 WeakPolarHBondContact CA-O 3.34Å; L634-I655 HydrophobicContact CB-CB 4.1Å; L634-I655 HydrophobicContact CB-CD1 4.39Å; L634-I655 HydrophobicContact CD1-CB 4.25Å; L634-I655 HydrophobicContact CD1-CD1 3.72Å; L634-I655 HydrophobicContact CD1-CG2 4.49Å; L634-I655 HydrophobicContact CG-CB 4.29Å; L634-I655 PolarHBondContact N-O 3.13Å; L634-I655 PolarHBondContact O-N 2.61Å; S637-I655 WeakPolarHBondContact OG-CD1 3.43Å; I655-F657 HydrophobicContact CG2-CD2 4Å; I655-F657 HydrophobicContact CG2-CE2 4.02Å; I655-Y678 HydrophobicContact CD1-CE2 4.14Å; I655-Y678 HydrophobicContact CG1-CD2 4.48Å; I655-Y678 HydrophobicContact CG1-CE2 3.52Å; I655-Y678 WeakPolarHBondContact CG1-OH 3.46Å; I655-Q681 HydrophobicContact CD1-CG 4.49Å; I655-T682 HydrophobicContact CD1-CG2 4.14Å; I655-T682 WeakPolarHBondContact CD1-OG1 3.3Å; I655-T682 HydrophobicContact CG2-CG2 4.06Å |
| 656 | Y | 98.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 114.6 | -176.6 | -167.5 | -92.5 | 0 | 0 | 0 | 111.3 | I632 I633 E658 Q662 H665 | I632-Y656 CarbonylContact O-C 3.55Å; I633-Y656 HydrophobicContact CD1-CD2 4.34Å; I633-Y656 HydrophobicContact CD1-CE2 3.89Å; I633-Y656 HydrophobicContact CG1-CD2 4.06Å; I633-Y656 HydrophobicContact CG1-CE2 4.1Å; I633-Y656 HydrophobicContact CG2-CD2 4.2Å; Y656-E658 HydrophobicContact CD1-CB 4.39Å; Y656-E658 HydrophobicContact CE1-CB 3.57Å; Y656-E658 PolarHBondContact OH-OE2 3.47Å; Y656-Q662 HydrophobicContact CD1-CB 4.22Å; Y656-Q662 HydrophobicContact CD1-CG 4.39Å; Y656-Q662 VanDerWaalsContact CD1-OE1 3.3Å; Y656-H665 PolarHBondContact O-CE1 3.16Å; Y656-H665 VanDerWaalsContact O-CE1 3.24Å; Y656-H665 PolarHBondContact O-NE2 2.58Å |
| 657 | F | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.8 | 165.7 | -72.9 | -77.4 | 0 | 0 | 0 | 109.4 | R631 I632 I655 Q662 M663 H665 T682 F777 M779 | R631-F657 WeakPolarHBondContact CA-O 3.25Å; I632-F657 HydrophobicContact CB-CB 4.02Å; I632-F657 HydrophobicContact CB-CD2 4.04Å; I632-F657 HydrophobicContact CB-CG 4.48Å; I632-F657 HydrophobicContact CG2-CD2 4.45Å; I632-F657 PolarHBondContact N-O 3.38Å; I632-F657 PolarHBondContact O-N 3.18Å; I655-F657 HydrophobicContact CG2-CD2 4Å; I655-F657 HydrophobicContact CG2-CE2 4.02Å; F657-Q662 VanDerWaalsContact CA-O 3.3Å; F657-Q662 WeakPolarHBondContact CA-O 3.42Å; F657-M663 VanDerWaalsContact CE1-O 3.32Å; F657-M663 WeakPolarHBondContact CE1-O 3.46Å; F657-H665 AromaticContact CD1-CD2 3.93Å; F657-H665 AromaticContact CD1-NE2 3.69Å; F657-H665 AromaticContact CE1-CD2 3.31Å; F657-H665 WeakPolarHBondContact CE1-CD2 3.41Å; F657-H665 AromaticContact CE1-NE2 3.57Å; F657-H665 AromaticContact CZ-CD2 3.42Å; F657-H665 VanDerWaalsContact CZ-CD2 3.42Å; F657-H665 WeakPolarHBondContact CZ-CD2 3.41Å; F657-H665 AromaticContact CZ-NE2 3.95Å; F657-T682 HydrophobicContact CE2-CG2 4.4Å; F657-F777 HydrophobicContact CB-CD1 3.58Å; F657-F777 HydrophobicContact CB-CE1 3.73Å; F657-F777 HydrophobicContact CD1-CB 4.21Å; F657-F777 AromaticContact CD1-CD1 3.72Å; F657-F777 HydrophobicContact CD1-CD1 3.72Å; F657-F777 HydrophobicContact CD1-CG 4.45Å; F657-F777 HydrophobicContact CD2-CD1 4.35Å; F657-F777 HydrophobicContact CE1-CB 4.07Å; F657-F777 HydrophobicContact CE1-CD1 4.42Å; F657-F777 AromaticContact CG-CD1 3.64Å; F657-F777 HydrophobicContact CG-CD1 3.64Å; F657-F777 HydrophobicContact CG-CE1 4.3Å; F657-F777 HydrophobicContact CG-CG 4.46Å; F657-F777 HydrophobicContact CZ-CB 4.24Å; F657-M779 HydrophobicContact CE2-CG 4.18Å; F657-M779 HydrophobicContact CE2-SD 4.34Å; F657-M779 HydrophobicContact CZ-CG 3.62Å; F657-M779 HydrophobicContact CZ-SD 4.37Å |
| 658 | E | 97.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 127 | 175 | -168.5 | 179.9 | -158.3 | 0 | 0 | 109.3 | G630 R631 Y656 D660 K661 Q662 | G630-E658 CarbonylContact O-C 3.57Å; G630-E658 WeakPolarHBondContact O-CA 3.44Å; R631-E658 HydrophobicContact CG-CG 4.29Å; Y656-E658 HydrophobicContact CD1-CB 4.39Å; Y656-E658 HydrophobicContact CE1-CB 3.57Å; Y656-E658 PolarHBondContact OH-OE2 3.47Å; E658-D660 PolarHBondContact O-N 2.95Å; E658-K661 HydrophobicContact CB-CB 4.42Å; E658-K661 PolarHBondContact O-N 3.11Å; E658-K661 IonicContact OE1-NZ 3.09Å; E658-K661 PolarHBondContact OE1-NZ 3.39Å; E658-K661 VanDerWaalsContact OE1-NZ 3.09Å; E658-K661 WeakPolarHBondContact OE2-CD 3.44Å; E658-K661 VanDerWaalsContact OE2-CE 3.26Å; E658-K661 WeakPolarHBondContact OE2-CE 3.34Å; E658-K661 IonicContact OE2-NZ 2.72Å; E658-K661 PolarHBondContact OE2-NZ 3.26Å; E658-Q662 PolarHBondContact N-O 3.32Å; E658-Q662 CarbonylContact O-C 3.59Å; E658-Q662 PolarHBondContact O-N 3.41Å |
| 659 | K | 95.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 44 Ų | 44 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 138.6 | 177.9 | -163.2 | -178.4 | 171 | -176.2 | 0 | 110.9 | G630 K661 | G630-K659 PolarHBondContact O-N 2.97Å; K659-K661 PolarHBondContact O-N 2.65Å |
| 660 | D | 92.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 38.3 Ų | 38.3 | 67% | 0.674 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 4.1 | 180 | -48.4 | -44.6 | 0 | 0 | 0 | 115 | E658 | E658-D660 PolarHBondContact O-N 2.95Š|
| 661 | K | 95.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 50% | 0.504 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -60.5 | 173.8 | -58.7 | -163.1 | -155.8 | 146.3 | 0 | 113.5 | E658 K659 T796 | E658-K661 HydrophobicContact CB-CB 4.42Å; E658-K661 PolarHBondContact O-N 3.11Å; E658-K661 IonicContact OE1-NZ 3.09Å; E658-K661 PolarHBondContact OE1-NZ 3.39Å; E658-K661 VanDerWaalsContact OE1-NZ 3.09Å; E658-K661 WeakPolarHBondContact OE2-CD 3.44Å; E658-K661 VanDerWaalsContact OE2-CE 3.26Å; E658-K661 WeakPolarHBondContact OE2-CE 3.34Å; E658-K661 IonicContact OE2-NZ 2.72Å; E658-K661 PolarHBondContact OE2-NZ 3.26Å; K659-K661 PolarHBondContact O-N 2.65Å; K661-T796 WeakPolarHBondContact O-CA 3.46Å |
| 662 | Q | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 16% | 0.159 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 97.9 | -174.9 | -62.1 | -169.9 | -6.2 | 0 | 0 | 108.6 | Y656 F657 E658 N798 | Y656-Q662 HydrophobicContact CD1-CB 4.22Å; Y656-Q662 HydrophobicContact CD1-CG 4.39Å; Y656-Q662 VanDerWaalsContact CD1-OE1 3.3Å; F657-Q662 VanDerWaalsContact CA-O 3.3Å; F657-Q662 WeakPolarHBondContact CA-O 3.42Å; E658-Q662 PolarHBondContact N-O 3.32Å; E658-Q662 CarbonylContact O-C 3.59Å; E658-Q662 PolarHBondContact O-N 3.41Å; Q662-N798 HydrophobicContact CG-CB 4.34Å |
| 663 | M | 97.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | trans | -118.1 | -19.2 | -179 | -67.4 | -63.2 | -68.6 | 0 | 0 | 112.4 | F657 G775 F777 C778 T796 | F657-M663 VanDerWaalsContact CE1-O 3.32Å; F657-M663 WeakPolarHBondContact CE1-O 3.46Å; M663-G775 WeakPolarHBondContact CE-O 3.43Å; M663-F777 HydrophobicContact CE-CD1 3.48Å; M663-F777 VanDerWaalsContact CE-CD1 3.48Å; M663-F777 HydrophobicContact CE-CE1 3.65Å; M663-F777 HydrophobicContact CE-CG 4.09Å; M663-F777 HydrophobicContact CE-CZ 4.36Å; M663-F777 CarbonylContact O-C 3.6Å; M663-F777 WeakPolarHBondContact O-CA 2.9Å; M663-F777 HydrophobicContact SD-CD1 3.85Å; M663-F777 HydrophobicContact SD-CE1 3.86Å; M663-C778 PolarHBondContact O-N 3.11Å; M663-T796 PolarHBondContact N-O 2.85Å | ||
| 664 | F | 98.4 | Very high | 93 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.6 | -177.9 | -167.9 | -71.9 | 0 | 0 | 0 | 110.4 | I666 S767 I770 A771 C778 F780 T796 V797 N798 | F664-I666 HydrophobicContact CD1-CG1 4.01Å; F664-I666 HydrophobicContact CE1-CD1 4.5Å; F664-I666 HydrophobicContact CE1-CG1 3.72Å; F664-S767 VanDerWaalsContact CZ-CB 3.45Å; F664-S767 WeakPolarHBondContact CZ-OG 3.29Å; F664-I770 HydrophobicContact CD2-CB 4.39Å; F664-I770 HydrophobicContact CD2-CG2 3.93Å; F664-I770 HydrophobicContact CE2-CB 3.97Å; F664-I770 HydrophobicContact CE2-CG2 3.83Å; F664-A771 HydrophobicContact CB-CB 4.25Å; F664-A771 HydrophobicContact CD2-CB 3.99Å; F664-A771 HydrophobicContact CG-CB 4.26Å; F664-C778 WeakPolarHBondContact CA-O 3.25Å; F664-C778 HydrophobicContact CD2-CB 3.44Å; F664-C778 VanDerWaalsContact CD2-CB 3.44Å; F664-C778 HydrophobicContact CE2-CB 3.75Å; F664-C778 WeakPolarHBondContact CE2-SG 3.37Å; F664-C778 HydrophobicContact CG-CB 4.12Å; F664-F780 HydrophobicContact CE1-CB 4.05Å; F664-F780 HydrophobicContact CE1-CD2 4.44Å; F664-F780 HydrophobicContact CZ-CB 4.05Å; F664-F780 HydrophobicContact CZ-CD2 4.03Å; F664-T796 PolarHBondContact N-O 2.88Å; F664-T796 VanDerWaalsContact N-O 3.12Å; F664-V797 HydrophobicContact CB-CB 4.48Å; F664-V797 HydrophobicContact CB-CG2 3.9Å; F664-V797 HydrophobicContact CD1-CG1 4.08Å; F664-V797 HydrophobicContact CD1-CG2 4.19Å; F664-V797 HydrophobicContact CG-CG2 4.14Å; F664-V797 CarbonylContact O-C 3.53Å; F664-V797 WeakPolarHBondContact O-CA 3.49Å; F664-N798 PolarHBondContact O-N 2.93Å |
| 665 | H | 98.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.8 | -179.8 | -64.8 | -57.9 | 0 | 0 | 0 | 111.4 | Y656 F657 I667 C778 F780 N798 L800 | Y656-H665 PolarHBondContact O-CE1 3.16Å; Y656-H665 VanDerWaalsContact O-CE1 3.24Å; Y656-H665 PolarHBondContact O-NE2 2.58Å; F657-H665 AromaticContact CD1-CD2 3.93Å; F657-H665 AromaticContact CD1-NE2 3.69Å; F657-H665 AromaticContact CE1-CD2 3.31Å; F657-H665 WeakPolarHBondContact CE1-CD2 3.41Å; F657-H665 AromaticContact CE1-NE2 3.57Å; F657-H665 AromaticContact CZ-CD2 3.42Å; F657-H665 VanDerWaalsContact CZ-CD2 3.42Å; F657-H665 WeakPolarHBondContact CZ-CD2 3.41Å; F657-H665 AromaticContact CZ-NE2 3.95Å; H665-I667 HydrophobicContact CB-CD1 4.43Å; H665-I667 HydrophobicContact CB-CG1 4.28Å; H665-C778 PolarHBondContact N-O 2.97Å; H665-F780 PolarHBondContact O-N 3.05Å; H665-N798 CarbonylContact C-O 3.56Å; H665-N798 WeakPolarHBondContact CA-O 3.2Å; H665-L800 HydrophobicContact CB-CD1 4.06Å |
| 666 | I | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.4 | 167.6 | -61.3 | 167.7 | 0 | 0 | 0 | 107.3 | F664 T668 T782 L787 T788 L790 V797 N798 N799 L800 | F664-I666 HydrophobicContact CD1-CG1 4.01Å; F664-I666 HydrophobicContact CE1-CD1 4.5Å; F664-I666 HydrophobicContact CE1-CG1 3.72Å; I666-T668 HydrophobicContact CG2-CG2 4.28Å; I666-T782 HydrophobicContact CG2-CG2 3.85Å; I666-L787 HydrophobicContact CD1-CG 4.1Å; I666-L787 VanDerWaalsContact CD1-O 3.29Å; I666-L787 WeakPolarHBondContact CD1-O 3.45Å; I666-L787 HydrophobicContact CG2-CD2 4.49Å; I666-T788 HydrophobicContact CG2-CG2 4.14Å; I666-L790 HydrophobicContact CD1-CB 4.09Å; I666-L790 HydrophobicContact CD1-CD2 4.42Å; I666-V797 HydrophobicContact CD1-CG1 3.56Å; I666-V797 HydrophobicContact CG1-CG1 4.08Å; I666-N798 PolarHBondContact N-O 3.21Å; I666-N799 WeakPolarHBondContact CB-OD1 3.48Å; I666-L800 PolarHBondContact O-N 3.43Å; I666-L800 VanDerWaalsContact O-O 3.1Å |
| 667 | I | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.9 | -173.9 | -58.3 | 155.1 | 0 | 0 | 0 | 109.1 | H665 K675 Y678 I679 M779 F780 A781 T782 L800 | H665-I667 HydrophobicContact CB-CD1 4.43Å; H665-I667 HydrophobicContact CB-CG1 4.28Å; I667-K675 HydrophobicContact CG2-CB 4.36Å; I667-K675 HydrophobicContact CG2-CD 4.43Å; I667-K675 HydrophobicContact CG2-CG 4.17Å; I667-Y678 HydrophobicContact CD1-CD1 3.95Å; I667-Y678 HydrophobicContact CD1-CE1 4.07Å; I667-I679 HydrophobicContact CD1-CG2 3.44Å; I667-I679 VanDerWaalsContact CD1-CG2 3.44Å; I667-M779 HydrophobicContact CD1-CB 4Å; I667-M779 HydrophobicContact CD1-CE 3.88Å; I667-F780 PolarHBondContact N-O 3.43Å; I667-A781 WeakPolarHBondContact O-CA 3.49Å; I667-T782 PolarHBondContact O-N 2.88Å; I667-L800 WeakPolarHBondContact CA-O 3.35Å; I667-L800 HydrophobicContact CG1-CB 4.11Å; I667-L800 HydrophobicContact CG1-CD1 4.41Å |
| 668 | T | 92 | Very high | 92 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 172.2 | 180 | 58 | 0 | 0 | 0 | 0 | 111.9 | I666 T782 T788 L800 H801 V802 | I666-T668 HydrophobicContact CG2-CG2 4.28Å; T668-T782 HydrophobicContact CG2-CG2 4.04Å; T668-T788 HydrophobicContact CG2-CG2 3.68Å; T668-L800 PolarHBondContact N-O 3.06Å; T668-L800 PolarHBondContact OG1-O 3.38Å; T668-H801 CarbonylContact O-C 3.58Å; T668-H801 WeakPolarHBondContact O-CA 3.01Å; T668-H801 WeakPolarHBondContact O-CB 3.46Å; T668-V802 PolarHBondContact O-N 3.19Å |
| 669 | G | 86.9 | Confident | 92 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | trans | 130.4 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K675 | G669-K675 PolarHBondContact O-NZ 2.93Š| ||
| 670 | P | 83.3 | Confident | 91.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -62.3 | 156 | -172.3 | 23.3 | -32.8 | 0 | 0 | 0 | 113.2 | G673 K675 A804 M813 F826 | P670-G673 PolarHBondContact O-N 2.99Å; P670-K675 PolarHBondContact O-NZ 3.12Å; P670-A804 HydrophobicContact CG-CB 3.82Å; P670-M813 HydrophobicContact CB-CE 4.13Å; P670-M813 HydrophobicContact CB-SD 4.44Å; P670-M813 HydrophobicContact CG-CE 4.25Å; P670-M813 HydrophobicContact CG-SD 3.92Å; P670-F826 HydrophobicContact CB-CB 4.27Å; P670-F826 HydrophobicContact CB-CD2 3.85Å; P670-F826 HydrophobicContact CB-CG 4.37Å; P670-F826 HydrophobicContact CG-CD2 3.74Å; P670-F826 HydrophobicContact CG-CE2 4.12Å | ||
| 671 | N | 81.3 | Confident | 92.1 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 53% | 0.529 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 148.9 | 167.9 | -70.5 | -11.4 | 0 | 0 | 0 | 109.4 | G673 M813 | N671-G673 PolarHBondContact O-N 3.09Å; N671-M813 VanDerWaalsContact O-CE 3.22Å; N671-M813 WeakPolarHBondContact O-CE 3.37Å |
| 672 | M | 81.4 | Confident | 92.2 | Very high | 167 Ų | 167 | 26.6 Ų | 26.6 | 82% | 0.823 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 1.8 | -171.5 | -53.1 | 176.1 | 173 | 0 | 0 | 115.5 | G674 M813 Y815 | M672-G674 PolarHBondContact O-N 2.94Å; M672-G674 VanDerWaalsContact O-N 3.15Å; M672-M813 HydrophobicContact CB-CE 4.42Å; M672-Y815 WeakPolarHBondContact O-CE1 3.45Å |
| 673 | G | 82.1 | Confident | 92.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -72.7 | 1.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P670 N671 V802 | P670-G673 PolarHBondContact O-N 2.99Å; N671-G673 PolarHBondContact O-N 3.09Å; G673-V802 WeakPolarHBondContact O-CB 3.47Å; G673-V802 WeakPolarHBondContact O-CG1 3.27Å |
| 674 | G | 88.7 | Confident | 92.3 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 95 | 9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | M672 S676 T677 Y678 | M672-G674 PolarHBondContact O-N 2.94Å; M672-G674 VanDerWaalsContact O-N 3.15Å; G674-S676 PolarHBondContact O-N 2.96Å; G674-T677 WeakPolarHBondContact O-CB 3.24Å; G674-T677 PolarHBondContact O-N 3.2Å; G674-Y678 WeakPolarHBondContact O-CB 3.37Å; G674-Y678 PolarHBondContact O-N 3.07Å |
| 675 | K | 92.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.5 | -53.9 | 179.7 | -58.1 | -171.4 | -62.6 | -81.2 | 0 | 112.9 | I667 G669 P670 T677 Y678 I679 A781 V802 | I667-K675 HydrophobicContact CG2-CB 4.36Å; I667-K675 HydrophobicContact CG2-CD 4.43Å; I667-K675 HydrophobicContact CG2-CG 4.17Å; G669-K675 PolarHBondContact O-NZ 2.93Å; P670-K675 PolarHBondContact O-NZ 3.12Å; K675-T677 VanDerWaalsContact C-N 3.32Å; K675-T677 PolarHBondContact O-N 2.53Å; K675-Y678 PolarHBondContact O-N 3.41Å; K675-I679 PolarHBondContact O-N 3.43Å; K675-I679 VanDerWaalsContact O-N 3.13Å; K675-A781 HydrophobicContact CB-CB 4Å; K675-V802 HydrophobicContact CD-CG2 4.29Å; K675-V802 HydrophobicContact CG-CG1 4.17Å; K675-V802 HydrophobicContact CG-CG2 3.59Å |
| 676 | S | 91.4 | Very high | 92.3 | Very high | 36 Ų | 36 | 24.1 Ų | 24.1 | 25% | 0.252 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 179.7 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | G674 I679 R680 D748 | G674-S676 PolarHBondContact O-N 2.96Å; S676-I679 VanDerWaalsContact O-CG1 3.3Å; S676-I679 WeakPolarHBondContact O-CG1 3.08Å; S676-R680 VanDerWaalsContact O-CB 3.3Å; S676-R680 WeakPolarHBondContact O-CB 3.31Å; S676-R680 WeakPolarHBondContact O-CD 3.44Å; S676-R680 WeakPolarHBondContact O-CG 3.41Å; S676-R680 PolarHBondContact O-N 2.96Å; S676-D748 WeakPolarHBondContact CB-OD2 3.31Å; S676-D748 PolarHBondContact OG-OD1 3.2Å; S676-D748 PolarHBondContact OG-OD2 2.96Å |
| 677 | T | 92.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 31% | 0.307 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.8 | -42 | 176.1 | -51.5 | 0 | 0 | 0 | 0 | 111 | H639 F650 G674 K675 R680 Q681 | H639-T677 HydrophobicContact CB-CG2 4.21Å; F650-T677 HydrophobicContact CE2-CG2 3.94Å; F650-T677 HydrophobicContact CZ-CG2 4.12Å; G674-T677 WeakPolarHBondContact O-CB 3.24Å; G674-T677 PolarHBondContact O-N 3.2Å; K675-T677 VanDerWaalsContact C-N 3.32Å; K675-T677 PolarHBondContact O-N 2.53Å; T677-R680 PolarHBondContact O-N 3.28Å; T677-Q681 WeakPolarHBondContact O-CB 3.28Å; T677-Q681 PolarHBondContact O-N 3.16Å |
| 678 | Y | 96 | Very high | 92.5 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 179.5 | -180 | -110.1 | 0 | 0 | 0 | 113.3 | N653 D654 I655 I667 G674 K675 Q681 T682 M779 L800 V817 | N653-Y678 HydrophobicContact CB-CD2 3.92Å; N653-Y678 HydrophobicContact CB-CE2 3.73Å; D654-Y678 PolarHBondContact O-OH 3.32Å; I655-Y678 HydrophobicContact CD1-CE2 4.14Å; I655-Y678 HydrophobicContact CG1-CD2 4.48Å; I655-Y678 HydrophobicContact CG1-CE2 3.52Å; I655-Y678 WeakPolarHBondContact CG1-OH 3.46Å; I667-Y678 HydrophobicContact CD1-CD1 3.95Å; I667-Y678 HydrophobicContact CD1-CE1 4.07Å; G674-Y678 WeakPolarHBondContact O-CB 3.37Å; G674-Y678 PolarHBondContact O-N 3.07Å; K675-Y678 PolarHBondContact O-N 3.41Å; Y678-Q681 VanDerWaalsContact O-CG 3.23Å; Y678-Q681 WeakPolarHBondContact O-CG 3.23Å; Y678-T682 PolarHBondContact O-N 3.44Å; Y678-T682 PolarHBondContact O-OG1 2.8Å; Y678-M779 HydrophobicContact CD1-CE 3.57Å; Y678-M779 HydrophobicContact CE1-CE 3.19Å; Y678-L800 HydrophobicContact CE1-CD1 4.18Å; Y678-V817 HydrophobicContact CD1-CG2 4.11Å; Y678-V817 HydrophobicContact CD2-CG2 3.73Å; Y678-V817 HydrophobicContact CE1-CG1 4.13Å; Y678-V817 HydrophobicContact CE1-CG2 4.23Å; Y678-V817 HydrophobicContact CE2-CB 4.35Å; Y678-V817 HydrophobicContact CE2-CG2 3.88Å; Y678-V817 HydrophobicContact CG-CG2 3.84Å |
| 679 | I | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.1 | -38.2 | 176.4 | 66.6 | -174.3 | 0 | 0 | 0 | 111.8 | I667 K675 S676 T682 G683 I746 D748 M779 A781 | I667-I679 HydrophobicContact CD1-CG2 3.44Å; I667-I679 VanDerWaalsContact CD1-CG2 3.44Å; K675-I679 PolarHBondContact O-N 3.43Å; K675-I679 VanDerWaalsContact O-N 3.13Å; S676-I679 VanDerWaalsContact O-CG1 3.3Å; S676-I679 WeakPolarHBondContact O-CG1 3.08Å; I679-T682 WeakPolarHBondContact O-CB 3.43Å; I679-T682 PolarHBondContact O-N 2.6Å; I679-G683 PolarHBondContact O-N 2.75Å; I679-I746 HydrophobicContact CB-CG2 3.91Å; I679-I746 HydrophobicContact CD1-CG2 3.69Å; I679-I746 HydrophobicContact CG1-CG2 3.73Å; I679-D748 HydrophobicContact CD1-CB 3.81Å; I679-M779 HydrophobicContact CB-CB 4.2Å; I679-M779 HydrophobicContact CB-SD 4.25Å; I679-M779 HydrophobicContact CG2-CB 3.66Å; I679-M779 HydrophobicContact CG2-CE 4.16Å; I679-M779 HydrophobicContact CG2-CG 4.49Å; I679-M779 HydrophobicContact CG2-SD 4.16Å; I679-A781 HydrophobicContact CD1-CB 3.97Å |
| 680 | R | 94.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 23 Ų | 23 | 31% | 0.306 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.6 | -41.9 | 178.9 | -70.3 | 170.8 | -165.3 | -168.4 | 11.6 | 112.2 | A309 L310 S676 T677 T682 G683 V684 | A309-R680 VanDerWaalsContact O-CD 3.3Å; A309-R680 WeakPolarHBondContact O-CD 3.18Å; L310-R680 WeakPolarHBondContact CD2-O 3.5Å; S676-R680 VanDerWaalsContact O-CB 3.3Å; S676-R680 WeakPolarHBondContact O-CB 3.31Å; S676-R680 WeakPolarHBondContact O-CD 3.44Å; S676-R680 WeakPolarHBondContact O-CG 3.41Å; S676-R680 PolarHBondContact O-N 2.96Å; T677-R680 PolarHBondContact O-N 3.28Å; R680-T682 PolarHBondContact O-N 2.74Å; R680-G683 PolarHBondContact O-N 3.04Å; R680-V684 WeakPolarHBondContact O-CG2 3.36Å; R680-V684 PolarHBondContact O-N 3.08Å |
| 681 | Q | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -35 | 177.8 | 73.9 | 177.7 | 32.1 | 0 | 0 | 111.8 | S637 H639 F650 I655 T677 Y678 V684 I685 | S637-Q681 PolarHBondContact O-NE2 3.47Å; S637-Q681 PolarHBondContact OG-NE2 3.44Å; H639-Q681 HydrophobicContact CB-CB 3.7Å; F650-Q681 VanDerWaalsContact CZ-OE1 3.23Å; I655-Q681 HydrophobicContact CD1-CG 4.49Å; T677-Q681 WeakPolarHBondContact O-CB 3.28Å; T677-Q681 PolarHBondContact O-N 3.16Å; Y678-Q681 VanDerWaalsContact O-CG 3.23Å; Y678-Q681 WeakPolarHBondContact O-CG 3.23Å; Q681-V684 PolarHBondContact O-N 3.25Å; Q681-I685 WeakPolarHBondContact O-CD1 3.39Å; Q681-I685 VanDerWaalsContact O-CG1 3.28Å; Q681-I685 WeakPolarHBondContact O-CG1 3.37Å; Q681-I685 PolarHBondContact O-N 2.94Å |
| 682 | T | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | I655 F657 Y678 I679 R680 V684 I685 V686 M779 | I655-T682 HydrophobicContact CD1-CG2 4.14Å; I655-T682 WeakPolarHBondContact CD1-OG1 3.3Å; I655-T682 HydrophobicContact CG2-CG2 4.06Å; F657-T682 HydrophobicContact CE2-CG2 4.4Å; Y678-T682 PolarHBondContact O-N 3.44Å; Y678-T682 PolarHBondContact O-OG1 2.8Å; I679-T682 WeakPolarHBondContact O-CB 3.43Å; I679-T682 PolarHBondContact O-N 2.6Å; R680-T682 PolarHBondContact O-N 2.74Å; T682-V684 VanDerWaalsContact C-N 3.34Å; T682-V684 PolarHBondContact O-N 3.39Å; T682-I685 PolarHBondContact O-N 2.76Å; T682-V686 WeakPolarHBondContact O-CG2 3.2Å; T682-V686 PolarHBondContact O-N 2.97Å; T682-V686 VanDerWaalsContact O-N 3.14Å; T682-M779 HydrophobicContact CG2-SD 3.75Å; T682-M779 PolarHBondContact OG1-SD 3.39Å; T682-M779 VanDerWaalsContact OG1-SD 3.33Å |
| 683 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | I679 R680 L687 | I679-G683 PolarHBondContact O-N 2.75Å; R680-G683 PolarHBondContact O-N 3.04Å; G683-L687 WeakPolarHBondContact O-CB 3.44Å; G683-L687 PolarHBondContact O-N 3.22Å |
| 684 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 111 | L310 L326 A640 R680 Q681 T682 L687 M688 | L310-V684 HydrophobicContact CB-CG2 4.09Å; L310-V684 HydrophobicContact CD2-CG2 4.03Å; L326-V684 HydrophobicContact CD1-CG1 3.97Å; L326-V684 HydrophobicContact CD2-CG1 4.26Å; A640-V684 HydrophobicContact CB-CG1 4.24Å; R680-V684 WeakPolarHBondContact O-CG2 3.36Å; R680-V684 PolarHBondContact O-N 3.08Å; Q681-V684 PolarHBondContact O-N 3.25Å; T682-V684 VanDerWaalsContact C-N 3.34Å; T682-V684 PolarHBondContact O-N 3.39Å; V684-L687 PolarHBondContact O-N 3.33Å; V684-M688 HydrophobicContact CG1-CG 4.24Å; V684-M688 HydrophobicContact CG1-SD 3.71Å; V684-M688 WeakPolarHBondContact O-CB 3.38Å; V684-M688 VanDerWaalsContact O-CG 3.25Å; V684-M688 WeakPolarHBondContact O-CG 3.42Å; V684-M688 PolarHBondContact O-N 2.91Å |
| 685 | I | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | -178.5 | -70.3 | 162.8 | 0 | 0 | 0 | 111.5 | L634 Q681 T682 L687 M688 A689 V695 P696 | L634-I685 HydrophobicContact CD1-CB 4.06Å; L634-I685 HydrophobicContact CD1-CD1 3.94Å; L634-I685 HydrophobicContact CD1-CG2 3.71Å; L634-I685 HydrophobicContact CD2-CG2 3.83Å; L634-I685 HydrophobicContact CG-CG2 4.43Å; Q681-I685 WeakPolarHBondContact O-CD1 3.39Å; Q681-I685 VanDerWaalsContact O-CG1 3.28Å; Q681-I685 WeakPolarHBondContact O-CG1 3.37Å; Q681-I685 PolarHBondContact O-N 2.94Å; T682-I685 PolarHBondContact O-N 2.76Å; I685-L687 VanDerWaalsContact C-N 3.34Å; I685-L687 PolarHBondContact O-N 3.37Å; I685-M688 PolarHBondContact O-N 2.85Å; I685-A689 WeakPolarHBondContact O-CB 3.34Å; I685-A689 PolarHBondContact O-N 3.02Å; I685-V695 HydrophobicContact CG2-CB 3.94Å; I685-V695 HydrophobicContact CG2-CG1 4.05Å; I685-V695 HydrophobicContact CG2-CG2 4.29Å; I685-P696 HydrophobicContact CD1-CG 4.26Å; I685-P696 HydrophobicContact CG1-CG 3.89Å |
| 686 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | M300 I632 T682 A689 Q690 V702 V705 I708 L744 | M300-V686 HydrophobicContact CE-CG1 4.21Å; I632-V686 HydrophobicContact CD1-CG2 4.13Å; I632-V686 HydrophobicContact CG2-CG2 4.31Å; T682-V686 WeakPolarHBondContact O-CG2 3.2Å; T682-V686 PolarHBondContact O-N 2.97Å; T682-V686 VanDerWaalsContact O-N 3.14Å; V686-A689 PolarHBondContact O-N 2.82Å; V686-Q690 PolarHBondContact O-N 3.32Å; V686-Q690 VanDerWaalsContact O-N 3.12Å; V686-V702 HydrophobicContact CB-CG1 4.49Å; V686-V702 HydrophobicContact CG1-CG1 4.22Å; V686-V702 HydrophobicContact CG2-CG1 4.24Å; V686-V705 HydrophobicContact CG1-CB 3.92Å; V686-V705 HydrophobicContact CG1-CG2 3.65Å; V686-I708 HydrophobicContact CB-CD1 4.44Å; V686-I708 HydrophobicContact CG1-CD1 4.25Å; V686-L744 HydrophobicContact CB-CD2 4.42Å; V686-L744 HydrophobicContact CG2-CD2 4.18Å |
| 687 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.2 | -178.1 | 142.4 | 0 | 0 | 0 | 111.6 | M300 L302 L310 L312 L326 P349 G683 V684 I685 A689 Q690 I691 I708 | M300-L687 HydrophobicContact SD-CD1 4.46Å; L302-L687 HydrophobicContact CD1-CD1 4.04Å; L302-L687 HydrophobicContact CD2-CD1 4.33Å; L310-L687 HydrophobicContact CD1-CD1 4.12Å; L312-L687 HydrophobicContact CD1-CD1 3.97Å; L312-L687 HydrophobicContact CD2-CD1 3.93Å; L312-L687 HydrophobicContact CD2-CD2 3.89Å; L326-L687 HydrophobicContact CD2-CD2 3.69Å; P349-L687 HydrophobicContact CG-CD1 4.12Å; P349-L687 HydrophobicContact CG-CG 3.97Å; G683-L687 WeakPolarHBondContact O-CB 3.44Å; G683-L687 PolarHBondContact O-N 3.22Å; V684-L687 PolarHBondContact O-N 3.33Å; I685-L687 VanDerWaalsContact C-N 3.34Å; I685-L687 PolarHBondContact O-N 3.37Å; L687-A689 VanDerWaalsContact C-N 3.34Å; L687-A689 PolarHBondContact O-N 3.4Å; L687-Q690 PolarHBondContact O-N 3.2Å; L687-I691 HydrophobicContact CD2-CD1 3.43Å; L687-I691 VanDerWaalsContact CD2-CD1 3.43Å; L687-I691 HydrophobicContact CD2-CG1 4.26Å; L687-I691 HydrophobicContact CG-CD1 4.34Å; L687-I691 VanDerWaalsContact O-CG1 3.28Å; L687-I691 WeakPolarHBondContact O-CG1 3.5Å; L687-I691 PolarHBondContact O-N 3.37Å; L687-I708 HydrophobicContact CB-CD1 4.09Å |
| 688 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 175.6 | -75.2 | 177.2 | 62.6 | 0 | 0 | 112.7 | L326 L330 Y619 A640 V684 I685 I691 G692 C693 F694 V695 | L326-M688 HydrophobicContact CD1-CG 4.19Å; L326-M688 HydrophobicContact CD1-SD 3.85Å; L326-M688 HydrophobicContact CD2-CG 4.21Å; L330-M688 HydrophobicContact CD1-CG 4.29Å; L330-M688 HydrophobicContact CD2-CE 4.09Å; Y619-M688 HydrophobicContact CD2-CE 4.17Å; Y619-M688 HydrophobicContact CE2-CE 3.85Å; A640-M688 HydrophobicContact CB-SD 3.97Å; V684-M688 HydrophobicContact CG1-CG 4.24Å; V684-M688 HydrophobicContact CG1-SD 3.71Å; V684-M688 WeakPolarHBondContact O-CB 3.38Å; V684-M688 VanDerWaalsContact O-CG 3.25Å; V684-M688 WeakPolarHBondContact O-CG 3.42Å; V684-M688 PolarHBondContact O-N 2.91Å; I685-M688 PolarHBondContact O-N 2.85Å; M688-I691 WeakPolarHBondContact O-CB 3.11Å; M688-I691 PolarHBondContact O-N 3.43Å; M688-G692 PolarHBondContact O-N 3.44Å; M688-C693 PolarHBondContact O-N 2.75Å; M688-C693 VanDerWaalsContact O-N 3.13Å; M688-F694 VanDerWaalsContact CE-O 3.27Å; M688-F694 WeakPolarHBondContact CE-O 3.29Å; M688-V695 HydrophobicContact CB-CG1 4.01Å |
| 689 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I356 P622 I624 I685 V686 L687 I691 G692 V695 V702 | I356-A689 WeakPolarHBondContact CG2-O 3.3Å; P622-A689 HydrophobicContact CB-CB 4.03Å; P622-A689 HydrophobicContact CG-CB 3.83Å; I624-A689 HydrophobicContact CD1-CB 4.08Å; I685-A689 WeakPolarHBondContact O-CB 3.34Å; I685-A689 PolarHBondContact O-N 3.02Å; V686-A689 PolarHBondContact O-N 2.82Å; L687-A689 VanDerWaalsContact C-N 3.34Å; L687-A689 PolarHBondContact O-N 3.4Å; A689-I691 VanDerWaalsContact C-N 3.33Å; A689-I691 PolarHBondContact O-N 2.92Å; A689-G692 WeakPolarHBondContact O-CA 3.35Å; A689-G692 PolarHBondContact O-N 2.84Å; A689-V695 HydrophobicContact CB-CG1 4.15Å; A689-V702 HydrophobicContact CB-CB 4.22Å; A689-V702 HydrophobicContact CB-CG1 4.21Å; A689-V702 HydrophobicContact CB-CG2 4.08Å |
| 690 | Q | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.6 | -18.9 | 177.1 | -79.1 | 179.7 | -116.8 | 0 | 0 | 114.1 | M300 P349 L350 M351 I356 V686 L687 G692 V705 | M300-Q690 HydrophobicContact CE-CB 4.28Å; M300-Q690 HydrophobicContact CE-CG 4.32Å; P349-Q690 HydrophobicContact CB-CB 3.87Å; L350-Q690 WeakPolarHBondContact CB-O 3.36Å; L350-Q690 PolarHBondContact N-O 3.13Å; L350-Q690 PolarHBondContact O-NE2 2.92Å; M351-Q690 PolarHBondContact SD-NE2 3.33Å; I356-Q690 HydrophobicContact CD1-CB 4.47Å; I356-Q690 HydrophobicContact CD1-CG 4.04Å; V686-Q690 PolarHBondContact O-N 3.32Å; V686-Q690 VanDerWaalsContact O-N 3.12Å; L687-Q690 PolarHBondContact O-N 3.2Å; Q690-G692 PolarHBondContact O-N 3.38Å; Q690-V705 PolarHBondContact NE2-O 3.31Å; Q690-V705 PolarHBondContact OE1-O 3.28Å |
| 691 | I | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.8 | -25.1 | 163.9 | -74.6 | 170.5 | 0 | 0 | 0 | 110.6 | W345 I346 P349 R359 F608 L687 M688 A689 C693 | W345-I691 HydrophobicContact CB-CG2 4.48Å; I346-I691 HydrophobicContact CB-CD1 4.22Å; I346-I691 HydrophobicContact CG1-CD1 3.78Å; P349-I691 HydrophobicContact CB-CG1 4.46Å; R359-I691 WeakPolarHBondContact CD-O 3.45Å; R359-I691 PolarHBondContact NH1-O 2.88Å; F608-I691 HydrophobicContact CE2-CG2 3.49Å; F608-I691 VanDerWaalsContact CE2-CG2 3.49Å; F608-I691 HydrophobicContact CZ-CG2 3.4Å; L687-I691 HydrophobicContact CD2-CD1 3.43Å; L687-I691 VanDerWaalsContact CD2-CD1 3.43Å; L687-I691 HydrophobicContact CD2-CG1 4.26Å; L687-I691 HydrophobicContact CG-CD1 4.34Å; L687-I691 VanDerWaalsContact O-CG1 3.28Å; L687-I691 WeakPolarHBondContact O-CG1 3.5Å; L687-I691 PolarHBondContact O-N 3.37Å; M688-I691 WeakPolarHBondContact O-CB 3.11Å; M688-I691 PolarHBondContact O-N 3.43Å; A689-I691 VanDerWaalsContact C-N 3.33Å; A689-I691 PolarHBondContact O-N 2.92Å; I691-C693 HydrophobicContact CG2-CB 4.39Å |
| 692 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 34.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M688 A689 Q690 | M688-G692 PolarHBondContact O-N 3.44Å; A689-G692 WeakPolarHBondContact O-CA 3.35Å; A689-G692 PolarHBondContact O-N 2.84Å; Q690-G692 PolarHBondContact O-N 3.38Å |
| 693 | C | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -108.9 | 157.5 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | F608 M688 I691 | F608-C693 HydrophobicContact CB-CB 4.47Å; F608-C693 HydrophobicContact CD1-CB 4.45Å; F608-C693 HydrophobicContact CD2-CB 3.74Å; F608-C693 HydrophobicContact CE2-CB 4.02Å; F608-C693 HydrophobicContact CG-CB 3.99Å; F608-C693 HydrophobicContact CZ-CB 4.49Å; M688-C693 PolarHBondContact O-N 2.75Å; M688-C693 VanDerWaalsContact O-N 3.13Å; I691-C693 HydrophobicContact CG2-CB 4.39Å | ||
| 694 | F | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 13.8 Ų | 13.8 | 5% | 0.053 | 7% | 0.072 | C | C | . | . | trans | -68.8 | 155.6 | 170.3 | -73.3 | 14.2 | 0 | 0 | 0 | 110.2 | L360 V363 E364 V367 Y619 V620 R621 M688 | L360-F694 HydrophobicContact CD2-CD1 4.03Å; L360-F694 HydrophobicContact CD2-CE1 4.33Å; V363-F694 HydrophobicContact CB-CE1 4.35Å; V363-F694 HydrophobicContact CG1-CD1 3.91Å; V363-F694 HydrophobicContact CG1-CE1 3.99Å; V363-F694 HydrophobicContact CG1-CG 4.36Å; E364-F694 HydrophobicContact CB-CE1 4.3Å; E364-F694 HydrophobicContact CB-CZ 3.85Å; E364-F694 HydrophobicContact CG-CZ 4.26Å; V367-F694 HydrophobicContact CB-CE2 4.25Å; V367-F694 HydrophobicContact CG1-CE2 4.17Å; V367-F694 HydrophobicContact CG2-CD2 4.31Å; V367-F694 HydrophobicContact CG2-CE2 4.01Å; Y619-F694 WeakPolarHBondContact CD2-O 3.38Å; V620-F694 WeakPolarHBondContact O-CA 3.42Å; V620-F694 WeakPolarHBondContact O-CB 3.47Å; R621-F694 HydrophobicContact CB-CD1 4.06Å; R621-F694 HydrophobicContact CB-CE1 3.64Å; R621-F694 HydrophobicContact CB-CE2 4.24Å; R621-F694 HydrophobicContact CB-CZ 3.73Å; R621-F694 HydrophobicContact CG-CE1 4Å; R621-F694 HydrophobicContact CG-CZ 4.43Å; M688-F694 VanDerWaalsContact CE-O 3.27Å; M688-F694 WeakPolarHBondContact CE-O 3.29Å | ||
| 695 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 150.7 | -170 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | Y619 V620 P622 I685 M688 A689 C697 A700 | Y619-V695 WeakPolarHBondContact CA-O 3.15Å; Y619-V695 WeakPolarHBondContact CB-O 3.5Å; V620-V695 PolarHBondContact N-O 3Å; V620-V695 WeakPolarHBondContact O-CG2 3.42Å; V620-V695 PolarHBondContact O-N 2.93Å; P622-V695 HydrophobicContact CB-CG1 4.42Å; P622-V695 HydrophobicContact CB-CG2 4.01Å; P622-V695 HydrophobicContact CG-CG1 4.16Å; P622-V695 HydrophobicContact CG-CG2 4.38Å; I685-V695 HydrophobicContact CG2-CB 3.94Å; I685-V695 HydrophobicContact CG2-CG1 4.05Å; I685-V695 HydrophobicContact CG2-CG2 4.29Å; M688-V695 HydrophobicContact CB-CG1 4.01Å; A689-V695 HydrophobicContact CB-CG1 4.15Å; V695-C697 VanDerWaalsContact C-N 3.26Å; V695-C697 HydrophobicContact CG2-CB 4.41Å; V695-C697 PolarHBondContact O-N 3.17Å; V695-A700 HydrophobicContact CG2-CB 3.6Å |
| 696 | P | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -76.1 | 67.2 | -178.6 | 33 | -40.2 | 0 | 0 | 0 | 113.2 | Y619 S637 R638 A640 I685 | Y619-P696 HydrophobicContact CD1-CB 3.91Å; Y619-P696 HydrophobicContact CE1-CB 3.61Å; S637-P696 WeakPolarHBondContact CA-O 3.46Å; R638-P696 HydrophobicContact CB-CB 4.44Å; R638-P696 VanDerWaalsContact CZ-C 3.41Å; R638-P696 PolarHBondContact N-O 2.97Å; R638-P696 PolarHBondContact NE-O 3.21Å; R638-P696 VanDerWaalsContact O-CG 3.23Å; R638-P696 WeakPolarHBondContact O-CG 3.48Å; A640-P696 HydrophobicContact CB-CG 4.2Å; I685-P696 HydrophobicContact CD1-CG 4.26Å; I685-P696 HydrophobicContact CG1-CG 3.89Å |
| 697 | C | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -136.7 | 167.2 | 178.6 | -60 | 0 | 0 | 0 | 0 | 110.7 | V620 V695 S699 A700 | V620-C697 WeakPolarHBondContact CG2-O 3.45Å; V695-C697 VanDerWaalsContact C-N 3.26Å; V695-C697 HydrophobicContact CG2-CB 4.41Å; V695-C697 PolarHBondContact O-N 3.17Å; C697-S699 WeakPolarHBondContact CB-O 3.32Å; C697-A700 HydrophobicContact CB-CB 4.23Å |
| 698 | E | 98.1 | Very high | 98.2 | Very high | 144 Ų | 144 | 14.8 Ų | 14.8 | 67% | 0.673 | 8% | 0.078 | S | C | * | . | S | Bend | trans | -78.3 | -40.5 | 162.5 | -179.4 | -175.9 | 173.3 | 0 | 0 | 110.9 | K635 A636 | K635-E698 HydrophobicContact CB-CB 4.44Å; K635-E698 PolarHBondContact O-N 2.86Å; A636-E698 HydrophobicContact CB-CB 3.99Å |
| 699 | S | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 15.2 Ų | 15.2 | 40% | 0.399 | 8% | 0.08 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151.1 | 168.1 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | K635 C697 | K635-S699 WeakPolarHBondContact CB-OG 3.49Å; K635-S699 VanDerWaalsContact CG-OG 3.28Å; K635-S699 WeakPolarHBondContact CG-OG 3.33Å; K635-S699 PolarHBondContact N-O 2.82Å; C697-S699 WeakPolarHBondContact CB-O 3.32Å |
| 700 | A | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 7% | 0.066 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P622 A623 I633 L634 V695 C697 | P622-A700 HydrophobicContact CB-CB 4.14Å; A623-A700 PolarHBondContact N-O 3.34Å; I633-A700 CarbonylContact O-C 3.47Å; I633-A700 WeakPolarHBondContact O-CA 3.48Å; L634-A700 HydrophobicContact CD2-CB 3.68Å; V695-A700 HydrophobicContact CG2-CB 3.6Å; C697-A700 HydrophobicContact CB-CB 4.23Å |
| 701 | E | 98.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 16 Ų | 16 | 29% | 0.29 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.6 | 164 | -71.8 | -179.6 | -132.9 | 0 | 0 | 107.9 | A623 L625 R631 I632 I633 | A623-E701 HydrophobicContact CB-CG 4.24Å; L625-E701 HydrophobicContact CD1-CB 3.94Å; R631-E701 IonicContact CZ-OE2 3.36Å; R631-E701 IonicContact NH1-OE2 2.83Å; R631-E701 PolarHBondContact NH1-OE2 3.32Å; R631-E701 IonicContact NH2-OE1 2.8Å; R631-E701 IonicContact NH2-OE2 3.79Å; R631-E701 PolarHBondContact NH2-OE2 2.88Å; I632-E701 CarbonylContact C-O 3.46Å; I632-E701 VanDerWaalsContact CA-O 3.29Å; I632-E701 WeakPolarHBondContact CA-O 3.38Å; I633-E701 HydrophobicContact CB-CB 4.3Å; I633-E701 PolarHBondContact N-O 2.91Å; I633-E701 PolarHBondContact O-N 3.47Å |
| 702 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 115.5 | -176.9 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | A623 L625 L634 V686 A689 | A623-V702 PolarHBondContact O-N 3.44Å; L625-V702 PolarHBondContact N-O 3.11Å; L634-V702 HydrophobicContact CD2-CG2 4.05Å; V686-V702 HydrophobicContact CB-CG1 4.49Å; V686-V702 HydrophobicContact CG1-CG1 4.22Å; V686-V702 HydrophobicContact CG2-CG1 4.24Å; A689-V702 HydrophobicContact CB-CB 4.22Å; A689-V702 HydrophobicContact CB-CG1 4.21Å; A689-V702 HydrophobicContact CB-CG2 4.08Å |
| 703 | S | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.3 | 164.7 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | G630 R631 V705 | G630-S703 PolarHBondContact N-OG 3.08Å; R631-S703 PolarHBondContact N-OG 2.85Å; R631-S703 WeakPolarHBondContact O-CB 3.39Å; R631-S703 PolarHBondContact O-N 3.18Å; R631-S703 PolarHBondContact O-OG 3.39Å; S703-V705 WeakPolarHBondContact O-CG2 3.47Å; S703-V705 PolarHBondContact O-N 3.38Å |
| 704 | I | 98.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 123 | 176.2 | -69.2 | 159.2 | 0 | 0 | 0 | 109.5 | M351 K353 I356 I624 L625 K627 | M351-I704 HydrophobicContact CE-CG2 3.47Å; M351-I704 VanDerWaalsContact CE-CG2 3.47Å; M351-I704 HydrophobicContact SD-CG2 3.92Å; K353-I704 HydrophobicContact CB-CD1 3.89Å; I356-I704 HydrophobicContact CD1-CD1 4.15Å; I356-I704 HydrophobicContact CD1-CG1 4.02Å; I624-I704 HydrophobicContact CG2-CD1 4.06Å; I624-I704 HydrophobicContact CG2-CG1 3.94Å; L625-I704 WeakPolarHBondContact O-CG1 3.28Å; L625-I704 PolarHBondContact O-N 3.11Å; K627-I704 HydrophobicContact CB-CB 4.1Å; K627-I704 HydrophobicContact CB-CG2 4.14Å |
| 705 | V | 98.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -100.5 | 133.9 | 179 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | M300 I632 V686 Q690 S703 C707 I708 D742 L744 F777 | M300-V705 HydrophobicContact CE-CB 4.21Å; I632-V705 HydrophobicContact CD1-CG2 4.12Å; V686-V705 HydrophobicContact CG1-CB 3.92Å; V686-V705 HydrophobicContact CG1-CG2 3.65Å; Q690-V705 PolarHBondContact NE2-O 3.31Å; Q690-V705 PolarHBondContact OE1-O 3.28Å; S703-V705 WeakPolarHBondContact O-CG2 3.47Å; S703-V705 PolarHBondContact O-N 3.38Å; V705-C707 WeakPolarHBondContact CG1-O 3.46Å; V705-I708 HydrophobicContact CG1-CG1 4.21Å; V705-D742 WeakPolarHBondContact CA-O 3.41Å; V705-L744 HydrophobicContact CG1-CB 3.84Å; V705-F777 HydrophobicContact CG2-CD2 4.33Å; V705-F777 HydrophobicContact CG2-CE2 4.27Å |
| 706 | D | 94.8 | Very high | 86.8 | Confident | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -85.4 | -31.6 | -177.8 | 67.7 | -6.8 | 0 | 0 | 0 | 114.8 | M300 K301 M351 K627 T740 D742 S743 | M300-D706 WeakPolarHBondContact CA-O 3.22Å; K301-D706 PolarHBondContact N-O 3.34Å; M351-D706 VanDerWaalsContact CE-CA 3.49Å; M351-D706 HydrophobicContact CE-CB 3.71Å; K627-D706 HydrophobicContact CD-CB 4.4Å; K627-D706 IonicContact NZ-OD2 2.88Å; K627-D706 PolarHBondContact NZ-OD2 2.91Å; D706-T740 PolarHBondContact OD1-OG1 3.05Å; D706-T740 WeakPolarHBondContact OD2-CG2 3.43Å; D706-T740 PolarHBondContact OD2-OG1 3.17Å; D706-D742 PolarHBondContact N-O 2.82Å; D706-D742 VanDerWaalsContact N-O 3.16Å; D706-D742 VanDerWaalsContact OD1-C 3.26Å; D706-S743 VanDerWaalsContact OD1-CA 3.28Å; D706-S743 WeakPolarHBondContact OD1-CA 3.37Å; D706-S743 WeakPolarHBondContact OD1-CB 3.37Å; D706-S743 PolarHBondContact OD1-N 2.94Å; D706-S743 PolarHBondContact OD1-OG 2.84Å |
| 707 | C | 96.7 | Very high | 83.9 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.6 | 169.4 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | K301 V705 L709 S743 L744 | K301-C707 HydrophobicContact CB-CB 3.72Å; K301-C707 CarbonylContact O-C 3.02Å; K301-C707 WeakPolarHBondContact O-CA 3.47Å; K301-C707 WeakPolarHBondContact O-CB 3.43Å; V705-C707 WeakPolarHBondContact CG1-O 3.46Å; C707-L709 HydrophobicContact CB-CG 4.39Å; C707-S743 WeakPolarHBondContact O-CA 3.38Å; C707-S743 WeakPolarHBondContact SG-CB 3.31Å; C707-S743 PolarHBondContact SG-OG 2.83Å; C707-L744 PolarHBondContact O-N 2.96Å |
| 708 | I | 98.1 | Very high | 81 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.3 | 166.3 | -57.4 | 173.6 | 0 | 0 | 0 | 107.2 | M300 K301 L302 A306 L310 V686 L687 V705 L744 I746 | M300-I708 HydrophobicContact CE-CD1 3.92Å; M300-I708 HydrophobicContact CE-CG1 4.13Å; M300-I708 HydrophobicContact SD-CB 4.35Å; M300-I708 HydrophobicContact SD-CD1 3.49Å; M300-I708 WeakPolarHBondContact SD-CD1 3.13Å; M300-I708 HydrophobicContact SD-CG1 3.57Å; M300-I708 VanDerWaalsContact SD-CG1 3.57Å; K301-I708 PolarHBondContact O-N 3.05Å; L302-I708 HydrophobicContact CD2-CB 3.7Å; L302-I708 HydrophobicContact CD2-CG1 4.38Å; A306-I708 HydrophobicContact CB-CG2 4.38Å; A306-I708 WeakPolarHBondContact CB-O 3.45Å; L310-I708 HydrophobicContact CD1-CD1 4.35Å; L310-I708 HydrophobicContact CD1-CG2 4.3Å; V686-I708 HydrophobicContact CB-CD1 4.44Å; V686-I708 HydrophobicContact CG1-CD1 4.25Å; L687-I708 HydrophobicContact CB-CD1 4.09Å; V705-I708 HydrophobicContact CG1-CG1 4.21Å; I708-L744 WeakPolarHBondContact CA-O 3.4Å; I708-L744 HydrophobicContact CD1-CD2 4.45Å; I708-L744 HydrophobicContact CG1-CB 4.23Å; I708-L744 HydrophobicContact CG1-CD2 4.29Å; I708-L744 HydrophobicContact CG2-CD2 4.48Å; I708-I746 HydrophobicContact CG2-CD1 4.13Å |
| 709 | L | 96.1 | Very high | 78.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133 | -177.1 | -62.4 | 172.8 | 0 | 0 | 0 | 108.6 | D303 C707 I735 A739 L744 I745 I746 | D303-L709 HydrophobicContact CB-CD2 4.06Å; C707-L709 HydrophobicContact CB-CG 4.39Å; L709-I735 HydrophobicContact CB-CG1 4.16Å; L709-I735 HydrophobicContact CB-CG2 4.19Å; L709-I735 HydrophobicContact CD1-CG2 4.18Å; L709-A739 HydrophobicContact CD1-CB 3.73Å; L709-L744 PolarHBondContact N-O 3.33Å; L709-I745 WeakPolarHBondContact O-CA 3.44Å; L709-I746 PolarHBondContact O-N 3.34Å |
| 710 | A | 92.6 | Very high | 76 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D303 A305 A306 A309 V712 I746 | D303-A710 PolarHBondContact OD1-N 3.44Å; D303-A710 PolarHBondContact OD2-N 3Å; D303-A710 VanDerWaalsContact OD2-N 3.08Å; A305-A710 HydrophobicContact CB-CB 4.5Å; A305-A710 WeakPolarHBondContact CB-O 3.33Å; A306-A710 HydrophobicContact CB-CB 3.8Å; A309-A710 HydrophobicContact CB-CB 4.14Å; A710-V712 HydrophobicContact CB-CG2 4.21Å; A710-I746 CarbonylContact C-O 3.55Å; A710-I746 VanDerWaalsContact CA-O 3.31Å; A710-I746 WeakPolarHBondContact CA-O 3.48Å; A710-I746 HydrophobicContact CB-CB 4.38Å |
| 711 | R | 90.3 | Very high | 74.1 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 90.3 | 160.8 | 176.3 | 60.3 | -167 | 75.6 | 12.1 | 107.4 | E728 E731 I735 I746 D748 L750 | R711-E728 IonicContact CZ-OE2 2.98Å; R711-E728 IonicContact NH2-OE2 2.72Å; R711-E728 PolarHBondContact NH2-OE2 3.36Å; R711-E731 VanDerWaalsContact CD-OE2 3.28Å; R711-E731 WeakPolarHBondContact CD-OE2 3.49Å; R711-E731 IonicContact NE-OE2 3.76Å; R711-I735 HydrophobicContact CB-CD1 3.74Å; R711-I746 PolarHBondContact N-O 2.89Å; R711-D748 PolarHBondContact O-N 3.15Å; R711-L750 HydrophobicContact CG-CD1 4.25Å |
| 712 | V | 75.8 | Confident | 72.5 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | trans | -117 | 125.5 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | A309 A710 A714 I746 D748 | A309-V712 HydrophobicContact CB-CB 3.96Å; A309-V712 HydrophobicContact CB-CG1 4.41Å; A309-V712 HydrophobicContact CB-CG2 3.69Å; A710-V712 HydrophobicContact CB-CG2 4.21Å; V712-A714 PolarHBondContact O-N 2.98Å; V712-A714 VanDerWaalsContact O-N 3.16Å; V712-I746 HydrophobicContact CG2-CG2 4.21Å; V712-D748 HydrophobicContact CB-CB 4.35Å; V712-D748 HydrophobicContact CG1-CB 4.24Å; V712-D748 HydrophobicContact CG2-CB 4.09Å | ||
| 713 | G | 62.9 | Low | 71.3 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | trans | -37.3 | 118 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G715 | G713-G715 PolarHBondContact O-N 3.15Š| ||
| 714 | A | 47.6 | Very low | 70.3 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | trans | -66.3 | 118 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | V712 D716 | V712-A714 PolarHBondContact O-N 2.98Å; V712-A714 VanDerWaalsContact O-N 3.16Å; A714-D716 PolarHBondContact O-N 3.41Å | ||
| 715 | G | 45.5 | Very low | 69.5 | Low | 70 Ų | 70 | 57.8 Ų | 57.8 | 72% | 0.722 | 37% | 0.365 | S | S | * | . | trans | -50.2 | 128.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | G713 S717 | G713-G715 PolarHBondContact O-N 3.15Å; G715-S717 PolarHBondContact O-N 3.19Å | ||
| 716 | D | 37.4 | Very low | 68.7 | Low | 126 Ų | 126 | 62.6 Ų | 62.6 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | trans | -39.5 | 92.3 | -169.7 | -79.9 | -43.1 | 0 | 0 | 0 | 112.7 | A714 Q718 T724 | A714-D716 PolarHBondContact O-N 3.41Å; D716-Q718 PolarHBondContact O-N 3.35Å; D716-T724 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 717 | S | 38.8 | Very low | 67.9 | Low | 60 Ų | 60 | 62.9 Ų | 62.9 | 42% | 0.42 | 39% | 0.394 | S | S | . | . | trans | -95.8 | 80.6 | 173.1 | -154 | 0 | 0 | 0 | 0 | 106.6 | G715 L719 K720 | G715-S717 PolarHBondContact O-N 3.19Å; S717-L719 PolarHBondContact O-N 3.04Å; S717-K720 PolarHBondContact O-N 3.02Å | ||
| 718 | Q | 37 | Very low | 67.4 | Low | 180 Ų | 180 | 63.2 Ų | 63.2 | 84% | 0.841 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -54.7 | -14.8 | 175 | -68.4 | -166.5 | -3.3 | 0 | 0 | 112.9 | D716 K720 | D716-Q718 PolarHBondContact O-N 3.35Å; Q718-K720 VanDerWaalsContact C-N 3.26Å; Q718-K720 PolarHBondContact O-N 2.95Å |
| 719 | L | 39.2 | Very low | 66.9 | Low | 165 Ų | 165 | 65.2 Ų | 65.2 | 86% | 0.864 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -71.8 | -5.4 | -177.8 | -70.5 | 163.7 | 0 | 0 | 0 | 115.2 | S717 | S717-L719 PolarHBondContact O-N 3.04Š|
| 720 | K | 52.9 | Low | 66.3 | Low | 88 Ų | 88 | 68.5 Ų | 68.5 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -89.1 | -0.7 | -175.9 | -78.5 | -172.9 | 176.9 | 175.9 | 0 | 116.3 | S717 Q718 V722 | S717-K720 PolarHBondContact O-N 3.02Å; Q718-K720 VanDerWaalsContact C-N 3.26Å; Q718-K720 PolarHBondContact O-N 2.95Å; K720-V722 HydrophobicContact CB-CG2 4.24Å; K720-V722 PolarHBondContact O-N 3.28Å; K720-V722 VanDerWaalsContact O-N 3.09Å |
| 721 | G | 57.2 | Low | 65.9 | Low | 79 Ų | 79 | 69.6 Ų | 69.6 | 81% | 0.814 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 65.6 | 11.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 722 | V | 66 | Low | 66 | Low | 72 Ų | 72 | 69.1 Ų | 69.1 | 44% | 0.436 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -128.2 | 148.3 | 174.2 | -70.3 | 0 | 0 | 0 | 0 | 110 | K720 A727 | K720-V722 HydrophobicContact CB-CG2 4.24Å; K720-V722 PolarHBondContact O-N 3.28Å; K720-V722 VanDerWaalsContact O-N 3.09Å; V722-A727 HydrophobicContact CG2-CB 4.13Å |
| 723 | S | 73.6 | Confident | 66.6 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | trans | -58 | 141.6 | 173.5 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | F725 M726 A727 | S723-F725 PolarHBondContact O-N 3.38Å; S723-M726 WeakPolarHBondContact O-CB 3.31Å; S723-M726 PolarHBondContact O-N 2.81Å; S723-A727 PolarHBondContact O-N 2.7Å | ||
| 724 | T | 76.8 | Confident | 67.8 | Low | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.9 | -41.7 | 179 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | D716 A727 E728 | D716-T724 WeakPolarHBondContact OD1-CG2 3.39Å; T724-A727 PolarHBondContact O-N 3.01Å; T724-E728 PolarHBondContact O-N 3.22Å; T724-E728 VanDerWaalsContact O-N 3.11Å |
| 725 | F | 81.8 | Confident | 70 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.2 | -176.8 | -108.5 | 0 | 0 | 0 | 112.6 | S723 A727 E728 M729 T754 L762 | S723-F725 PolarHBondContact O-N 3.38Å; F725-A727 PolarHBondContact O-N 3.16Å; F725-E728 WeakPolarHBondContact O-CB 3.36Å; F725-E728 PolarHBondContact O-N 3.27Å; F725-M729 HydrophobicContact CD1-CG 4.26Å; F725-M729 HydrophobicContact CE1-CG 3.84Å; F725-M729 HydrophobicContact CE1-SD 4.38Å; F725-M729 HydrophobicContact CE2-CE 3.89Å; F725-M729 HydrophobicContact CE2-CG 4.29Å; F725-M729 HydrophobicContact CE2-SD 4.24Å; F725-M729 HydrophobicContact CZ-CE 4.12Å; F725-M729 HydrophobicContact CZ-CG 3.86Å; F725-M729 HydrophobicContact CZ-SD 3.84Å; F725-M729 WeakPolarHBondContact O-CG 3.3Å; F725-M729 PolarHBondContact O-N 2.91Å; F725-T754 HydrophobicContact CD2-CG2 4.16Å; F725-T754 HydrophobicContact CE2-CG2 3.45Å; F725-T754 VanDerWaalsContact CE2-CG2 3.45Å; F725-T754 HydrophobicContact CZ-CG2 3.84Å; F725-L762 HydrophobicContact CE2-CD1 4.34Å; F725-L762 HydrophobicContact CZ-CD1 3.85Å |
| 726 | M | 80.8 | Confident | 72.3 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177 | -178.6 | 61.8 | 77.8 | 0 | 0 | 111.5 | S723 E728 M729 L730 | S723-M726 WeakPolarHBondContact O-CB 3.31Å; S723-M726 PolarHBondContact O-N 2.81Å; M726-E728 VanDerWaalsContact C-N 3.29Å; M726-E728 PolarHBondContact O-N 3.21Å; M726-M729 PolarHBondContact O-N 3.2Å; M726-L730 HydrophobicContact CG-CD1 4.11Å; M726-L730 HydrophobicContact CG-CG 4.4Å; M726-L730 WeakPolarHBondContact O-CG 3.48Å; M726-L730 PolarHBondContact O-N 2.96Å; M726-L730 HydrophobicContact SD-CG 4.29Å |
| 727 | A | 79.6 | Confident | 74.9 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 21% | 0.207 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | V722 S723 T724 F725 M729 L730 E731 | V722-A727 HydrophobicContact CG2-CB 4.13Å; S723-A727 PolarHBondContact O-N 2.7Å; T724-A727 PolarHBondContact O-N 3.01Å; F725-A727 PolarHBondContact O-N 3.16Å; A727-M729 PolarHBondContact O-N 3.21Å; A727-L730 PolarHBondContact O-N 3.15Å; A727-E731 WeakPolarHBondContact O-CB 3.31Å; A727-E731 WeakPolarHBondContact O-CG 3.31Å; A727-E731 PolarHBondContact O-N 3.09Å |
| 728 | E | 84.8 | Confident | 77.4 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.6 | 172.8 | 172.9 | 138.5 | 0 | 0 | 113 | R711 T724 F725 M726 T732 L750 G751 | R711-E728 IonicContact CZ-OE2 2.98Å; R711-E728 IonicContact NH2-OE2 2.72Å; R711-E728 PolarHBondContact NH2-OE2 3.36Å; T724-E728 PolarHBondContact O-N 3.22Å; T724-E728 VanDerWaalsContact O-N 3.11Å; F725-E728 WeakPolarHBondContact O-CB 3.36Å; F725-E728 PolarHBondContact O-N 3.27Å; M726-E728 VanDerWaalsContact C-N 3.29Å; M726-E728 PolarHBondContact O-N 3.21Å; E728-T732 WeakPolarHBondContact O-CB 3.47Å; E728-T732 PolarHBondContact O-N 3.35Å; E728-T732 PolarHBondContact O-OG1 3Å; E728-L750 HydrophobicContact CG-CD1 3.46Å; E728-L750 VanDerWaalsContact CG-CD1 3.46Å; E728-L750 WeakPolarHBondContact OE1-CD1 3.42Å; E728-G751 WeakPolarHBondContact OE1-CA 3.33Å; E728-G751 PolarHBondContact OE1-N 3.41Å |
| 729 | M | 87.6 | Confident | 80.2 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -66.9 | -61.6 | 96.7 | 0 | 0 | 112.4 | F725 M726 A727 T732 A733 L750 L762 | F725-M729 HydrophobicContact CD1-CG 4.26Å; F725-M729 HydrophobicContact CE1-CG 3.84Å; F725-M729 HydrophobicContact CE1-SD 4.38Å; F725-M729 HydrophobicContact CE2-CE 3.89Å; F725-M729 HydrophobicContact CE2-CG 4.29Å; F725-M729 HydrophobicContact CE2-SD 4.24Å; F725-M729 HydrophobicContact CZ-CE 4.12Å; F725-M729 HydrophobicContact CZ-CG 3.86Å; F725-M729 HydrophobicContact CZ-SD 3.84Å; F725-M729 WeakPolarHBondContact O-CG 3.3Å; F725-M729 PolarHBondContact O-N 2.91Å; M726-M729 PolarHBondContact O-N 3.2Å; A727-M729 PolarHBondContact O-N 3.21Å; M729-T732 PolarHBondContact O-N 2.92Å; M729-A733 VanDerWaalsContact O-CB 3.31Å; M729-A733 WeakPolarHBondContact O-CB 3.5Å; M729-A733 PolarHBondContact O-N 3.34Å; M729-L750 HydrophobicContact CE-CD1 4.32Å; M729-L762 HydrophobicContact CE-CD1 4.38Å; M729-L762 HydrophobicContact SD-CD1 4.02Å |
| 730 | L | 84.1 | Confident | 82.9 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.1 | -71.7 | 172.8 | 0 | 0 | 0 | 111.9 | M726 A727 A733 S734 | M726-L730 HydrophobicContact CG-CD1 4.11Å; M726-L730 HydrophobicContact CG-CG 4.4Å; M726-L730 WeakPolarHBondContact O-CG 3.48Å; M726-L730 PolarHBondContact O-N 2.96Å; M726-L730 HydrophobicContact SD-CG 4.29Å; A727-L730 PolarHBondContact O-N 3.15Å; L730-A733 PolarHBondContact O-N 3.22Å; L730-S734 PolarHBondContact O-N 3.16Å |
| 731 | E | 85.4 | Confident | 85 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175 | -75.3 | 176.6 | 177.5 | 0 | 0 | 110.7 | R219 R711 A727 A733 S734 I735 | R219-E731 IonicContact NH2-OE1 2.83Å; R219-E731 PolarHBondContact NH2-OE1 2.65Å; R711-E731 VanDerWaalsContact CD-OE2 3.28Å; R711-E731 WeakPolarHBondContact CD-OE2 3.49Å; R711-E731 IonicContact NE-OE2 3.76Å; A727-E731 WeakPolarHBondContact O-CB 3.31Å; A727-E731 WeakPolarHBondContact O-CG 3.31Å; A727-E731 PolarHBondContact O-N 3.09Å; E731-A733 VanDerWaalsContact C-N 3.35Å; E731-A733 PolarHBondContact O-N 3.24Å; E731-S734 WeakPolarHBondContact O-CB 3.35Å; E731-S734 PolarHBondContact O-N 3.28Å; E731-S734 VanDerWaalsContact O-N 3.13Å; E731-I735 WeakPolarHBondContact O-CG1 3.35Å; E731-I735 PolarHBondContact O-N 3.11Å |
| 732 | T | 90.6 | Very high | 87 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 178.9 | -48 | 0 | 0 | 0 | 0 | 112 | E728 M729 S734 I735 L736 L750 I766 | E728-T732 WeakPolarHBondContact O-CB 3.47Å; E728-T732 PolarHBondContact O-N 3.35Å; E728-T732 PolarHBondContact O-OG1 3Å; M729-T732 PolarHBondContact O-N 2.92Å; T732-S734 VanDerWaalsContact C-N 3.3Å; T732-S734 PolarHBondContact O-N 3.21Å; T732-I735 PolarHBondContact O-N 3.35Å; T732-L736 HydrophobicContact CG2-CD1 4.27Å; T732-L736 HydrophobicContact CG2-CG 4.35Å; T732-L736 VanDerWaalsContact O-CG 3.28Å; T732-L736 WeakPolarHBondContact O-CG 3.3Å; T732-L736 PolarHBondContact O-N 3.38Å; T732-L750 HydrophobicContact CG2-CD2 4.41Å; T732-L750 WeakPolarHBondContact OG1-CD1 3.41Å; T732-I766 HydrophobicContact CG2-CD1 3.85Å; T732-I766 HydrophobicContact CG2-CG1 4.42Å; T732-I766 HydrophobicContact CG2-CG2 3.94Å |
| 733 | A | 89.5 | Confident | 88.5 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M729 L730 E731 R737 | M729-A733 VanDerWaalsContact O-CB 3.31Å; M729-A733 WeakPolarHBondContact O-CB 3.5Å; M729-A733 PolarHBondContact O-N 3.34Å; L730-A733 PolarHBondContact O-N 3.22Å; E731-A733 VanDerWaalsContact C-N 3.35Å; E731-A733 PolarHBondContact O-N 3.24Å; A733-R737 WeakPolarHBondContact O-CG 3.46Å; A733-R737 PolarHBondContact O-N 3Å |
| 734 | S | 88.3 | Confident | 89.7 | Confident | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 172.8 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | L730 E731 T732 L736 R737 S738 | L730-S734 PolarHBondContact O-N 3.16Å; E731-S734 WeakPolarHBondContact O-CB 3.35Å; E731-S734 PolarHBondContact O-N 3.28Å; E731-S734 VanDerWaalsContact O-N 3.13Å; T732-S734 VanDerWaalsContact C-N 3.3Å; T732-S734 PolarHBondContact O-N 3.21Å; S734-L736 PolarHBondContact O-N 3.49Å; S734-R737 PolarHBondContact O-N 2.9Å; S734-S738 VanDerWaalsContact O-CB 3.23Å; S734-S738 WeakPolarHBondContact O-CB 3.47Å; S734-S738 PolarHBondContact O-N 3.35Å; S734-S738 PolarHBondContact O-OG 2.96Å |
| 735 | I | 93.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 178.4 | -64.7 | 173.5 | 0 | 0 | 0 | 110.8 | L709 R711 E731 T732 R737 S738 A739 I745 | L709-I735 HydrophobicContact CB-CG1 4.16Å; L709-I735 HydrophobicContact CB-CG2 4.19Å; L709-I735 HydrophobicContact CD1-CG2 4.18Å; R711-I735 HydrophobicContact CB-CD1 3.74Å; E731-I735 WeakPolarHBondContact O-CG1 3.35Å; E731-I735 PolarHBondContact O-N 3.11Å; T732-I735 PolarHBondContact O-N 3.35Å; I735-R737 PolarHBondContact O-N 3.25Å; I735-S738 PolarHBondContact O-N 3.04Å; I735-S738 VanDerWaalsContact O-N 3.17Å; I735-A739 VanDerWaalsContact O-CB 3.26Å; I735-A739 WeakPolarHBondContact O-CB 3.26Å; I735-A739 PolarHBondContact O-N 3.35Å; I735-I745 HydrophobicContact CG2-CD1 4.16Å; I735-I745 HydrophobicContact CG2-CG1 4.27Å; I735-I745 HydrophobicContact CG2-CG2 3.73Å |
| 736 | L | 94 | Very high | 91.4 | Very high | 40 Ų | 40 | 38 Ų | 38 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -27.5 | -176.8 | -69.1 | 178.3 | 0 | 0 | 0 | 113.8 | T732 S734 I766 Y769 I770 I774 | T732-L736 HydrophobicContact CG2-CD1 4.27Å; T732-L736 HydrophobicContact CG2-CG 4.35Å; T732-L736 VanDerWaalsContact O-CG 3.28Å; T732-L736 WeakPolarHBondContact O-CG 3.3Å; T732-L736 PolarHBondContact O-N 3.38Å; S734-L736 PolarHBondContact O-N 3.49Å; L736-I766 HydrophobicContact CD1-CG1 4.48Å; L736-I766 HydrophobicContact CD2-CG2 4.32Å; L736-Y769 HydrophobicContact CD2-CD1 3.78Å; L736-Y769 HydrophobicContact CD2-CE1 4.27Å; L736-I770 HydrophobicContact CD2-CD1 4.09Å; L736-I770 HydrophobicContact CD2-CG1 3.63Å; L736-I774 HydrophobicContact CD2-CD1 4.11Å |
| 737 | R | 91.3 | Very high | 92.2 | Very high | 169 Ų | 169 | 33.2 Ų | 33.2 | 64% | 0.638 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -92.9 | -20 | 178.6 | -69.7 | -179.1 | -179.8 | -112.1 | 1.7 | 113.8 | A733 S734 I735 | A733-R737 WeakPolarHBondContact O-CG 3.46Å; A733-R737 PolarHBondContact O-N 3Å; S734-R737 PolarHBondContact O-N 2.9Å; I735-R737 PolarHBondContact O-N 3.25Å |
| 738 | S | 92.2 | Very high | 92.8 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 20% | 0.203 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -96.8 | -33.4 | -176.4 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | S185 S734 I735 | S185-S738 WeakPolarHBondContact CB-OG 3.4Å; S185-S738 PolarHBondContact OG-OG 2.75Å; S734-S738 VanDerWaalsContact O-CB 3.23Å; S734-S738 WeakPolarHBondContact O-CB 3.47Å; S734-S738 PolarHBondContact O-N 3.35Å; S734-S738 PolarHBondContact O-OG 2.96Å; I735-S738 PolarHBondContact O-N 3.04Å; I735-S738 VanDerWaalsContact O-N 3.17Å |
| 739 | A | 95.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | trans | -66.4 | 142.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L709 I735 I745 I774 | L709-A739 HydrophobicContact CD1-CB 3.73Å; I735-A739 VanDerWaalsContact O-CB 3.26Å; I735-A739 WeakPolarHBondContact O-CB 3.26Å; I735-A739 PolarHBondContact O-N 3.35Å; A739-I745 HydrophobicContact CB-CD1 3.66Å; A739-I745 HydrophobicContact CB-CG1 4.13Å; A739-I774 HydrophobicContact CB-CD1 4.18Å; A739-I774 HydrophobicContact CB-CG2 4.1Å | ||
| 740 | T | 96.5 | Very high | 92.9 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 32% | 0.319 | 16% | 0.162 | S | C | . | . | trans | -115.8 | 175.7 | 170.3 | 87.1 | 0 | 0 | 0 | 0 | 109.3 | D706 D742 S743 I774 A776 | D706-T740 PolarHBondContact OD1-OG1 3.05Å; D706-T740 WeakPolarHBondContact OD2-CG2 3.43Å; D706-T740 PolarHBondContact OD2-OG1 3.17Å; T740-D742 PolarHBondContact O-N 2.98Å; T740-D742 VanDerWaalsContact O-N 3.15Å; T740-D742 PolarHBondContact OG1-N 3.37Å; T740-D742 VanDerWaalsContact OG1-N 3.09Å; T740-S743 PolarHBondContact N-OG 2.83Å; T740-S743 WeakPolarHBondContact O-CB 3.46Å; T740-S743 PolarHBondContact O-N 3.36Å; T740-S743 PolarHBondContact O-OG 3.41Å; T740-S743 PolarHBondContact OG1-OG 3.19Å; T740-I774 WeakPolarHBondContact O-CG2 3.17Å; T740-A776 VanDerWaalsContact O-CB 3.31Å; T740-A776 WeakPolarHBondContact O-CB 3.3Å | ||
| 741 | K | 97.2 | Very high | 92.9 | Very high | 134 Ų | 134 | 28.5 Ų | 28.5 | 58% | 0.583 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.7 | 173.3 | 63.8 | 173.8 | -172.8 | 175.3 | 0 | 114.1 | I774 | K741-I774 WeakPolarHBondContact CA-O 3.46Å; K741-I774 WeakPolarHBondContact CB-O 3.21Å |
| 742 | D | 97.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.8 | -175.8 | -55.3 | -45.2 | 0 | 0 | 0 | 112 | K627 G628 V705 D706 T740 | K627-D742 HydrophobicContact CD-CB 4.35Å; K627-D742 WeakPolarHBondContact CE-OD2 3.46Å; K627-D742 HydrophobicContact CG-CB 3.96Å; K627-D742 IonicContact NZ-OD2 2.86Å; G628-D742 WeakPolarHBondContact CA-OD1 3.41Å; V705-D742 WeakPolarHBondContact CA-O 3.41Å; D706-D742 PolarHBondContact N-O 2.82Å; D706-D742 VanDerWaalsContact N-O 3.16Å; D706-D742 VanDerWaalsContact OD1-C 3.26Å; T740-D742 PolarHBondContact O-N 2.98Å; T740-D742 VanDerWaalsContact O-N 3.15Å; T740-D742 PolarHBondContact OG1-N 3.37Å; T740-D742 VanDerWaalsContact OG1-N 3.09Å |
| 743 | S | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -94.1 | 159.3 | -177.2 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | D706 C707 T740 A776 F777 | D706-S743 VanDerWaalsContact OD1-CA 3.28Å; D706-S743 WeakPolarHBondContact OD1-CA 3.37Å; D706-S743 WeakPolarHBondContact OD1-CB 3.37Å; D706-S743 PolarHBondContact OD1-N 2.94Å; D706-S743 PolarHBondContact OD1-OG 2.84Å; C707-S743 WeakPolarHBondContact O-CA 3.38Å; C707-S743 WeakPolarHBondContact SG-CB 3.31Å; C707-S743 PolarHBondContact SG-OG 2.83Å; T740-S743 PolarHBondContact N-OG 2.83Å; T740-S743 WeakPolarHBondContact O-CB 3.46Å; T740-S743 PolarHBondContact O-N 3.36Å; T740-S743 PolarHBondContact O-OG 3.41Å; T740-S743 PolarHBondContact OG1-OG 3.19Å; S743-A776 WeakPolarHBondContact O-CB 3.37Å; S743-F777 WeakPolarHBondContact O-CD2 3.48Å; S743-F777 PolarHBondContact O-N 3.47Å | ||
| 744 | L | 98.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.3 | 169.6 | 175 | 63.4 | 0 | 0 | 0 | 109.9 | V686 V705 C707 I708 L709 I746 F777 | V686-L744 HydrophobicContact CB-CD2 4.42Å; V686-L744 HydrophobicContact CG2-CD2 4.18Å; V705-L744 HydrophobicContact CG1-CB 3.84Å; C707-L744 PolarHBondContact O-N 2.96Å; I708-L744 WeakPolarHBondContact CA-O 3.4Å; I708-L744 HydrophobicContact CD1-CD2 4.45Å; I708-L744 HydrophobicContact CG1-CB 4.23Å; I708-L744 HydrophobicContact CG1-CD2 4.29Å; I708-L744 HydrophobicContact CG2-CD2 4.48Å; L709-L744 PolarHBondContact N-O 3.33Å; L744-I746 HydrophobicContact CD2-CD1 4.49Å; L744-I746 HydrophobicContact CG-CG1 4.37Å; L744-F777 CarbonylContact C-O 3.59Å; L744-F777 WeakPolarHBondContact CA-O 3.05Å; L744-F777 HydrophobicContact CB-CB 4.49Å; L744-F777 HydrophobicContact CD1-CB 3.72Å |
| 745 | I | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.8 | 179.1 | -54.3 | 174.2 | 0 | 0 | 0 | 109.2 | L709 I735 A739 I747 I770 A776 F777 C778 M779 | L709-I745 WeakPolarHBondContact O-CA 3.44Å; I735-I745 HydrophobicContact CG2-CD1 4.16Å; I735-I745 HydrophobicContact CG2-CG1 4.27Å; I735-I745 HydrophobicContact CG2-CG2 3.73Å; A739-I745 HydrophobicContact CB-CD1 3.66Å; A739-I745 HydrophobicContact CB-CG1 4.13Å; I745-I747 HydrophobicContact CG2-CD1 4.11Å; I745-I747 HydrophobicContact CG2-CG1 3.88Å; I745-I770 HydrophobicContact CD1-CD1 4.29Å; I745-I770 HydrophobicContact CD1-CG1 4.25Å; I745-I770 HydrophobicContact CD1-CG2 3.81Å; I745-I770 HydrophobicContact CG2-CD1 4.5Å; I745-A776 HydrophobicContact CD1-CB 3.93Å; I745-A776 HydrophobicContact CG1-CB 4.25Å; I745-F777 PolarHBondContact N-O 3.34Å; I745-C778 HydrophobicContact CB-CB 4.32Å; I745-C778 VanDerWaalsContact O-CA 3.31Å; I745-C778 WeakPolarHBondContact O-CA 3.43Å; I745-M779 PolarHBondContact O-N 3.2Å |
| 746 | I | 97.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.3 | 177.6 | -63.6 | 172.5 | 0 | 0 | 0 | 108.5 | L310 I679 I708 L709 A710 R711 V712 L744 | L310-I746 HydrophobicContact CD2-CD1 4.42Å; I679-I746 HydrophobicContact CB-CG2 3.91Å; I679-I746 HydrophobicContact CD1-CG2 3.69Å; I679-I746 HydrophobicContact CG1-CG2 3.73Å; I708-I746 HydrophobicContact CG2-CD1 4.13Å; L709-I746 PolarHBondContact O-N 3.34Å; A710-I746 CarbonylContact C-O 3.55Å; A710-I746 VanDerWaalsContact CA-O 3.31Å; A710-I746 WeakPolarHBondContact CA-O 3.48Å; A710-I746 HydrophobicContact CB-CB 4.38Å; R711-I746 PolarHBondContact N-O 2.89Å; V712-I746 HydrophobicContact CG2-CG2 4.21Å; L744-I746 HydrophobicContact CD2-CD1 4.49Å; L744-I746 HydrophobicContact CG-CG1 4.37Å |
| 747 | I | 95.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.7 | 179 | -55.3 | 178.2 | 0 | 0 | 0 | 109 | I745 L750 I770 M779 F780 A781 | I745-I747 HydrophobicContact CG2-CD1 4.11Å; I745-I747 HydrophobicContact CG2-CG1 3.88Å; I747-L750 HydrophobicContact CG2-CB 3.64Å; I747-L750 HydrophobicContact CG2-CD2 4.36Å; I747-I770 HydrophobicContact CD1-CD1 3.78Å; I747-M779 PolarHBondContact N-O 3.39Å; I747-F780 HydrophobicContact CB-CB 4.31Å; I747-F780 HydrophobicContact CB-CD1 3.84Å; I747-F780 HydrophobicContact CB-CE1 4.38Å; I747-F780 HydrophobicContact CB-CG 3.99Å; I747-F780 HydrophobicContact CD1-CD2 4.45Å; I747-F780 HydrophobicContact CG2-CD1 3.53Å; I747-F780 HydrophobicContact CG2-CD2 4.39Å; I747-F780 HydrophobicContact CG2-CE1 3.56Å; I747-F780 HydrophobicContact CG2-CE2 4.38Å; I747-F780 HydrophobicContact CG2-CG 4.02Å; I747-F780 HydrophobicContact CG2-CZ 4.01Å; I747-F780 CarbonylContact O-C 3.58Å; I747-F780 WeakPolarHBondContact O-CA 3.32Å; I747-A781 PolarHBondContact O-N 3.42Å |
| 748 | D | 92.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 108.8 | 177.7 | -157.1 | 6 | 0 | 0 | 0 | 109.2 | S676 I679 R711 V712 L750 A781 | S676-D748 WeakPolarHBondContact CB-OD2 3.31Å; S676-D748 PolarHBondContact OG-OD1 3.2Å; S676-D748 PolarHBondContact OG-OD2 2.96Å; I679-D748 HydrophobicContact CD1-CB 3.81Å; R711-D748 PolarHBondContact O-N 3.15Å; V712-D748 HydrophobicContact CB-CB 4.35Å; V712-D748 HydrophobicContact CG1-CB 4.24Å; V712-D748 HydrophobicContact CG2-CB 4.09Å; D748-L750 PolarHBondContact O-N 3.09Å; D748-A781 WeakPolarHBondContact OD1-CB 3.46Å |
| 749 | E | 87.4 | Confident | 90.4 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 59.6 | 44.7 | 169.5 | -56.9 | -175.5 | 149.2 | 0 | 0 | 115.4 | R752 A781 | E749-R752 IonicContact OE1-CZ 3.67Å; E749-R752 VanDerWaalsContact OE1-CZ 3.25Å; E749-R752 IonicContact OE1-NH1 3.91Å; E749-R752 PolarHBondContact OE1-NH1 3.27Å; E749-R752 IonicContact OE1-NH2 3.61Å; E749-R752 PolarHBondContact OE1-NH2 3.37Å; E749-R752 IonicContact OE2-CZ 3.41Å; E749-R752 IonicContact OE2-NE 3.32Å; E749-R752 IonicContact OE2-NH1 2.7Å; E749-R752 PolarHBondContact OE2-NH1 3.31Å; E749-R752 IonicContact OE2-NH2 3.65Å; E749-R752 PolarHBondContact OE2-NH2 2.99Å; E749-A781 PolarHBondContact N-O 2.91Å |
| 750 | L | 88.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 144.1 | 171.5 | -176.1 | 76.6 | 0 | 0 | 0 | 112.1 | R711 E728 M729 T732 I747 D748 I766 F780 F784 | R711-L750 HydrophobicContact CG-CD1 4.25Å; E728-L750 HydrophobicContact CG-CD1 3.46Å; E728-L750 VanDerWaalsContact CG-CD1 3.46Å; E728-L750 WeakPolarHBondContact OE1-CD1 3.42Å; M729-L750 HydrophobicContact CE-CD1 4.32Å; T732-L750 HydrophobicContact CG2-CD2 4.41Å; T732-L750 WeakPolarHBondContact OG1-CD1 3.41Å; I747-L750 HydrophobicContact CG2-CB 3.64Å; I747-L750 HydrophobicContact CG2-CD2 4.36Å; D748-L750 PolarHBondContact O-N 3.09Å; L750-I766 HydrophobicContact CD2-CB 4.46Å; L750-I766 HydrophobicContact CD2-CD1 3.8Å; L750-I766 HydrophobicContact CD2-CG2 4.15Å; L750-F780 HydrophobicContact CB-CE1 3.98Å; L750-F780 HydrophobicContact CB-CZ 3.72Å; L750-F780 HydrophobicContact CD2-CZ 4.3Å; L750-F784 WeakPolarHBondContact O-CE2 2.99Å |
| 751 | G | 82.6 | Confident | 89.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 11.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E728 G759 | E728-G751 WeakPolarHBondContact OE1-CA 3.33Å; E728-G751 PolarHBondContact OE1-N 3.41Å; G751-G759 WeakPolarHBondContact O-CA 3.13Å |
| 752 | R | 81.9 | Confident | 89.6 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -23.7 | -173.6 | -74.4 | -169.2 | 168.1 | -178.4 | 13.8 | 115.5 | E749 T754 H783 | E749-R752 IonicContact OE1-CZ 3.67Å; E749-R752 VanDerWaalsContact OE1-CZ 3.25Å; E749-R752 IonicContact OE1-NH1 3.91Å; E749-R752 PolarHBondContact OE1-NH1 3.27Å; E749-R752 IonicContact OE1-NH2 3.61Å; E749-R752 PolarHBondContact OE1-NH2 3.37Å; E749-R752 IonicContact OE2-CZ 3.41Å; E749-R752 IonicContact OE2-NE 3.32Å; E749-R752 IonicContact OE2-NH1 2.7Å; E749-R752 PolarHBondContact OE2-NH1 3.31Å; E749-R752 IonicContact OE2-NH2 3.65Å; E749-R752 PolarHBondContact OE2-NH2 2.99Å; R752-T754 VanDerWaalsContact C-N 3.26Å; R752-T754 PolarHBondContact O-N 3Å; R752-H783 VanDerWaalsContact CG-CE1 3.41Å; R752-H783 WeakPolarHBondContact CG-CE1 3.34Å; R752-H783 PolarHBondContact NE-CE1 2.81Å; R752-H783 VanDerWaalsContact NE-CE1 3.25Å; R752-H783 PolarHBondContact NE-ND1 3.38Å; R752-H783 VanDerWaalsContact NE-ND1 3.16Å; R752-H783 VanDerWaalsContact NH2-CG 3.34Å; R752-H783 PolarHBondContact NH2-ND1 3.38Å |
| 753 | G | 78.6 | Confident | 89.4 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 45% | 0.454 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 10.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 754 | T | 84.4 | Confident | 89.2 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -141.7 | -176.3 | -174.2 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | F725 R752 D758 | F725-T754 HydrophobicContact CD2-CG2 4.16Å; F725-T754 HydrophobicContact CE2-CG2 3.45Å; F725-T754 VanDerWaalsContact CE2-CG2 3.45Å; F725-T754 HydrophobicContact CZ-CG2 3.84Å; R752-T754 VanDerWaalsContact C-N 3.26Å; R752-T754 PolarHBondContact O-N 3Å; T754-D758 HydrophobicContact CG2-CB 4.16Å |
| 755 | S | 85 | Confident | 89.1 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | trans | -55 | 143.8 | 175.2 | 88.9 | 0 | 0 | 0 | 0 | 110.5 | Y757 D758 G759 | S755-Y757 VanDerWaalsContact C-N 3.28Å; S755-Y757 PolarHBondContact O-N 3.41Å; S755-D758 PolarHBondContact O-N 2.96Å; S755-D758 VanDerWaalsContact OG-CB 3.28Å; S755-D758 WeakPolarHBondContact OG-CB 3.46Å; S755-D758 PolarHBondContact OG-N 2.91Å; S755-D758 PolarHBondContact OG-OD2 3.02Å; S755-G759 PolarHBondContact O-N 3.33Å | ||
| 756 | T | 81.2 | Confident | 89 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 61% | 0.607 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.8 | -40.5 | -174.4 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | F760 | T756-F760 VanDerWaalsContact O-CB 3.27Å; T756-F760 WeakPolarHBondContact O-CB 3.28Å; T756-F760 PolarHBondContact O-N 2.86Å |
| 757 | Y | 85.5 | Confident | 89 | Confident | 150 Ų | 150 | 43.6 Ų | 43.6 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.2 | -40.6 | 178.7 | -66 | -62.4 | 0 | 0 | 0 | 113.1 | S755 G761 F854 | S755-Y757 VanDerWaalsContact C-N 3.28Å; S755-Y757 PolarHBondContact O-N 3.41Å; Y757-G761 PolarHBondContact O-N 3.42Å; Y757-F854 WeakPolarHBondContact OH-CE1 3.33Å |
| 758 | D | 88.6 | Confident | 89 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.7 | -63.3 | -35 | 0 | 0 | 0 | 110.7 | T754 S755 G761 L762 | T754-D758 HydrophobicContact CG2-CB 4.16Å; S755-D758 PolarHBondContact O-N 2.96Å; S755-D758 VanDerWaalsContact OG-CB 3.28Å; S755-D758 WeakPolarHBondContact OG-CB 3.46Å; S755-D758 PolarHBondContact OG-N 2.91Å; S755-D758 PolarHBondContact OG-OD2 3.02Å; D758-G761 PolarHBondContact O-N 2.97Å; D758-L762 WeakPolarHBondContact O-CB 3.39Å; D758-L762 VanDerWaalsContact O-CG 3.3Å; D758-L762 WeakPolarHBondContact O-CG 3.3Å; D758-L762 PolarHBondContact O-N 3.46Å |
| 759 | G | 88.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G751 S755 A763 | G751-G759 WeakPolarHBondContact O-CA 3.13Å; S755-G759 PolarHBondContact O-N 3.33Å; G759-A763 WeakPolarHBondContact O-CB 3.47Å; G759-A763 PolarHBondContact O-N 3.42Å |
| 760 | F | 89.5 | Confident | 89.8 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 23% | 0.232 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 172.6 | 167.4 | -107.2 | 0 | 0 | 0 | 111.9 | T756 L762 A763 W764 F784 E786 L787 | T756-F760 VanDerWaalsContact O-CB 3.27Å; T756-F760 WeakPolarHBondContact O-CB 3.28Å; T756-F760 PolarHBondContact O-N 2.86Å; F760-L762 VanDerWaalsContact C-N 3.31Å; F760-L762 PolarHBondContact O-N 3.48Å; F760-A763 PolarHBondContact O-N 2.88Å; F760-A763 VanDerWaalsContact O-N 3.16Å; F760-W764 AromaticContact CE2-CE3 3.81Å; F760-W764 HydrophobicContact CE2-CE3 3.81Å; F760-W764 HydrophobicContact CE2-CZ3 4.45Å; F760-W764 HydrophobicContact CZ-CD2 4.36Å; F760-W764 AromaticContact CZ-CE3 3.53Å; F760-W764 HydrophobicContact CZ-CE3 3.53Å; F760-W764 HydrophobicContact CZ-CZ3 4.09Å; F760-W764 WeakPolarHBondContact O-CB 3.29Å; F760-W764 PolarHBondContact O-N 3.23Å; F760-F784 HydrophobicContact CB-CD1 4.26Å; F760-F784 HydrophobicContact CB-CE1 4.29Å; F760-F784 HydrophobicContact CD2-CB 4.25Å; F760-F784 HydrophobicContact CD2-CG 4.41Å; F760-E786 HydrophobicContact CD2-CB 4Å; F760-E786 HydrophobicContact CE2-CB 3.47Å; F760-E786 VanDerWaalsContact CE2-CB 3.47Å; F760-E786 HydrophobicContact CZ-CB 3.85Å; F760-L787 HydrophobicContact CE2-CB 4.39Å |
| 761 | G | 89.5 | Confident | 90.2 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y757 D758 A765 | Y757-G761 PolarHBondContact O-N 3.42Å; D758-G761 PolarHBondContact O-N 2.97Å; G761-A765 WeakPolarHBondContact O-CB 3.46Å; G761-A765 PolarHBondContact O-N 3.46Å |
| 762 | L | 92.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 172.7 | -73.5 | 169.7 | 0 | 0 | 0 | 111.6 | F725 M729 D758 F760 W764 A765 I766 | F725-L762 HydrophobicContact CE2-CD1 4.34Å; F725-L762 HydrophobicContact CZ-CD1 3.85Å; M729-L762 HydrophobicContact CE-CD1 4.38Å; M729-L762 HydrophobicContact SD-CD1 4.02Å; D758-L762 WeakPolarHBondContact O-CB 3.39Å; D758-L762 VanDerWaalsContact O-CG 3.3Å; D758-L762 WeakPolarHBondContact O-CG 3.3Å; D758-L762 PolarHBondContact O-N 3.46Å; F760-L762 VanDerWaalsContact C-N 3.31Å; F760-L762 PolarHBondContact O-N 3.48Å; L762-W764 VanDerWaalsContact C-N 3.27Å; L762-W764 PolarHBondContact O-N 3.04Å; L762-A765 PolarHBondContact O-N 3.43Å; L762-I766 HydrophobicContact CB-CD1 4.27Å; L762-I766 VanDerWaalsContact O-CB 3.24Å; L762-I766 WeakPolarHBondContact O-CB 2.93Å; L762-I766 VanDerWaalsContact O-CD1 3.29Å; L762-I766 WeakPolarHBondContact O-CD1 3.47Å; L762-I766 WeakPolarHBondContact O-CG1 3.24Å; L762-I766 PolarHBondContact O-N 2.9Å |
| 763 | A | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G759 F760 S767 F780 F784 L787 | G759-A763 WeakPolarHBondContact O-CB 3.47Å; G759-A763 PolarHBondContact O-N 3.42Å; F760-A763 PolarHBondContact O-N 2.88Å; F760-A763 VanDerWaalsContact O-N 3.16Å; A763-S767 VanDerWaalsContact O-CB 3.25Å; A763-S767 WeakPolarHBondContact O-CB 3.14Å; A763-S767 PolarHBondContact O-N 3Å; A763-S767 PolarHBondContact O-OG 2.98Å; A763-F780 HydrophobicContact CB-CE2 4.07Å; A763-F780 HydrophobicContact CB-CZ 3.93Å; A763-F784 HydrophobicContact CB-CD2 4.19Å; A763-F784 HydrophobicContact CB-CE2 4.37Å; A763-L787 HydrophobicContact CB-CD2 4.47Å |
| 764 | W | 95.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 16% | 0.163 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -58.4 | 174.4 | -173.4 | -74.5 | 0 | 0 | 0 | 111.7 | F760 L762 I766 S767 E768 L787 A789 L790 | F760-W764 AromaticContact CE2-CE3 3.81Å; F760-W764 HydrophobicContact CE2-CE3 3.81Å; F760-W764 HydrophobicContact CE2-CZ3 4.45Å; F760-W764 HydrophobicContact CZ-CD2 4.36Å; F760-W764 AromaticContact CZ-CE3 3.53Å; F760-W764 HydrophobicContact CZ-CE3 3.53Å; F760-W764 HydrophobicContact CZ-CZ3 4.09Å; F760-W764 WeakPolarHBondContact O-CB 3.29Å; F760-W764 PolarHBondContact O-N 3.23Å; L762-W764 VanDerWaalsContact C-N 3.27Å; L762-W764 PolarHBondContact O-N 3.04Å; W764-I766 VanDerWaalsContact C-N 3.27Å; W764-I766 PolarHBondContact O-N 3.45Å; W764-S767 PolarHBondContact O-N 3.32Å; W764-S767 VanDerWaalsContact O-N 3.13Å; W764-E768 WeakPolarHBondContact O-CB 3.33Å; W764-E768 PolarHBondContact O-N 2.72Å; W764-L787 HydrophobicContact CB-CD1 4.12Å; W764-L787 HydrophobicContact CD2-CD1 4.44Å; W764-L787 HydrophobicContact CE3-CD1 3.93Å; W764-A789 HydrophobicContact CH2-CB 4.11Å; W764-A789 HydrophobicContact CZ3-CB 4.13Å; W764-L790 HydrophobicContact CD2-CD1 4.25Å; W764-L790 HydrophobicContact CE3-CB 4.37Å; W764-L790 HydrophobicContact CH2-CB 3.98Å; W764-L790 HydrophobicContact CH2-CD1 4.25Å; W764-L790 HydrophobicContact CZ2-CB 4.26Å; W764-L790 HydrophobicContact CZ2-CD1 3.66Å; W764-L790 HydrophobicContact CZ3-CB 4.03Å |
| 765 | A | 94.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G761 L762 Y769 | G761-A765 WeakPolarHBondContact O-CB 3.46Å; G761-A765 PolarHBondContact O-N 3.46Å; L762-A765 PolarHBondContact O-N 3.43Å; A765-Y769 WeakPolarHBondContact O-CB 3.4Å; A765-Y769 PolarHBondContact O-N 2.89Å |
| 766 | I | 96.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 177.5 | -68.5 | 163.8 | 0 | 0 | 0 | 110.5 | T732 L736 L750 L762 W764 Y769 I770 | T732-I766 HydrophobicContact CG2-CD1 3.85Å; T732-I766 HydrophobicContact CG2-CG1 4.42Å; T732-I766 HydrophobicContact CG2-CG2 3.94Å; L736-I766 HydrophobicContact CD1-CG1 4.48Å; L736-I766 HydrophobicContact CD2-CG2 4.32Å; L750-I766 HydrophobicContact CD2-CB 4.46Å; L750-I766 HydrophobicContact CD2-CD1 3.8Å; L750-I766 HydrophobicContact CD2-CG2 4.15Å; L762-I766 HydrophobicContact CB-CD1 4.27Å; L762-I766 VanDerWaalsContact O-CB 3.24Å; L762-I766 WeakPolarHBondContact O-CB 2.93Å; L762-I766 VanDerWaalsContact O-CD1 3.29Å; L762-I766 WeakPolarHBondContact O-CD1 3.47Å; L762-I766 WeakPolarHBondContact O-CG1 3.24Å; L762-I766 PolarHBondContact O-N 2.9Å; W764-I766 VanDerWaalsContact C-N 3.27Å; W764-I766 PolarHBondContact O-N 3.45Å; I766-Y769 PolarHBondContact O-N 2.88Å; I766-I770 HydrophobicContact CG2-CD1 3.88Å; I766-I770 VanDerWaalsContact O-CG1 3.3Å; I766-I770 WeakPolarHBondContact O-CG1 3.15Å; I766-I770 PolarHBondContact O-N 3.17Å |
| 767 | S | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | F664 A763 W764 I770 A771 F780 L790 | F664-S767 VanDerWaalsContact CZ-CB 3.45Å; F664-S767 WeakPolarHBondContact CZ-OG 3.29Å; A763-S767 VanDerWaalsContact O-CB 3.25Å; A763-S767 WeakPolarHBondContact O-CB 3.14Å; A763-S767 PolarHBondContact O-N 3Å; A763-S767 PolarHBondContact O-OG 2.98Å; W764-S767 PolarHBondContact O-N 3.32Å; W764-S767 VanDerWaalsContact O-N 3.13Å; S767-I770 PolarHBondContact O-N 2.92Å; S767-A771 WeakPolarHBondContact O-CB 3.35Å; S767-A771 PolarHBondContact O-N 2.81Å; S767-F780 VanDerWaalsContact OG-CD2 3.25Å; S767-F780 WeakPolarHBondContact OG-CD2 3.33Å; S767-F780 VanDerWaalsContact OG-CE2 3.32Å; S767-F780 WeakPolarHBondContact OG-CE2 3.45Å; S767-L790 VanDerWaalsContact CB-CD2 3.4Å |
| 768 | E | 97.3 | Very high | 95 | Very high | 79 Ų | 79 | 40.4 Ų | 40.4 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 175 | 178 | 176.7 | -179 | 0 | 0 | 111.1 | W764 I770 A771 T772 L790 I794 | W764-E768 WeakPolarHBondContact O-CB 3.33Å; W764-E768 PolarHBondContact O-N 2.72Å; E768-I770 PolarHBondContact O-N 2.81Å; E768-A771 PolarHBondContact O-N 3.34Å; E768-T772 HydrophobicContact CG-CG2 4.3Å; E768-T772 WeakPolarHBondContact O-CB 3.36Å; E768-T772 WeakPolarHBondContact O-CG2 3.32Å; E768-T772 PolarHBondContact O-N 2.71Å; E768-T772 PolarHBondContact O-OG1 3.26Å; E768-L790 HydrophobicContact CB-CD1 4.37Å; E768-I794 HydrophobicContact CB-CD1 4.29Å; E768-I794 HydrophobicContact CG-CD1 4.12Å |
| 769 | Y | 97.9 | Very high | 95.4 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -44.9 | 178.4 | -173.2 | -85.5 | 0 | 0 | 0 | 112.2 | L736 A765 I766 K773 I774 | L736-Y769 HydrophobicContact CD2-CD1 3.78Å; L736-Y769 HydrophobicContact CD2-CE1 4.27Å; A765-Y769 WeakPolarHBondContact O-CB 3.4Å; A765-Y769 PolarHBondContact O-N 2.89Å; I766-Y769 PolarHBondContact O-N 2.88Å; Y769-K773 HydrophobicContact CD1-CB 4.31Å; Y769-K773 HydrophobicContact CD2-CB 4.17Å; Y769-K773 HydrophobicContact CE1-CB 4.22Å; Y769-K773 HydrophobicContact CE1-CG 4.13Å; Y769-K773 HydrophobicContact CE2-CB 4.07Å; Y769-K773 HydrophobicContact CE2-CG 3.91Å; Y769-K773 HydrophobicContact CG-CB 4.3Å; Y769-K773 WeakPolarHBondContact O-CA 3.1Å; Y769-K773 VanDerWaalsContact O-CB 3.27Å; Y769-K773 WeakPolarHBondContact O-CB 3.43Å; Y769-K773 PolarHBondContact O-N 2.89Å; Y769-I774 HydrophobicContact CD1-CD1 4.02Å; Y769-I774 HydrophobicContact CD1-CG1 4.03Å; Y769-I774 HydrophobicContact CE1-CD1 3.9Å; Y769-I774 HydrophobicContact CE1-CG1 3.83Å; Y769-I774 PolarHBondContact O-N 2.86Å |
| 770 | I | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -62.7 | -48.1 | 177.9 | -68.9 | 166.3 | 0 | 0 | 0 | 110.3 | F664 L736 I745 I747 I766 S767 E768 I774 G775 C778 | F664-I770 HydrophobicContact CD2-CB 4.39Å; F664-I770 HydrophobicContact CD2-CG2 3.93Å; F664-I770 HydrophobicContact CE2-CB 3.97Å; F664-I770 HydrophobicContact CE2-CG2 3.83Å; L736-I770 HydrophobicContact CD2-CD1 4.09Å; L736-I770 HydrophobicContact CD2-CG1 3.63Å; I745-I770 HydrophobicContact CD1-CD1 4.29Å; I745-I770 HydrophobicContact CD1-CG1 4.25Å; I745-I770 HydrophobicContact CD1-CG2 3.81Å; I745-I770 HydrophobicContact CG2-CD1 4.5Å; I747-I770 HydrophobicContact CD1-CD1 3.78Å; I766-I770 HydrophobicContact CG2-CD1 3.88Å; I766-I770 VanDerWaalsContact O-CG1 3.3Å; I766-I770 WeakPolarHBondContact O-CG1 3.15Å; I766-I770 PolarHBondContact O-N 3.17Å; S767-I770 PolarHBondContact O-N 2.92Å; E768-I770 PolarHBondContact O-N 2.81Å; I770-I774 HydrophobicContact CG1-CD1 4.19Å; I770-I774 WeakPolarHBondContact O-CB 3.33Å; I770-I774 PolarHBondContact O-N 2.8Å; I770-G775 PolarHBondContact O-N 2.98Å; I770-C778 HydrophobicContact CG2-CB 3.93Å |
| 771 | A | 96.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -70.2 | -32.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F664 S767 E768 I794 V797 | F664-A771 HydrophobicContact CB-CB 4.25Å; F664-A771 HydrophobicContact CD2-CB 3.99Å; F664-A771 HydrophobicContact CG-CB 4.26Å; S767-A771 WeakPolarHBondContact O-CB 3.35Å; S767-A771 PolarHBondContact O-N 2.81Å; E768-A771 PolarHBondContact O-N 3.34Å; A771-I794 HydrophobicContact CB-CD1 4.09Å; A771-I794 HydrophobicContact CB-CG2 4.17Å; A771-V797 HydrophobicContact CB-CG2 3.8Å |
| 772 | T | 95.1 | Very high | 96.2 | Very high | 86 Ų | 86 | 31.6 Ų | 31.6 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -97.2 | -49 | -175.9 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | E768 I794 | E768-T772 HydrophobicContact CG-CG2 4.3Å; E768-T772 WeakPolarHBondContact O-CB 3.36Å; E768-T772 WeakPolarHBondContact O-CG2 3.32Å; E768-T772 PolarHBondContact O-N 2.71Å; E768-T772 PolarHBondContact O-OG1 3.26Å; T772-I794 HydrophobicContact CG2-CD1 3.84Å; T772-I794 HydrophobicContact CG2-CG1 4.28Å |
| 773 | K | 96.8 | Very high | 95.9 | Very high | 150 Ų | 150 | 32.6 Ų | 32.6 | 65% | 0.652 | 17% | 0.17 | S | C | * | . | I | π-helix | trans | -86.2 | -42.3 | -172.5 | -179.2 | 59.6 | 179.8 | -179 | 0 | 112.2 | Y769 | Y769-K773 HydrophobicContact CD1-CB 4.31Å; Y769-K773 HydrophobicContact CD2-CB 4.17Å; Y769-K773 HydrophobicContact CE1-CB 4.22Å; Y769-K773 HydrophobicContact CE1-CG 4.13Å; Y769-K773 HydrophobicContact CE2-CB 4.07Å; Y769-K773 HydrophobicContact CE2-CG 3.91Å; Y769-K773 HydrophobicContact CG-CB 4.3Å; Y769-K773 WeakPolarHBondContact O-CA 3.1Å; Y769-K773 VanDerWaalsContact O-CB 3.27Å; Y769-K773 WeakPolarHBondContact O-CB 3.43Å; Y769-K773 PolarHBondContact O-N 2.89Å |
| 774 | I | 96.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.108 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -87.9 | -51.2 | -177 | -50.4 | -176.7 | 0 | 0 | 0 | 110.2 | L736 A739 T740 K741 Y769 I770 A776 | L736-I774 HydrophobicContact CD2-CD1 4.11Å; A739-I774 HydrophobicContact CB-CD1 4.18Å; A739-I774 HydrophobicContact CB-CG2 4.1Å; T740-I774 WeakPolarHBondContact O-CG2 3.17Å; K741-I774 WeakPolarHBondContact CA-O 3.46Å; K741-I774 WeakPolarHBondContact CB-O 3.21Å; Y769-I774 HydrophobicContact CD1-CD1 4.02Å; Y769-I774 HydrophobicContact CD1-CG1 4.03Å; Y769-I774 HydrophobicContact CE1-CD1 3.9Å; Y769-I774 HydrophobicContact CE1-CG1 3.83Å; Y769-I774 PolarHBondContact O-N 2.86Å; I770-I774 HydrophobicContact CG1-CD1 4.19Å; I770-I774 WeakPolarHBondContact O-CB 3.33Å; I770-I774 PolarHBondContact O-N 2.8Å; I774-A776 VanDerWaalsContact C-N 3.35Å; I774-A776 HydrophobicContact CG2-CB 3.88Å |
| 775 | G | 96.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | trans | 71.4 | 26.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M663 I770 | M663-G775 WeakPolarHBondContact CE-O 3.43Å; I770-G775 PolarHBondContact O-N 2.98Å | ||
| 776 | A | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | trans | -75.7 | 165.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T740 S743 I745 I774 C778 | T740-A776 VanDerWaalsContact O-CB 3.31Å; T740-A776 WeakPolarHBondContact O-CB 3.3Å; S743-A776 WeakPolarHBondContact O-CB 3.37Å; I745-A776 HydrophobicContact CD1-CB 3.93Å; I745-A776 HydrophobicContact CG1-CB 4.25Å; I774-A776 VanDerWaalsContact C-N 3.35Å; I774-A776 HydrophobicContact CG2-CB 3.88Å; A776-C778 PolarHBondContact O-N 2.75Å | ||
| 777 | F | 98.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.4 | 163.2 | -54 | -72.6 | 0 | 0 | 0 | 108.6 | G630 I632 F657 M663 V705 S743 L744 I745 | G630-F777 VanDerWaalsContact CA-CZ 3.49Å; I632-F777 HydrophobicContact CD1-CD1 4.12Å; I632-F777 HydrophobicContact CD1-CD2 3.83Å; I632-F777 HydrophobicContact CD1-CE1 4.11Å; I632-F777 HydrophobicContact CD1-CE2 3.83Å; I632-F777 HydrophobicContact CD1-CG 3.95Å; I632-F777 HydrophobicContact CD1-CZ 3.93Å; I632-F777 HydrophobicContact CG1-CE1 4.1Å; I632-F777 HydrophobicContact CG1-CE2 4.3Å; I632-F777 HydrophobicContact CG1-CZ 3.94Å; F657-F777 HydrophobicContact CB-CD1 3.58Å; F657-F777 HydrophobicContact CB-CE1 3.73Å; F657-F777 HydrophobicContact CD1-CB 4.21Å; F657-F777 AromaticContact CD1-CD1 3.72Å; F657-F777 HydrophobicContact CD1-CD1 3.72Å; F657-F777 HydrophobicContact CD1-CG 4.45Å; F657-F777 HydrophobicContact CD2-CD1 4.35Å; F657-F777 HydrophobicContact CE1-CB 4.07Å; F657-F777 HydrophobicContact CE1-CD1 4.42Å; F657-F777 AromaticContact CG-CD1 3.64Å; F657-F777 HydrophobicContact CG-CD1 3.64Å; F657-F777 HydrophobicContact CG-CE1 4.3Å; F657-F777 HydrophobicContact CG-CG 4.46Å; F657-F777 HydrophobicContact CZ-CB 4.24Å; M663-F777 HydrophobicContact CE-CD1 3.48Å; M663-F777 VanDerWaalsContact CE-CD1 3.48Å; M663-F777 HydrophobicContact CE-CE1 3.65Å; M663-F777 HydrophobicContact CE-CG 4.09Å; M663-F777 HydrophobicContact CE-CZ 4.36Å; M663-F777 CarbonylContact O-C 3.6Å; M663-F777 WeakPolarHBondContact O-CA 2.9Å; M663-F777 HydrophobicContact SD-CD1 3.85Å; M663-F777 HydrophobicContact SD-CE1 3.86Å; V705-F777 HydrophobicContact CG2-CD2 4.33Å; V705-F777 HydrophobicContact CG2-CE2 4.27Å; S743-F777 WeakPolarHBondContact O-CD2 3.48Å; S743-F777 PolarHBondContact O-N 3.47Å; L744-F777 CarbonylContact C-O 3.59Å; L744-F777 WeakPolarHBondContact CA-O 3.05Å; L744-F777 HydrophobicContact CB-CB 4.49Å; L744-F777 HydrophobicContact CD1-CB 3.72Å; I745-F777 PolarHBondContact N-O 3.34Å |
| 778 | C | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136.2 | -178.7 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | M663 F664 H665 I745 I770 A776 | M663-C778 PolarHBondContact O-N 3.11Å; F664-C778 WeakPolarHBondContact CA-O 3.25Å; F664-C778 HydrophobicContact CD2-CB 3.44Å; F664-C778 VanDerWaalsContact CD2-CB 3.44Å; F664-C778 HydrophobicContact CE2-CB 3.75Å; F664-C778 WeakPolarHBondContact CE2-SG 3.37Å; F664-C778 HydrophobicContact CG-CB 4.12Å; H665-C778 PolarHBondContact N-O 2.97Å; I745-C778 HydrophobicContact CB-CB 4.32Å; I745-C778 VanDerWaalsContact O-CA 3.31Å; I745-C778 WeakPolarHBondContact O-CA 3.43Å; I770-C778 HydrophobicContact CG2-CB 3.93Å; A776-C778 PolarHBondContact O-N 2.75Å |
| 779 | M | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.6 | 168.7 | -56.6 | -179.3 | 90.7 | 0 | 0 | 109 | F657 I667 Y678 I679 T682 I745 I747 | F657-M779 HydrophobicContact CE2-CG 4.18Å; F657-M779 HydrophobicContact CE2-SD 4.34Å; F657-M779 HydrophobicContact CZ-CG 3.62Å; F657-M779 HydrophobicContact CZ-SD 4.37Å; I667-M779 HydrophobicContact CD1-CB 4Å; I667-M779 HydrophobicContact CD1-CE 3.88Å; Y678-M779 HydrophobicContact CD1-CE 3.57Å; Y678-M779 HydrophobicContact CE1-CE 3.19Å; I679-M779 HydrophobicContact CB-CB 4.2Å; I679-M779 HydrophobicContact CB-SD 4.25Å; I679-M779 HydrophobicContact CG2-CB 3.66Å; I679-M779 HydrophobicContact CG2-CE 4.16Å; I679-M779 HydrophobicContact CG2-CG 4.49Å; I679-M779 HydrophobicContact CG2-SD 4.16Å; T682-M779 HydrophobicContact CG2-SD 3.75Å; T682-M779 PolarHBondContact OG1-SD 3.39Å; T682-M779 VanDerWaalsContact OG1-SD 3.33Å; I745-M779 PolarHBondContact O-N 3.2Å; I747-M779 PolarHBondContact N-O 3.39Å |
| 780 | F | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 100.7 | 179.3 | -168.4 | -10.4 | 0 | 0 | 0 | 110 | F664 H665 I667 I747 L750 A763 S767 T782 L787 | F664-F780 HydrophobicContact CE1-CB 4.05Å; F664-F780 HydrophobicContact CE1-CD2 4.44Å; F664-F780 HydrophobicContact CZ-CB 4.05Å; F664-F780 HydrophobicContact CZ-CD2 4.03Å; H665-F780 PolarHBondContact O-N 3.05Å; I667-F780 PolarHBondContact N-O 3.43Å; I747-F780 HydrophobicContact CB-CB 4.31Å; I747-F780 HydrophobicContact CB-CD1 3.84Å; I747-F780 HydrophobicContact CB-CE1 4.38Å; I747-F780 HydrophobicContact CB-CG 3.99Å; I747-F780 HydrophobicContact CD1-CD2 4.45Å; I747-F780 HydrophobicContact CG2-CD1 3.53Å; I747-F780 HydrophobicContact CG2-CD2 4.39Å; I747-F780 HydrophobicContact CG2-CE1 3.56Å; I747-F780 HydrophobicContact CG2-CE2 4.38Å; I747-F780 HydrophobicContact CG2-CG 4.02Å; I747-F780 HydrophobicContact CG2-CZ 4.01Å; I747-F780 CarbonylContact O-C 3.58Å; I747-F780 WeakPolarHBondContact O-CA 3.32Å; L750-F780 HydrophobicContact CB-CE1 3.98Å; L750-F780 HydrophobicContact CB-CZ 3.72Å; L750-F780 HydrophobicContact CD2-CZ 4.3Å; A763-F780 HydrophobicContact CB-CE2 4.07Å; A763-F780 HydrophobicContact CB-CZ 3.93Å; S767-F780 VanDerWaalsContact OG-CD2 3.25Å; S767-F780 WeakPolarHBondContact OG-CD2 3.33Å; S767-F780 VanDerWaalsContact OG-CE2 3.32Å; S767-F780 WeakPolarHBondContact OG-CE2 3.45Å; F780-T782 PolarHBondContact O-N 3.28Å; F780-L787 HydrophobicContact CD2-CD2 3.92Å; F780-L787 HydrophobicContact CE2-CD2 3.69Å; F780-L787 HydrophobicContact CZ-CD2 4.15Å |
| 781 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I667 K675 I679 I747 D748 E749 | I667-A781 WeakPolarHBondContact O-CA 3.49Å; K675-A781 HydrophobicContact CB-CB 4Å; I679-A781 HydrophobicContact CD1-CB 3.97Å; I747-A781 PolarHBondContact O-N 3.42Å; D748-A781 WeakPolarHBondContact OD1-CB 3.46Å; E749-A781 PolarHBondContact N-O 2.91Å |
| 782 | T | 91.6 | Very high | 93 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -136 | 161.5 | -176.6 | -168 | 0 | 0 | 0 | 0 | 112.4 | I666 I667 T668 F780 F784 L787 | I666-T782 HydrophobicContact CG2-CG2 3.85Å; I667-T782 PolarHBondContact O-N 2.88Å; T668-T782 HydrophobicContact CG2-CG2 4.04Å; F780-T782 PolarHBondContact O-N 3.28Å; T782-F784 WeakPolarHBondContact CG2-O 3.14Å; T782-F784 PolarHBondContact OG1-N 3.49Å; T782-F784 VanDerWaalsContact OG1-N 3.08Å; T782-L787 HydrophobicContact CG2-CB 4.5Å; T782-L787 HydrophobicContact CG2-CD2 4.06Å | ||
| 783 | H | 86.8 | Confident | 92.8 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -105.4 | -11.3 | 168.8 | 64.6 | -60.9 | 0 | 0 | 0 | 112.1 | R752 H785 | R752-H783 VanDerWaalsContact CG-CE1 3.41Å; R752-H783 WeakPolarHBondContact CG-CE1 3.34Å; R752-H783 PolarHBondContact NE-CE1 2.81Å; R752-H783 VanDerWaalsContact NE-CE1 3.25Å; R752-H783 PolarHBondContact NE-ND1 3.38Å; R752-H783 VanDerWaalsContact NE-ND1 3.16Å; R752-H783 VanDerWaalsContact NH2-CG 3.34Å; R752-H783 PolarHBondContact NH2-ND1 3.38Å; H783-H785 PolarHBondContact O-N 2.98Å |
| 784 | F | 87.8 | Confident | 92.7 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | trans | -75.2 | 102.2 | 174.1 | -62.3 | -57.6 | 0 | 0 | 0 | 109 | L750 F760 A763 T782 E786 L787 | L750-F784 WeakPolarHBondContact O-CE2 2.99Å; F760-F784 HydrophobicContact CB-CD1 4.26Å; F760-F784 HydrophobicContact CB-CE1 4.29Å; F760-F784 HydrophobicContact CD2-CB 4.25Å; F760-F784 HydrophobicContact CD2-CG 4.41Å; A763-F784 HydrophobicContact CB-CD2 4.19Å; A763-F784 HydrophobicContact CB-CE2 4.37Å; T782-F784 WeakPolarHBondContact CG2-O 3.14Å; T782-F784 PolarHBondContact OG1-N 3.49Å; T782-F784 VanDerWaalsContact OG1-N 3.08Å; F784-E786 WeakPolarHBondContact CA-OE2 3.37Å; F784-E786 PolarHBondContact O-N 3.05Å; F784-L787 HydrophobicContact CB-CB 4.16Å; F784-L787 WeakPolarHBondContact O-CB 3.44Å; F784-L787 PolarHBondContact O-N 3.46Å | ||
| 785 | H | 85.2 | Confident | 92.5 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -67.2 | -32.7 | 176.5 | -176 | 94.9 | 0 | 0 | 0 | 110.8 | H783 L787 T788 V821 C822 | H783-H785 PolarHBondContact O-N 2.98Å; H785-L787 PolarHBondContact O-N 2.89Å; H785-L787 VanDerWaalsContact O-N 3.16Å; H785-T788 VanDerWaalsContact O-CB 3.29Å; H785-T788 WeakPolarHBondContact O-CB 3.27Å; H785-T788 VanDerWaalsContact O-CG2 3.24Å; H785-T788 WeakPolarHBondContact O-CG2 3.36Å; H785-T788 PolarHBondContact O-N 3.26Å; H785-T788 PolarHBondContact O-OG1 3.34Å; H785-V821 WeakPolarHBondContact CE1-CG1 3.49Å; H785-C822 PolarHBondContact CE1-O 3.34Å; H785-C822 VanDerWaalsContact CE1-O 3.3Å |
| 786 | E | 85.6 | Confident | 92.5 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 35% | 0.346 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -57.9 | -29.3 | 177.3 | -53.5 | 88.7 | 161.3 | 0 | 0 | 111.9 | F760 F784 T788 A789 | F760-E786 HydrophobicContact CD2-CB 4Å; F760-E786 HydrophobicContact CE2-CB 3.47Å; F760-E786 VanDerWaalsContact CE2-CB 3.47Å; F760-E786 HydrophobicContact CZ-CB 3.85Å; F784-E786 WeakPolarHBondContact CA-OE2 3.37Å; F784-E786 PolarHBondContact O-N 3.05Å; E786-T788 PolarHBondContact O-N 2.86Å; E786-A789 WeakPolarHBondContact O-CB 3.44Å; E786-A789 PolarHBondContact O-N 2.87Å |
| 787 | L | 90.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -64.9 | -24.6 | 178.9 | -169.5 | 62.9 | 0 | 0 | 0 | 112 | I666 F760 A763 W764 F780 T782 F784 H785 A789 L790 | I666-L787 HydrophobicContact CD1-CG 4.1Å; I666-L787 VanDerWaalsContact CD1-O 3.29Å; I666-L787 WeakPolarHBondContact CD1-O 3.45Å; I666-L787 HydrophobicContact CG2-CD2 4.49Å; F760-L787 HydrophobicContact CE2-CB 4.39Å; A763-L787 HydrophobicContact CB-CD2 4.47Å; W764-L787 HydrophobicContact CB-CD1 4.12Å; W764-L787 HydrophobicContact CD2-CD1 4.44Å; W764-L787 HydrophobicContact CE3-CD1 3.93Å; F780-L787 HydrophobicContact CD2-CD2 3.92Å; F780-L787 HydrophobicContact CE2-CD2 3.69Å; F780-L787 HydrophobicContact CZ-CD2 4.15Å; T782-L787 HydrophobicContact CG2-CB 4.5Å; T782-L787 HydrophobicContact CG2-CD2 4.06Å; F784-L787 HydrophobicContact CB-CB 4.16Å; F784-L787 WeakPolarHBondContact O-CB 3.44Å; F784-L787 PolarHBondContact O-N 3.46Å; H785-L787 PolarHBondContact O-N 2.89Å; H785-L787 VanDerWaalsContact O-N 3.16Å; L787-A789 PolarHBondContact O-N 2.95Å; L787-A789 VanDerWaalsContact O-N 3.16Å; L787-L790 HydrophobicContact CD1-CD2 4.41Å; L787-L790 WeakPolarHBondContact O-CB 3.41Å; L787-L790 PolarHBondContact O-N 2.9Å |
| 788 | T | 91.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63 | -22.4 | -179.9 | 66 | 0 | 0 | 0 | 0 | 113 | I666 T668 H785 E786 L790 A791 N799 V821 | I666-T788 HydrophobicContact CG2-CG2 4.14Å; T668-T788 HydrophobicContact CG2-CG2 3.68Å; H785-T788 VanDerWaalsContact O-CB 3.29Å; H785-T788 WeakPolarHBondContact O-CB 3.27Å; H785-T788 VanDerWaalsContact O-CG2 3.24Å; H785-T788 WeakPolarHBondContact O-CG2 3.36Å; H785-T788 PolarHBondContact O-N 3.26Å; H785-T788 PolarHBondContact O-OG1 3.34Å; E786-T788 PolarHBondContact O-N 2.86Å; T788-L790 PolarHBondContact O-N 3.11Å; T788-A791 WeakPolarHBondContact O-CB 3.27Å; T788-A791 PolarHBondContact O-N 3.49Å; T788-N799 WeakPolarHBondContact CA-OD1 3.44Å; T788-N799 WeakPolarHBondContact CB-OD1 3.49Å; T788-N799 PolarHBondContact O-ND2 3.4Å; T788-V821 HydrophobicContact CG2-CG1 3.84Å; T788-V821 HydrophobicContact CG2-CG2 3.86Å |
| 789 | A | 89.6 | Confident | 92.4 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -64.8 | -19.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | W764 E786 L787 A791 N792 | W764-A789 HydrophobicContact CH2-CB 4.11Å; W764-A789 HydrophobicContact CZ3-CB 4.13Å; E786-A789 WeakPolarHBondContact O-CB 3.44Å; E786-A789 PolarHBondContact O-N 2.87Å; L787-A789 PolarHBondContact O-N 2.95Å; L787-A789 VanDerWaalsContact O-N 3.16Å; A789-A791 PolarHBondContact O-N 3.46Å; A789-N792 WeakPolarHBondContact O-CB 3.47Å; A789-N792 PolarHBondContact O-N 3.46Å |
| 790 | L | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -61 | -29.8 | 175.9 | -174.7 | 64.8 | 0 | 0 | 0 | 112.2 | I666 W764 S767 E768 L787 T788 N792 Q793 I794 V797 | I666-L790 HydrophobicContact CD1-CB 4.09Å; I666-L790 HydrophobicContact CD1-CD2 4.42Å; W764-L790 HydrophobicContact CD2-CD1 4.25Å; W764-L790 HydrophobicContact CE3-CB 4.37Å; W764-L790 HydrophobicContact CH2-CB 3.98Å; W764-L790 HydrophobicContact CH2-CD1 4.25Å; W764-L790 HydrophobicContact CZ2-CB 4.26Å; W764-L790 HydrophobicContact CZ2-CD1 3.66Å; W764-L790 HydrophobicContact CZ3-CB 4.03Å; S767-L790 VanDerWaalsContact CB-CD2 3.4Å; E768-L790 HydrophobicContact CB-CD1 4.37Å; L787-L790 HydrophobicContact CD1-CD2 4.41Å; L787-L790 WeakPolarHBondContact O-CB 3.41Å; L787-L790 PolarHBondContact O-N 2.9Å; T788-L790 PolarHBondContact O-N 3.11Å; L790-N792 PolarHBondContact O-N 2.9Å; L790-N792 VanDerWaalsContact O-N 3.17Å; L790-Q793 PolarHBondContact O-N 3.15Å; L790-I794 HydrophobicContact CD1-CD1 3.72Å; L790-I794 HydrophobicContact CD1-CG1 4.31Å; L790-I794 HydrophobicContact CD2-CD1 4.49Å; L790-I794 HydrophobicContact CG-CD1 4.1Å; L790-I794 PolarHBondContact O-N 3.36Å; L790-I794 VanDerWaalsContact O-N 3.16Å; L790-V797 HydrophobicContact CG-CG1 4.43Å; L790-V797 HydrophobicContact CG-CG2 4.48Å |
| 791 | A | 92.7 | Very high | 92.1 | Very high | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -61 | -22.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T788 A789 V797 N799 | T788-A791 WeakPolarHBondContact O-CB 3.27Å; T788-A791 PolarHBondContact O-N 3.49Å; A789-A791 PolarHBondContact O-N 3.46Å; A791-V797 HydrophobicContact CB-CG1 4.03Å; A791-N799 WeakPolarHBondContact CB-ND2 3.25Å |
| 792 | N | 89.2 | Confident | 92 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 67% | 0.668 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -79.5 | -21.4 | 176.7 | -59.6 | -33.1 | 0 | 0 | 0 | 112.5 | A789 L790 | A789-N792 WeakPolarHBondContact O-CB 3.47Å; A789-N792 PolarHBondContact O-N 3.46Å; L790-N792 PolarHBondContact O-N 2.9Å; L790-N792 VanDerWaalsContact O-N 3.17Å |
| 793 | Q | 90.9 | Very high | 91.8 | Very high | 122 Ų | 122 | 37.8 Ų | 37.8 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -36.8 | -178.7 | -66.7 | -172.2 | -2.8 | 0 | 0 | 112.5 | L790 | L790-Q793 PolarHBondContact O-N 3.15Š|
| 794 | I | 94.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | trans | -117.7 | 112.5 | -173.2 | -54.1 | 171.6 | 0 | 0 | 0 | 109.3 | E768 A771 T772 L790 T796 V797 | E768-I794 HydrophobicContact CB-CD1 4.29Å; E768-I794 HydrophobicContact CG-CD1 4.12Å; A771-I794 HydrophobicContact CB-CD1 4.09Å; A771-I794 HydrophobicContact CB-CG2 4.17Å; T772-I794 HydrophobicContact CG2-CD1 3.84Å; T772-I794 HydrophobicContact CG2-CG1 4.28Å; L790-I794 HydrophobicContact CD1-CD1 3.72Å; L790-I794 HydrophobicContact CD1-CG1 4.31Å; L790-I794 HydrophobicContact CD2-CD1 4.49Å; L790-I794 HydrophobicContact CG-CD1 4.1Å; L790-I794 PolarHBondContact O-N 3.36Å; L790-I794 VanDerWaalsContact O-N 3.16Å; I794-T796 WeakPolarHBondContact CG2-OG1 3.43Å; I794-T796 PolarHBondContact O-N 3.16Å; I794-T796 VanDerWaalsContact O-N 3.09Å; I794-V797 HydrophobicContact CB-CB 4.25Å; I794-V797 HydrophobicContact CB-CG2 3.66Å; I794-V797 HydrophobicContact CD1-CG2 4.18Å; I794-V797 HydrophobicContact CG1-CG2 4.5Å; I794-V797 HydrophobicContact CG2-CG2 3.78Å; I794-V797 WeakPolarHBondContact O-CB 3.46Å; I794-V797 PolarHBondContact O-N 2.9Å | ||
| 795 | P | 94 | Very high | 91.6 | Very high | 116 Ų | 116 | 38.3 Ų | 38.3 | 75% | 0.753 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.4 | -174.5 | -27.5 | 34.9 | 0 | 0 | 0 | 115.3 | V797 | P795-V797 VanDerWaalsContact C-N 3.3Š|
| 796 | T | 96.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.1 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | K661 M663 F664 I794 | K661-T796 WeakPolarHBondContact O-CA 3.46Å; M663-T796 PolarHBondContact N-O 2.85Å; F664-T796 PolarHBondContact N-O 2.88Å; F664-T796 VanDerWaalsContact N-O 3.12Å; I794-T796 WeakPolarHBondContact CG2-OG1 3.43Å; I794-T796 PolarHBondContact O-N 3.16Å; I794-T796 VanDerWaalsContact O-N 3.09Å |
| 797 | V | 97.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.9 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | F664 I666 A771 L790 A791 I794 P795 | F664-V797 HydrophobicContact CB-CB 4.48Å; F664-V797 HydrophobicContact CB-CG2 3.9Å; F664-V797 HydrophobicContact CD1-CG1 4.08Å; F664-V797 HydrophobicContact CD1-CG2 4.19Å; F664-V797 HydrophobicContact CG-CG2 4.14Å; F664-V797 CarbonylContact O-C 3.53Å; F664-V797 WeakPolarHBondContact O-CA 3.49Å; I666-V797 HydrophobicContact CD1-CG1 3.56Å; I666-V797 HydrophobicContact CG1-CG1 4.08Å; A771-V797 HydrophobicContact CB-CG2 3.8Å; L790-V797 HydrophobicContact CG-CG1 4.43Å; L790-V797 HydrophobicContact CG-CG2 4.48Å; A791-V797 HydrophobicContact CB-CG1 4.03Å; I794-V797 HydrophobicContact CB-CB 4.25Å; I794-V797 HydrophobicContact CB-CG2 3.66Å; I794-V797 HydrophobicContact CD1-CG2 4.18Å; I794-V797 HydrophobicContact CG1-CG2 4.5Å; I794-V797 HydrophobicContact CG2-CG2 3.78Å; I794-V797 WeakPolarHBondContact O-CB 3.46Å; I794-V797 PolarHBondContact O-N 2.9Å; P795-V797 VanDerWaalsContact C-N 3.3Å |
| 798 | N | 96.9 | Very high | 90 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.7 | 180 | -173.8 | -111.9 | 0 | 0 | 0 | 111.8 | Q662 F664 H665 I666 | Q662-N798 HydrophobicContact CG-CB 4.34Å; F664-N798 PolarHBondContact O-N 2.93Å; H665-N798 CarbonylContact C-O 3.56Å; H665-N798 WeakPolarHBondContact CA-O 3.2Å; I666-N798 PolarHBondContact N-O 3.21Å |
| 799 | N | 96.8 | Very high | 89.3 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.6 | 175.5 | -70.1 | -46.5 | 0 | 0 | 0 | 110.9 | I666 T788 A791 G820 V821 | I666-N799 WeakPolarHBondContact CB-OD1 3.48Å; T788-N799 WeakPolarHBondContact CA-OD1 3.44Å; T788-N799 WeakPolarHBondContact CB-OD1 3.49Å; T788-N799 PolarHBondContact O-ND2 3.4Å; A791-N799 WeakPolarHBondContact CB-ND2 3.25Å; N799-G820 CarbonylContact C-O 3.55Å; N799-G820 PolarHBondContact O-N 3.3Å; N799-V821 HydrophobicContact CB-CG2 3.74Å |
| 800 | L | 96.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.6 | 169.4 | -61.4 | 178.3 | 0 | 0 | 0 | 108.9 | H665 I666 I667 T668 Y678 V817 K818 K819 G820 | H665-L800 HydrophobicContact CB-CD1 4.06Å; I666-L800 PolarHBondContact O-N 3.43Å; I666-L800 VanDerWaalsContact O-O 3.1Å; I667-L800 WeakPolarHBondContact CA-O 3.35Å; I667-L800 HydrophobicContact CG1-CB 4.11Å; I667-L800 HydrophobicContact CG1-CD1 4.41Å; T668-L800 PolarHBondContact N-O 3.06Å; T668-L800 PolarHBondContact OG1-O 3.38Å; Y678-L800 HydrophobicContact CE1-CD1 4.18Å; L800-V817 HydrophobicContact CB-CG1 3.98Å; L800-V817 HydrophobicContact CD1-CG1 4.2Å; L800-V817 HydrophobicContact CD2-CG1 4.46Å; L800-V817 HydrophobicContact CG-CG1 4.45Å; L800-K818 WeakPolarHBondContact CA-O 3.34Å; L800-K819 HydrophobicContact CD2-CG 4.02Å; L800-G820 CarbonylContact C-O 3.57Å |
| 801 | H | 93.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151 | 170.6 | 68.1 | -80.6 | 0 | 0 | 0 | 112.5 | T668 V817 K818 K819 G820 C822 | T668-H801 CarbonylContact O-C 3.58Å; T668-H801 WeakPolarHBondContact O-CA 3.01Å; T668-H801 WeakPolarHBondContact O-CB 3.46Å; H801-V817 CarbonylContact O-C 3.56Å; H801-V817 WeakPolarHBondContact O-CA 3.48Å; H801-K818 PolarHBondContact N-O 2.87Å; H801-K818 PolarHBondContact ND1-O 3.23Å; H801-K818 PolarHBondContact O-N 2.6Å; H801-K819 PolarHBondContact CE1-O 2.97Å; H801-G820 PolarHBondContact ND1-O 3.31Å; H801-C822 HydrophobicContact CB-CB 4.02Å |
| 802 | V | 92.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.3 | 169.2 | -69 | 0 | 0 | 0 | 0 | 110.2 | T668 G673 K675 V817 | T668-V802 PolarHBondContact O-N 3.19Å; G673-V802 WeakPolarHBondContact O-CB 3.47Å; G673-V802 WeakPolarHBondContact O-CG1 3.27Å; K675-V802 HydrophobicContact CD-CG2 4.29Å; K675-V802 HydrophobicContact CG-CG1 4.17Å; K675-V802 HydrophobicContact CG-CG2 3.59Å; V802-V817 HydrophobicContact CG1-CG2 3.95Å |
| 803 | T | 87.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 145 | -175.6 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | L814 Q816 K818 | T803-L814 PolarHBondContact O-N 3.3Å; T803-L814 VanDerWaalsContact O-N 3.13Å; T803-Q816 PolarHBondContact N-O 3.29Å; T803-Q816 PolarHBondContact OG1-O 3.18Å; T803-K818 HydrophobicContact CG2-CB 4.28Å; T803-K818 HydrophobicContact CG2-CD 3.7Å; T803-K818 HydrophobicContact CG2-CG 3.86Å |
| 804 | A | 85.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P670 L811 T812 M813 F826 | P670-A804 HydrophobicContact CG-CB 3.82Å; A804-L811 HydrophobicContact CB-CD1 3.97Å; A804-L811 HydrophobicContact CB-CG 4.46Å; A804-T812 WeakPolarHBondContact CA-O 3.44Å; A804-M813 HydrophobicContact CB-SD 3.79Å; A804-F826 HydrophobicContact CB-CE2 4.37Å; A804-F826 HydrophobicContact CB-CZ 4.31Å |
| 805 | L | 83.6 | Confident | 87.2 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.2 | 177.8 | -165 | 150.2 | 0 | 0 | 0 | 109 | T812 L814 | L805-T812 PolarHBondContact N-O 3.26Å; L805-T812 PolarHBondContact O-N 3.42Å; L805-L814 HydrophobicContact CB-CD1 4.45Å; L805-L814 HydrophobicContact CB-CD2 4.35Å; L805-L814 HydrophobicContact CB-CG 4.42Å |
| 806 | T | 76.6 | Confident | 87.2 | Confident | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.4 | 177 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | L811 F826 | T806-L811 HydrophobicContact CG2-CD1 3.48Å; T806-L811 VanDerWaalsContact CG2-CD1 3.48Å; T806-F826 HydrophobicContact CG2-CD1 3.49Å; T806-F826 VanDerWaalsContact CG2-CD1 3.49Å; T806-F826 HydrophobicContact CG2-CE1 3.57Å |
| 807 | T | 78.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 56 Ų | 56 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 159.5 | 163.3 | -50.8 | 0 | 0 | 0 | 0 | 107.5 | E809 T810 H829 | T807-E809 PolarHBondContact O-N 3.06Å; T807-T810 PolarHBondContact N-O 3.02Å; T807-T810 PolarHBondContact O-N 3.43Å; T807-T810 VanDerWaalsContact O-N 3.12Å; T807-T810 VanDerWaalsContact O-O 3.05Å; T807-H829 PolarHBondContact O-CE1 2.91Å; T807-H829 PolarHBondContact O-NE2 3.13Å |
| 808 | E | 72.8 | Confident | 86.9 | Confident | 181 Ų | 181 | 60.6 Ų | 60.6 | 85% | 0.846 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -33.2 | -174.6 | -154.5 | 169 | -164 | 0 | 0 | 113.1 | ||
| 809 | E | 75.9 | Confident | 86.7 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 77% | 0.771 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 9.1 | 179.3 | -60 | -172.5 | 166 | 0 | 0 | 114 | T807 L833 | T807-E809 PolarHBondContact O-N 3.06Å; E809-L833 WeakPolarHBondContact O-CD2 3.17Å |
| 810 | T | 76.7 | Confident | 86.4 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 139.6 | -176.1 | -9 | 0 | 0 | 0 | 0 | 113.2 | T807 | T807-T810 PolarHBondContact N-O 3.02Å; T807-T810 PolarHBondContact O-N 3.43Å; T807-T810 VanDerWaalsContact O-N 3.12Å; T807-T810 VanDerWaalsContact O-O 3.05Å |
| 811 | L | 81.3 | Confident | 85.8 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106 | 167.7 | -176.5 | 70 | 0 | 0 | 0 | 108.3 | A804 T806 M813 F826 V830 L833 | A804-L811 HydrophobicContact CB-CD1 3.97Å; A804-L811 HydrophobicContact CB-CG 4.46Å; T806-L811 HydrophobicContact CG2-CD1 3.48Å; T806-L811 VanDerWaalsContact CG2-CD1 3.48Å; L811-M813 HydrophobicContact CD2-CE 3.56Å; L811-M813 HydrophobicContact CG-CE 4.11Å; L811-F826 HydrophobicContact CD1-CD1 3.95Å; L811-F826 HydrophobicContact CD1-CE1 4.46Å; L811-F826 HydrophobicContact CD1-CG 4.41Å; L811-F826 HydrophobicContact CD2-CB 4.45Å; L811-V830 HydrophobicContact CD2-CG2 3.57Å; L811-L833 HydrophobicContact CB-CD1 3.35Å |
| 812 | T | 83.4 | Confident | 85 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.6 | 180 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | A804 L805 L814 | A804-T812 WeakPolarHBondContact CA-O 3.44Å; L805-T812 PolarHBondContact N-O 3.26Å; L805-T812 PolarHBondContact O-N 3.42Å; T812-L814 PolarHBondContact O-N 3.28Å |
| 813 | M | 86.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 16% | 0.163 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.9 | 174.9 | -60.5 | -59.6 | 174.8 | 0 | 0 | 109.2 | P670 N671 M672 A804 L811 Y815 | P670-M813 HydrophobicContact CB-CE 4.13Å; P670-M813 HydrophobicContact CB-SD 4.44Å; P670-M813 HydrophobicContact CG-CE 4.25Å; P670-M813 HydrophobicContact CG-SD 3.92Å; N671-M813 VanDerWaalsContact O-CE 3.22Å; N671-M813 WeakPolarHBondContact O-CE 3.37Å; M672-M813 HydrophobicContact CB-CE 4.42Å; A804-M813 HydrophobicContact CB-SD 3.79Å; L811-M813 HydrophobicContact CD2-CE 3.56Å; L811-M813 HydrophobicContact CG-CE 4.11Å; M813-Y815 VanDerWaalsContact C-N 3.34Å; M813-Y815 HydrophobicContact CB-CD1 4.12Å; M813-Y815 HydrophobicContact CB-CD2 4.3Å; M813-Y815 HydrophobicContact CB-CE1 3.68Å; M813-Y815 HydrophobicContact CB-CE2 3.88Å; M813-Y815 HydrophobicContact CB-CG 4.41Å; M813-Y815 HydrophobicContact CG-CE1 4.34Å |
| 814 | L | 88.5 | Confident | 82.8 | Confident | 58 Ų | 58 | 81 Ų | 81 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -14.6 | 178.6 | -61 | 180 | 0 | 0 | 0 | 112.1 | I651 T803 L805 T812 Q816 | I651-L814 WeakPolarHBondContact CD1-O 3.4Å; T803-L814 PolarHBondContact O-N 3.3Å; T803-L814 VanDerWaalsContact O-N 3.13Å; L805-L814 HydrophobicContact CB-CD1 4.45Å; L805-L814 HydrophobicContact CB-CD2 4.35Å; L805-L814 HydrophobicContact CB-CG 4.42Å; T812-L814 PolarHBondContact O-N 3.28Å; L814-Q816 PolarHBondContact O-N 2.96Å |
| 815 | Y | 90.8 | Very high | 82 | Confident | 107 Ų | 107 | 85 Ų | 85 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 18.3 | -176.9 | -54.6 | -67.3 | 0 | 0 | 0 | 115 | I651 N653 M672 M813 | I651-Y815 HydrophobicContact CD1-CD2 4.37Å; N653-Y815 PolarHBondContact ND2-O 2.66Å; N653-Y815 PolarHBondContact OD1-O 3.5Å; M672-Y815 WeakPolarHBondContact O-CE1 3.45Å; M813-Y815 VanDerWaalsContact C-N 3.34Å; M813-Y815 HydrophobicContact CB-CD1 4.12Å; M813-Y815 HydrophobicContact CB-CD2 4.3Å; M813-Y815 HydrophobicContact CB-CE1 3.68Å; M813-Y815 HydrophobicContact CB-CE2 3.88Å; M813-Y815 HydrophobicContact CB-CG 4.41Å; M813-Y815 HydrophobicContact CG-CE1 4.34Å |
| 816 | Q | 92.8 | Very high | 81.6 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.1 | 175.3 | -69.9 | -179.9 | -1.1 | 0 | 0 | 110 | I651 T803 L814 | I651-Q816 HydrophobicContact CG2-CG 4.05Å; T803-Q816 PolarHBondContact N-O 3.29Å; T803-Q816 PolarHBondContact OG1-O 3.18Å; L814-Q816 PolarHBondContact O-N 2.96Å |
| 817 | V | 95.1 | Very high | 81.8 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 17% | 0.17 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.8 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | N653 Y678 L800 H801 V802 | N653-V817 HydrophobicContact CB-CG2 4.42Å; N653-V817 PolarHBondContact OD1-N 3.31Å; Y678-V817 HydrophobicContact CD1-CG2 4.11Å; Y678-V817 HydrophobicContact CD2-CG2 3.73Å; Y678-V817 HydrophobicContact CE1-CG1 4.13Å; Y678-V817 HydrophobicContact CE1-CG2 4.23Å; Y678-V817 HydrophobicContact CE2-CB 4.35Å; Y678-V817 HydrophobicContact CE2-CG2 3.88Å; Y678-V817 HydrophobicContact CG-CG2 3.84Å; L800-V817 HydrophobicContact CB-CG1 3.98Å; L800-V817 HydrophobicContact CD1-CG1 4.2Å; L800-V817 HydrophobicContact CD2-CG1 4.46Å; L800-V817 HydrophobicContact CG-CG1 4.45Å; H801-V817 CarbonylContact O-C 3.56Å; H801-V817 WeakPolarHBondContact O-CA 3.48Å; V802-V817 HydrophobicContact CG1-CG2 3.95Å |
| 818 | K | 93.4 | Very high | 82.1 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 45% | 0.452 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 155.8 | 175.4 | -66.9 | -169.6 | -173.8 | 174.4 | 0 | 110.7 | L800 H801 T803 | L800-K818 WeakPolarHBondContact CA-O 3.34Å; H801-K818 PolarHBondContact N-O 2.87Å; H801-K818 PolarHBondContact ND1-O 3.23Å; H801-K818 PolarHBondContact O-N 2.6Å; T803-K818 HydrophobicContact CG2-CB 4.28Å; T803-K818 HydrophobicContact CG2-CD 3.7Å; T803-K818 HydrophobicContact CG2-CG 3.86Å |
| 819 | K | 93.1 | Very high | 82.4 | Confident | 150 Ų | 150 | 73.6 Ų | 73.6 | 65% | 0.652 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 152.8 | 172.7 | -66.5 | -176.1 | 177.9 | -177.8 | 0 | 110.7 | L800 H801 | L800-K819 HydrophobicContact CD2-CG 4.02Å; H801-K819 PolarHBondContact CE1-O 2.97Å |
| 820 | G | 89.6 | Confident | 82.8 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 89 | -171.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N799 L800 H801 | N799-G820 CarbonylContact C-O 3.55Å; N799-G820 PolarHBondContact O-N 3.3Å; L800-G820 CarbonylContact C-O 3.57Å; H801-G820 PolarHBondContact ND1-O 3.31Å |
| 821 | V | 85.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | trans | -99.6 | 151.7 | -176.6 | -172.6 | 0 | 0 | 0 | 0 | 110 | H785 T788 N799 | H785-V821 WeakPolarHBondContact CE1-CG1 3.49Å; T788-V821 HydrophobicContact CG2-CG1 3.84Å; T788-V821 HydrophobicContact CG2-CG2 3.86Å; N799-V821 HydrophobicContact CB-CG2 3.74Å | ||
| 822 | C | 76.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 68 Ų | 68 | 10% | 0.101 | 37% | 0.373 | C | S | . | . | trans | -74 | 122.6 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | H785 H801 Q824 F826 | H785-C822 PolarHBondContact CE1-O 3.34Å; H785-C822 VanDerWaalsContact CE1-O 3.3Å; H801-C822 HydrophobicContact CB-CB 4.02Å; C822-Q824 VanDerWaalsContact C-N 3.34Å; C822-Q824 PolarHBondContact O-N 3.43Å; C822-Q824 PolarHBondContact SG-O 3.15Å; C822-F826 VanDerWaalsContact SG-CE2 3.57Å | ||
| 823 | D | 65.2 | Low | 83.3 | Confident | 158 Ų | 158 | 67 Ų | 67 | 85% | 0.845 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -71.1 | -26 | -176 | -161.7 | 32.7 | 0 | 0 | 0 | 113.3 | ||
| 824 | Q | 66.8 | Low | 83.3 | Confident | 122 Ų | 122 | 68.2 Ų | 68.2 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -123.9 | 141.2 | -175 | -65.1 | -175.4 | -15.1 | 0 | 0 | 112.9 | C822 | C822-Q824 VanDerWaalsContact C-N 3.34Å; C822-Q824 PolarHBondContact O-N 3.43Å; C822-Q824 PolarHBondContact SG-O 3.15Å |
| 825 | S | 69.3 | Low | 83.2 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 70% | 0.699 | 40% | 0.402 | S | S | * | . | trans | -90.5 | 118.8 | 172 | -69 | 0 | 0 | 0 | 0 | 110.5 | G827 | S825-G827 VanDerWaalsContact C-N 3.32Å; S825-G827 PolarHBondContact O-N 3.39Å | ||
| 826 | F | 75.7 | Confident | 83.1 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 10% | 0.096 | 41% | 0.405 | C | S | . | . | trans | -84.4 | 0.6 | -176.3 | -57.4 | -76.3 | 0 | 0 | 0 | 114.8 | P670 A804 T806 L811 C822 I828 H829 V830 | P670-F826 HydrophobicContact CB-CB 4.27Å; P670-F826 HydrophobicContact CB-CD2 3.85Å; P670-F826 HydrophobicContact CB-CG 4.37Å; P670-F826 HydrophobicContact CG-CD2 3.74Å; P670-F826 HydrophobicContact CG-CE2 4.12Å; A804-F826 HydrophobicContact CB-CE2 4.37Å; A804-F826 HydrophobicContact CB-CZ 4.31Å; T806-F826 HydrophobicContact CG2-CD1 3.49Å; T806-F826 VanDerWaalsContact CG2-CD1 3.49Å; T806-F826 HydrophobicContact CG2-CE1 3.57Å; L811-F826 HydrophobicContact CD1-CD1 3.95Å; L811-F826 HydrophobicContact CD1-CE1 4.46Å; L811-F826 HydrophobicContact CD1-CG 4.41Å; L811-F826 HydrophobicContact CD2-CB 4.45Å; C822-F826 VanDerWaalsContact SG-CE2 3.57Å; F826-I828 PolarHBondContact O-N 3.49Å; F826-H829 PolarHBondContact O-N 2.91Å; F826-V830 WeakPolarHBondContact O-CG2 3.47Å; F826-V830 PolarHBondContact O-N 3.01Å | ||
| 827 | G | 80.7 | Confident | 83.1 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.6 | -44 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | S825 V830 A831 | S825-G827 VanDerWaalsContact C-N 3.32Å; S825-G827 PolarHBondContact O-N 3.39Å; G827-V830 PolarHBondContact O-N 2.82Å; G827-A831 PolarHBondContact O-N 3.36Å |
| 828 | I | 84.5 | Confident | 82.9 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 178.3 | -60.2 | 179.8 | 0 | 0 | 0 | 110.9 | F826 V830 A831 E832 I841 A844 K845 A848 | F826-I828 PolarHBondContact O-N 3.49Å; I828-V830 VanDerWaalsContact C-N 3.31Å; I828-V830 PolarHBondContact O-N 2.79Å; I828-A831 WeakPolarHBondContact O-CA 3.49Å; I828-A831 WeakPolarHBondContact O-CB 3.45Å; I828-A831 PolarHBondContact O-N 2.69Å; I828-E832 PolarHBondContact O-N 3.15Å; I828-I841 HydrophobicContact CG2-CG2 4.03Å; I828-A844 HydrophobicContact CD1-CB 4.48Å; I828-K845 HydrophobicContact CD1-CG 4.02Å; I828-K845 HydrophobicContact CG2-CG 3.83Å; I828-A848 HydrophobicContact CD1-CB 3.76Å |
| 829 | H | 80.2 | Confident | 82.8 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.3 | -159.2 | 75 | 0 | 0 | 0 | 111.7 | T807 F826 A831 E832 L833 | T807-H829 PolarHBondContact O-CE1 2.91Å; T807-H829 PolarHBondContact O-NE2 3.13Å; F826-H829 PolarHBondContact O-N 2.91Å; H829-A831 VanDerWaalsContact C-N 3.29Å; H829-A831 PolarHBondContact O-N 3.04Å; H829-E832 IonicContact ND1-OE2 2.75Å; H829-E832 WeakPolarHBondContact O-CB 3.25Å; H829-E832 PolarHBondContact O-N 2.98Å; H829-L833 WeakPolarHBondContact O-CG 3.47Å; H829-L833 PolarHBondContact O-N 3.09Å |
| 830 | V | 83.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 42% | 0.424 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | L811 F826 G827 I828 L833 A834 | L811-V830 HydrophobicContact CD2-CG2 3.57Å; F826-V830 WeakPolarHBondContact O-CG2 3.47Å; F826-V830 PolarHBondContact O-N 3.01Å; G827-V830 PolarHBondContact O-N 2.82Å; I828-V830 VanDerWaalsContact C-N 3.31Å; I828-V830 PolarHBondContact O-N 2.79Å; V830-L833 PolarHBondContact O-N 3.44Å; V830-A834 WeakPolarHBondContact O-CB 3.43Å; V830-A834 PolarHBondContact O-N 3.39Å |
| 831 | A | 85.4 | Confident | 82.9 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G827 I828 H829 A834 N835 F836 | G827-A831 PolarHBondContact O-N 3.36Å; I828-A831 WeakPolarHBondContact O-CA 3.49Å; I828-A831 WeakPolarHBondContact O-CB 3.45Å; I828-A831 PolarHBondContact O-N 2.69Å; H829-A831 VanDerWaalsContact C-N 3.29Å; H829-A831 PolarHBondContact O-N 3.04Å; A831-A834 PolarHBondContact O-N 3.44Å; A831-N835 PolarHBondContact O-N 3.38Å; A831-F836 HydrophobicContact CB-CB 4.44Å; A831-F836 HydrophobicContact CB-CD1 4.36Å; A831-F836 HydrophobicContact CB-CD2 4.32Å; A831-F836 HydrophobicContact CB-CG 4.12Å; A831-F836 WeakPolarHBondContact O-CB 3.39Å; A831-F836 WeakPolarHBondContact O-CD2 3.35Å; A831-F836 PolarHBondContact O-N 2.9Å; A831-F836 VanDerWaalsContact O-N 3.11Å |
| 832 | E | 84.8 | Confident | 83.1 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 171.7 | -71.2 | 177.3 | 173.5 | 0 | 0 | 111.2 | I828 H829 A834 N835 I841 K845 | I828-E832 PolarHBondContact O-N 3.15Å; H829-E832 IonicContact ND1-OE2 2.75Å; H829-E832 WeakPolarHBondContact O-CB 3.25Å; H829-E832 PolarHBondContact O-N 2.98Å; E832-A834 VanDerWaalsContact C-N 3.29Å; E832-A834 PolarHBondContact O-N 3.07Å; E832-N835 WeakPolarHBondContact O-CA 3.49Å; E832-N835 PolarHBondContact O-N 3.24Å; E832-I841 HydrophobicContact CB-CD1 4.4Å; E832-I841 HydrophobicContact CG-CB 4.48Å; E832-I841 HydrophobicContact CG-CD1 3.73Å; E832-I841 HydrophobicContact CG-CG1 4.01Å; E832-I841 HydrophobicContact CG-CG2 3.67Å; E832-I841 VanDerWaalsContact OE1-CG2 3.23Å; E832-I841 WeakPolarHBondContact OE1-CG2 3.28Å; E832-K845 WeakPolarHBondContact OE1-CE 3.38Å; E832-K845 IonicContact OE1-NZ 3.65Å; E832-K845 PolarHBondContact OE1-NZ 3.44Å |
| 833 | L | 82.3 | Confident | 83.7 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 28% | 0.277 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -30.5 | 176.9 | -64 | 172.7 | 0 | 0 | 0 | 113.4 | E809 L811 H829 V830 N835 | E809-L833 WeakPolarHBondContact O-CD2 3.17Å; L811-L833 HydrophobicContact CB-CD1 3.35Å; H829-L833 WeakPolarHBondContact O-CG 3.47Å; H829-L833 PolarHBondContact O-N 3.09Å; V830-L833 PolarHBondContact O-N 3.44Å; L833-N835 PolarHBondContact O-N 3.5Å |
| 834 | A | 85.2 | Confident | 84.8 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 8.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | V830 A831 E832 F836 | V830-A834 WeakPolarHBondContact O-CB 3.43Å; V830-A834 PolarHBondContact O-N 3.39Å; A831-A834 PolarHBondContact O-N 3.44Å; E832-A834 VanDerWaalsContact C-N 3.29Å; E832-A834 PolarHBondContact O-N 3.07Å; A834-F836 VanDerWaalsContact C-N 3.3Å; A834-F836 HydrophobicContact CB-CD2 3.85Å; A834-F836 HydrophobicContact CB-CE2 3.95Å; A834-F836 PolarHBondContact O-N 2.97Å |
| 835 | N | 87.1 | Confident | 85.7 | Confident | 143 Ų | 143 | 73.6 Ų | 73.6 | 77% | 0.765 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 39 | -179.8 | -61.1 | -60.7 | 0 | 0 | 0 | 113.2 | A831 E832 L833 | A831-N835 PolarHBondContact O-N 3.38Å; E832-N835 WeakPolarHBondContact O-CA 3.49Å; E832-N835 PolarHBondContact O-N 3.24Å; L833-N835 PolarHBondContact O-N 3.5Å |
| 836 | F | 88.6 | Confident | 86.5 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 48% | 0.478 | 41% | 0.408 | S | S | . | . | trans | -60.9 | 149.9 | 172.3 | -88.1 | -128.5 | 0 | 0 | 0 | 110.5 | A831 A834 K838 V840 I841 | A831-F836 HydrophobicContact CB-CB 4.44Å; A831-F836 HydrophobicContact CB-CD1 4.36Å; A831-F836 HydrophobicContact CB-CD2 4.32Å; A831-F836 HydrophobicContact CB-CG 4.12Å; A831-F836 WeakPolarHBondContact O-CB 3.39Å; A831-F836 WeakPolarHBondContact O-CD2 3.35Å; A831-F836 PolarHBondContact O-N 2.9Å; A831-F836 VanDerWaalsContact O-N 3.11Å; A834-F836 VanDerWaalsContact C-N 3.3Å; A834-F836 HydrophobicContact CB-CD2 3.85Å; A834-F836 HydrophobicContact CB-CE2 3.95Å; A834-F836 PolarHBondContact O-N 2.97Å; F836-K838 PolarHBondContact O-N 3.29Å; F836-V840 HydrophobicContact CD1-CG1 4.12Å; F836-I841 HydrophobicContact CB-CD1 3.91Å; F836-I841 HydrophobicContact CB-CG1 3.93Å; F836-I841 WeakPolarHBondContact O-CD1 3.37Å | ||
| 837 | P | 93.1 | Very high | 86.9 | Confident | 83 Ų | 83 | 79 Ų | 79 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | trans | -57 | 131.5 | 175.6 | -23.8 | 33.2 | 0 | 0 | 0 | 110.9 | H839 V840 I841 | P837-H839 PolarHBondContact O-N 2.8Å; P837-V840 HydrophobicContact CB-CG2 4.06Å; P837-V840 HydrophobicContact CG-CG2 4.2Å; P837-V840 WeakPolarHBondContact O-CA 3.38Å; P837-V840 WeakPolarHBondContact O-CB 3.33Å; P837-V840 PolarHBondContact O-N 2.98Å; P837-I841 PolarHBondContact O-N 2.79Å | ||
| 838 | K | 90.6 | Very high | 87.1 | Confident | 180 Ų | 180 | 78.3 Ų | 78.3 | 78% | 0.783 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -49.4 | -38.6 | -179.5 | -67.1 | -171.9 | 177.8 | -172.7 | 0 | 112.8 | F836 V840 I841 E842 | F836-K838 PolarHBondContact O-N 3.29Å; K838-V840 PolarHBondContact O-N 2.96Å; K838-I841 PolarHBondContact O-N 3Å; K838-E842 WeakPolarHBondContact O-CG 3.34Å; K838-E842 PolarHBondContact O-N 2.96Å |
| 839 | H | 92.3 | Very high | 86.9 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 68% | 0.676 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | 176 | -180 | 55.8 | 0 | 0 | 0 | 113.1 | P837 E842 C843 | P837-H839 PolarHBondContact O-N 2.8Å; H839-E842 PolarHBondContact O-N 3.33Å; H839-C843 PolarHBondContact O-N 3.25Å; H839-C843 VanDerWaalsContact O-N 3.08Å; H839-C843 PolarHBondContact O-SG 3.09Å |
| 840 | V | 92.6 | Very high | 86.8 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | F836 P837 K838 C843 A844 | F836-V840 HydrophobicContact CD1-CG1 4.12Å; P837-V840 HydrophobicContact CB-CG2 4.06Å; P837-V840 HydrophobicContact CG-CG2 4.2Å; P837-V840 WeakPolarHBondContact O-CA 3.38Å; P837-V840 WeakPolarHBondContact O-CB 3.33Å; P837-V840 PolarHBondContact O-N 2.98Å; K838-V840 PolarHBondContact O-N 2.96Å; V840-C843 PolarHBondContact O-N 3.29Å; V840-A844 WeakPolarHBondContact O-CB 3.38Å; V840-A844 PolarHBondContact O-N 3.47Å |
| 841 | I | 90.8 | Very high | 86.5 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 6% | 0.062 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.7 | -68.2 | 150.7 | 0 | 0 | 0 | 111 | I828 E832 F836 P837 K838 C843 A844 K845 | I828-I841 HydrophobicContact CG2-CG2 4.03Å; E832-I841 HydrophobicContact CB-CD1 4.4Å; E832-I841 HydrophobicContact CG-CB 4.48Å; E832-I841 HydrophobicContact CG-CD1 3.73Å; E832-I841 HydrophobicContact CG-CG1 4.01Å; E832-I841 HydrophobicContact CG-CG2 3.67Å; E832-I841 VanDerWaalsContact OE1-CG2 3.23Å; E832-I841 WeakPolarHBondContact OE1-CG2 3.28Å; F836-I841 HydrophobicContact CB-CD1 3.91Å; F836-I841 HydrophobicContact CB-CG1 3.93Å; F836-I841 WeakPolarHBondContact O-CD1 3.37Å; P837-I841 PolarHBondContact O-N 2.79Å; K838-I841 PolarHBondContact O-N 3Å; I841-C843 VanDerWaalsContact C-N 3.34Å; I841-C843 PolarHBondContact O-N 2.93Å; I841-A844 WeakPolarHBondContact O-CB 3.48Å; I841-A844 PolarHBondContact O-N 2.85Å; I841-A844 VanDerWaalsContact O-N 3.14Å; I841-K845 HydrophobicContact CG2-CD 4.34Å; I841-K845 WeakPolarHBondContact O-CG 3.21Å; I841-K845 PolarHBondContact O-N 3.23Å |
| 842 | E | 89.3 | Confident | 85.7 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.5 | -70.4 | -59 | 129.4 | 0 | 0 | 111.8 | K838 H839 A844 K845 Q846 | K838-E842 WeakPolarHBondContact O-CG 3.34Å; K838-E842 PolarHBondContact O-N 2.96Å; H839-E842 PolarHBondContact O-N 3.33Å; E842-A844 VanDerWaalsContact C-N 3.35Å; E842-A844 PolarHBondContact O-N 2.89Å; E842-K845 PolarHBondContact O-N 3.5Å; E842-K845 IonicContact OE1-NZ 2.82Å; E842-Q846 PolarHBondContact O-N 2.82Å |
| 843 | C | 89.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 89.7 Ų | 89.7 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 173 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | H839 V840 I841 Q846 K847 | H839-C843 PolarHBondContact O-N 3.25Å; H839-C843 VanDerWaalsContact O-N 3.08Å; H839-C843 PolarHBondContact O-SG 3.09Å; V840-C843 PolarHBondContact O-N 3.29Å; I841-C843 VanDerWaalsContact C-N 3.34Å; I841-C843 PolarHBondContact O-N 2.93Å; C843-Q846 PolarHBondContact O-N 2.99Å; C843-K847 PolarHBondContact O-N 3.19Å |
| 844 | A | 89 | Confident | 82.9 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I828 V840 I841 E842 K847 A848 | I828-A844 HydrophobicContact CD1-CB 4.48Å; V840-A844 WeakPolarHBondContact O-CB 3.38Å; V840-A844 PolarHBondContact O-N 3.47Å; I841-A844 WeakPolarHBondContact O-CB 3.48Å; I841-A844 PolarHBondContact O-N 2.85Å; I841-A844 VanDerWaalsContact O-N 3.14Å; E842-A844 VanDerWaalsContact C-N 3.35Å; E842-A844 PolarHBondContact O-N 2.89Å; A844-K847 PolarHBondContact O-N 3.42Å; A844-A848 WeakPolarHBondContact O-CB 3.45Å; A844-A848 PolarHBondContact O-N 3.18Å |
| 845 | K | 86.9 | Confident | 81.4 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 34% | 0.335 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.7 | -73.2 | 179.4 | -178.2 | 169.4 | 0 | 111.6 | I828 E832 I841 E842 K847 A848 L849 | I828-K845 HydrophobicContact CD1-CG 4.02Å; I828-K845 HydrophobicContact CG2-CG 3.83Å; E832-K845 WeakPolarHBondContact OE1-CE 3.38Å; E832-K845 IonicContact OE1-NZ 3.65Å; E832-K845 PolarHBondContact OE1-NZ 3.44Å; I841-K845 HydrophobicContact CG2-CD 4.34Å; I841-K845 WeakPolarHBondContact O-CG 3.21Å; I841-K845 PolarHBondContact O-N 3.23Å; E842-K845 PolarHBondContact O-N 3.5Å; E842-K845 IonicContact OE1-NZ 2.82Å; K845-K847 VanDerWaalsContact C-N 3.35Å; K845-K847 PolarHBondContact O-N 3.08Å; K845-A848 PolarHBondContact O-N 3.3Å; K845-L849 WeakPolarHBondContact O-CG 3.29Å; K845-L849 PolarHBondContact O-N 2.9Å |
| 846 | Q | 85.1 | Confident | 79.6 | Confident | 121 Ų | 121 | 91.9 Ų | 91.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 176.5 | -174.5 | 178.9 | 2.4 | 0 | 0 | 111.4 | E842 C843 L849 E850 | E842-Q846 PolarHBondContact O-N 2.82Å; C843-Q846 PolarHBondContact O-N 2.99Å; Q846-L849 PolarHBondContact O-N 3.3Å; Q846-E850 PolarHBondContact O-N 3.39Å |
| 847 | K | 85.2 | Confident | 77.1 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 177 | -77.3 | -71.2 | 167.2 | -158.8 | 0 | 113.2 | C843 A844 K845 L849 E850 L851 | C843-K847 PolarHBondContact O-N 3.19Å; A844-K847 PolarHBondContact O-N 3.42Å; K845-K847 VanDerWaalsContact C-N 3.35Å; K845-K847 PolarHBondContact O-N 3.08Å; K847-L849 VanDerWaalsContact C-N 3.34Å; K847-E850 IonicContact NZ-OE1 3.39Å; K847-E850 PolarHBondContact NZ-OE1 3.26Å; K847-E850 IonicContact NZ-OE2 2.8Å; K847-E850 PolarHBondContact NZ-OE2 3.2Å; K847-E850 PolarHBondContact O-N 2.8Å; K847-L851 WeakPolarHBondContact O-CG 3.46Å; K847-L851 PolarHBondContact O-N 2.89Å; K847-L851 VanDerWaalsContact O-N 3.14Å |
| 848 | A | 83.1 | Confident | 74.5 | Confident | 42 Ų | 42 | 92.1 Ų | 92.1 | 35% | 0.347 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | I828 A844 K845 E850 L851 E852 | I828-A848 HydrophobicContact CD1-CB 3.76Å; A844-A848 WeakPolarHBondContact O-CB 3.45Å; A844-A848 PolarHBondContact O-N 3.18Å; K845-A848 PolarHBondContact O-N 3.3Å; A848-E850 VanDerWaalsContact C-N 3.3Å; A848-E850 PolarHBondContact O-N 3.08Å; A848-L851 CarbonylContact O-C 3.6Å; A848-L851 PolarHBondContact O-N 3.02Å; A848-L851 VanDerWaalsContact O-N 3.08Å; A848-E852 WeakPolarHBondContact O-CB 3.42Å; A848-E852 PolarHBondContact O-N 3.38Å |
| 849 | L | 80.6 | Confident | 71.9 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 44% | 0.44 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 175.1 | -70.7 | 168 | 0 | 0 | 0 | 113 | K845 Q846 K847 L851 | K845-L849 WeakPolarHBondContact O-CG 3.29Å; K845-L849 PolarHBondContact O-N 2.9Å; Q846-L849 PolarHBondContact O-N 3.3Å; K847-L849 VanDerWaalsContact C-N 3.34Å; L849-L851 VanDerWaalsContact C-N 3.32Å |
| 850 | E | 79.2 | Confident | 69.3 | Low | 90 Ų | 90 | 89.1 Ų | 89.1 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.1 | -30.3 | 173.7 | -67.7 | 173.7 | -155.1 | 0 | 0 | 112.3 | Q846 K847 A848 | Q846-E850 PolarHBondContact O-N 3.39Å; K847-E850 IonicContact NZ-OE1 3.39Å; K847-E850 PolarHBondContact NZ-OE1 3.26Å; K847-E850 IonicContact NZ-OE2 2.8Å; K847-E850 PolarHBondContact NZ-OE2 3.2Å; K847-E850 PolarHBondContact O-N 2.8Å; A848-E850 VanDerWaalsContact C-N 3.3Å; A848-E850 PolarHBondContact O-N 3.08Å |
| 851 | L | 76.8 | Confident | 66.5 | Low | 105 Ų | 105 | 94.9 Ų | 94.9 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -96.4 | -14.2 | -175.6 | -65.3 | 172.8 | 0 | 0 | 0 | 113.7 | K847 A848 L849 E853 F854 | K847-L851 WeakPolarHBondContact O-CG 3.46Å; K847-L851 PolarHBondContact O-N 2.89Å; K847-L851 VanDerWaalsContact O-N 3.14Å; A848-L851 CarbonylContact O-C 3.6Å; A848-L851 PolarHBondContact O-N 3.02Å; A848-L851 VanDerWaalsContact O-N 3.08Å; L849-L851 VanDerWaalsContact C-N 3.32Å; L851-E853 PolarHBondContact O-N 3.46Å; L851-E853 VanDerWaalsContact O-N 3.11Å; L851-F854 HydrophobicContact CD2-CD2 4.29Å; L851-F854 HydrophobicContact CD2-CE2 4.3Å; L851-F854 WeakPolarHBondContact O-CB 3.46Å; L851-F854 PolarHBondContact O-N 3.34Å; L851-F854 VanDerWaalsContact O-N 3.09Å |
| 852 | E | 67.6 | Low | 64.2 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -58 | -24.1 | 177.4 | -150.4 | 169.8 | -144 | 0 | 0 | 112.2 | A848 F854 Q855 | A848-E852 WeakPolarHBondContact O-CB 3.42Å; A848-E852 PolarHBondContact O-N 3.38Å; E852-F854 PolarHBondContact O-N 2.84Å; E852-Q855 WeakPolarHBondContact O-CG 3.48Å; E852-Q855 PolarHBondContact O-N 2.86Å |
| 853 | E | 57.8 | Low | 61.7 | Low | 103 Ų | 103 | 101.6 Ų | 101.6 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -65.1 | -23.6 | 178.3 | -145.6 | 165.5 | -158.5 | 0 | 0 | 113.1 | L851 Q855 R876 | L851-E853 PolarHBondContact O-N 3.46Å; L851-E853 VanDerWaalsContact O-N 3.11Å; E853-Q855 VanDerWaalsContact C-N 3.27Å; E853-Q855 PolarHBondContact O-N 2.82Å; E853-R876 PolarHBondContact O-NH2 3.49Å |
| 854 | F | 50.9 | Low | 59.3 | Low | 109 Ų | 109 | 106.7 Ų | 106.7 | 48% | 0.478 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -76 | -2.5 | -178.4 | -82.8 | -90.3 | 0 | 0 | 0 | 115.2 | Y757 L851 E852 Y856 | Y757-F854 WeakPolarHBondContact OH-CE1 3.33Å; L851-F854 HydrophobicContact CD2-CD2 4.29Å; L851-F854 HydrophobicContact CD2-CE2 4.3Å; L851-F854 WeakPolarHBondContact O-CB 3.46Å; L851-F854 PolarHBondContact O-N 3.34Å; L851-F854 VanDerWaalsContact O-N 3.09Å; E852-F854 PolarHBondContact O-N 2.84Å; F854-Y856 PolarHBondContact O-N 2.94Å |
| 855 | Q | 53.1 | Low | 57.1 | Low | 69 Ų | 69 | 108 Ų | 108 | 32% | 0.322 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -75.6 | -10.3 | -168.6 | -71 | 174.8 | -6.4 | 0 | 0 | 116.3 | E852 E853 | E852-Q855 WeakPolarHBondContact O-CG 3.48Å; E852-Q855 PolarHBondContact O-N 2.86Å; E853-Q855 VanDerWaalsContact C-N 3.27Å; E853-Q855 PolarHBondContact O-N 2.82Å |
| 856 | Y | 49.4 | Very low | 55.2 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | trans | -137.4 | 82.3 | -176.4 | -82.5 | -88.8 | 0 | 0 | 0 | 113 | F854 | F854-Y856 PolarHBondContact O-N 2.94Š| ||
| 857 | I | 36 | Very low | 53.3 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 80% | 0.795 | 57% | 0.567 | S | S | * | * | trans | -97.1 | 86.5 | 165.2 | -55.3 | 176.4 | 0 | 0 | 0 | 107.7 | ||||
| 858 | G | 39.2 | Very low | 51.7 | Low | 42 Ų | 42 | 109.2 Ų | 109.2 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | trans | -174.6 | 110.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S860 | G858-S860 PolarHBondContact O-N 3.21Š| ||
| 859 | E | 36 | Very low | 50.4 | Low | 189 Ų | 189 | 109.1 Ų | 109.1 | 88% | 0.883 | 57% | 0.57 | S | S | * | * | trans | -60.4 | 104.6 | 167.3 | -74.9 | -176.3 | 162.2 | 0 | 0 | 108.6 | Q861 | E859-Q861 PolarHBondContact O-N 3.41Š| ||
| 860 | S | 37.2 | Very low | 49.4 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | trans | -86.4 | 89.9 | -177.6 | 39 | 0 | 0 | 0 | 0 | 110.4 | G858 G862 | G858-S860 PolarHBondContact O-N 3.21Å; S860-G862 VanDerWaalsContact C-N 3.31Å; S860-G862 PolarHBondContact O-N 2.82Å | ||
| 861 | Q | 33.8 | Very low | 48.7 | Very low | 189 Ų | 189 | 112.5 Ų | 112.5 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | trans | -76 | 88.1 | 162.4 | -73.3 | -166.6 | 6.6 | 0 | 0 | 109.8 | E859 | E859-Q861 PolarHBondContact O-N 3.41Š| ||
| 862 | G | 43.3 | Very low | 48.1 | Very low | 42 Ų | 42 | 111.6 Ų | 111.6 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | S | Bend | trans | 36.6 | 104.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | S860 | S860-G862 VanDerWaalsContact C-N 3.31Å; S860-G862 PolarHBondContact O-N 2.82Å |
| 863 | Y | 35.3 | Very low | 48.2 | Very low | 222 Ų | 222 | 110.7 Ų | 110.7 | 87% | 0.871 | 58% | 0.575 | S | S | * | * | S | Bend | -162.1 | 144.4 | 125.6 | -97.9 | -75.9 | 0 | 0 | 0 | 109.4 | M865 | Y863-M865 PolarHBondContact O-N 3.49Š| |
| 864 | D | 39.9 | Very low | 49 | Very low | 160 Ų | 160 | 110.4 Ų | 110.4 | 86% | 0.856 | 58% | 0.576 | S | S | * | * | trans | 34.5 | 66 | 171.3 | -68.9 | -10.8 | 0 | 0 | 0 | 120.3 | ||||
| 865 | M | 43.3 | Very low | 50.5 | Low | 70 Ų | 70 | 108 Ų | 108 | 35% | 0.345 | 57% | 0.567 | S | S | . | * | trans | -92.9 | 143.6 | 155.6 | -74 | -83.2 | -82.2 | 0 | 0 | 109.7 | Y863 A869 K870 | Y863-M865 PolarHBondContact O-N 3.49Å; M865-A869 HydrophobicContact CE-CB 3.77Å; M865-K870 HydrophobicContact CB-CB 4.14Å; M865-K870 HydrophobicContact CB-CD 4.3Å; M865-K870 HydrophobicContact CB-CG 4.12Å | ||
| 866 | E | 45.8 | Very low | 51.7 | Low | 152 Ų | 152 | 107.4 Ų | 107.4 | 71% | 0.71 | 56% | 0.561 | S | S | * | * | trans | -52.2 | 142.4 | 168.9 | -86.6 | -172.3 | 165 | 0 | 0 | 110.8 | A868 A869 K870 | E866-A868 PolarHBondContact O-N 3.19Å; E866-A869 PolarHBondContact O-N 2.68Å; E866-A869 VanDerWaalsContact O-N 3.11Å; E866-K870 PolarHBondContact O-N 3.31Å; E866-K870 VanDerWaalsContact O-N 3.12Å | ||
| 867 | P | 46.6 | Very low | 53.3 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 75% | 0.747 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -54.2 | -32.1 | -174.4 | -25.2 | 32.3 | 0 | 0 | 0 | 114.2 | K871 | P867-K871 WeakPolarHBondContact O-CB 3.46Å; P867-K871 PolarHBondContact O-N 2.82Å |
| 868 | A | 51.9 | Low | 55.6 | Low | 72 Ų | 72 | 103.2 Ų | 103.2 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.9 | -44.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E866 K870 K871 C872 | E866-A868 PolarHBondContact O-N 3.19Å; A868-K870 VanDerWaalsContact C-N 3.35Å; A868-K870 PolarHBondContact O-N 3.28Å; A868-K871 PolarHBondContact O-N 3.38Å; A868-C872 PolarHBondContact O-N 3.39Å |
| 869 | A | 54.1 | Low | 58 | Low | 39 Ų | 39 | 101.2 Ų | 101.2 | 32% | 0.322 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M865 E866 K871 C872 Y873 | M865-A869 HydrophobicContact CE-CB 3.77Å; E866-A869 PolarHBondContact O-N 2.68Å; E866-A869 VanDerWaalsContact O-N 3.11Å; A869-K871 VanDerWaalsContact C-N 3.34Å; A869-K871 PolarHBondContact O-N 2.93Å; A869-C872 PolarHBondContact O-N 3.11Å; A869-Y873 WeakPolarHBondContact O-CB 3.27Å; A869-Y873 PolarHBondContact O-N 2.84Å |
| 870 | K | 59.8 | Low | 60.4 | Low | 100 Ų | 100 | 95.9 Ų | 95.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.7 | -141.5 | 174.6 | -170.3 | 175.4 | 0 | 111.9 | M865 E866 A868 L874 | M865-K870 HydrophobicContact CB-CB 4.14Å; M865-K870 HydrophobicContact CB-CD 4.3Å; M865-K870 HydrophobicContact CB-CG 4.12Å; E866-K870 PolarHBondContact O-N 3.31Å; E866-K870 VanDerWaalsContact O-N 3.12Å; A868-K870 VanDerWaalsContact C-N 3.35Å; A868-K870 PolarHBondContact O-N 3.28Å; K870-L874 WeakPolarHBondContact O-CD1 3.44Å; K870-L874 PolarHBondContact O-N 3.12Å; K870-L874 VanDerWaalsContact O-N 3.13Å |
| 871 | K | 64.6 | Low | 62.9 | Low | 146 Ų | 146 | 98.5 Ų | 98.5 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 177.4 | -168.8 | 179.3 | 179.8 | -175.4 | 0 | 112.1 | P867 A868 A869 E875 | P867-K871 WeakPolarHBondContact O-CB 3.46Å; P867-K871 PolarHBondContact O-N 2.82Å; A868-K871 PolarHBondContact O-N 3.38Å; A869-K871 VanDerWaalsContact C-N 3.34Å; A869-K871 PolarHBondContact O-N 2.93Å; K871-E875 WeakPolarHBondContact O-CB 3.35Å; K871-E875 WeakPolarHBondContact O-CG 3.37Å; K871-E875 PolarHBondContact O-N 3.3Å |
| 872 | C | 65.5 | Low | 65.7 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 58% | 0.581 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66 | -39.8 | 177.7 | -162.6 | 0 | 0 | 0 | 0 | 112.3 | A868 A869 R876 | A868-C872 PolarHBondContact O-N 3.39Å; A869-C872 PolarHBondContact O-N 3.11Å; C872-R876 WeakPolarHBondContact O-CB 3.21Å; C872-R876 PolarHBondContact O-N 2.7Å |
| 873 | Y | 68.1 | Low | 67.9 | Low | 66 Ų | 66 | 90.4 Ų | 90.4 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 176.8 | -178.5 | -94.3 | 0 | 0 | 0 | 112.5 | A869 E875 R876 E877 | A869-Y873 WeakPolarHBondContact O-CB 3.27Å; A869-Y873 PolarHBondContact O-N 2.84Å; Y873-E875 PolarHBondContact O-N 2.85Å; Y873-R876 PolarHBondContact O-N 3.19Å; Y873-E877 PolarHBondContact O-N 3.39Å |
| 874 | L | 75.7 | Confident | 70.6 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.9 | -84.7 | 153.5 | 0 | 0 | 0 | 112.1 | K870 R876 Q878 | K870-L874 WeakPolarHBondContact O-CD1 3.44Å; K870-L874 PolarHBondContact O-N 3.12Å; K870-L874 VanDerWaalsContact O-N 3.13Å; L874-R876 VanDerWaalsContact C-N 3.32Å; L874-R876 PolarHBondContact O-N 3.41Å; L874-Q878 VanDerWaalsContact O-CB 3.25Å; L874-Q878 WeakPolarHBondContact O-CB 3.22Å; L874-Q878 PolarHBondContact O-N 3.48Å; L874-Q878 VanDerWaalsContact O-N 3.09Å |
| 875 | E | 81.4 | Confident | 73 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.8 | -80.6 | -95.3 | 174.1 | 0 | 0 | 111.5 | K871 Y873 G879 N919 S920 | K871-E875 WeakPolarHBondContact O-CB 3.35Å; K871-E875 WeakPolarHBondContact O-CG 3.37Å; K871-E875 PolarHBondContact O-N 3.3Å; Y873-E875 PolarHBondContact O-N 2.85Å; E875-G879 PolarHBondContact O-N 3.18Å; E875-N919 PolarHBondContact O-ND2 3.15Å; E875-N919 PolarHBondContact O-OD1 2.94Å; E875-N919 PolarHBondContact OE2-ND2 2.74Å; E875-N919 VanDerWaalsContact OE2-ND2 3.12Å; E875-S920 PolarHBondContact OE2-N 3.37Å; E875-S920 PolarHBondContact OE2-OG 3.5Å; E875-S920 VanDerWaalsContact OE2-OG 3.09Å |
| 876 | R | 79.4 | Confident | 75.4 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.6 | -50.8 | 178.3 | 175.6 | 173.4 | 165.7 | -175.7 | -4.3 | 112.8 | E853 C872 Y873 L874 Q878 G879 E880 F921 | E853-R876 PolarHBondContact O-NH2 3.49Å; C872-R876 WeakPolarHBondContact O-CB 3.21Å; C872-R876 PolarHBondContact O-N 2.7Å; Y873-R876 PolarHBondContact O-N 3.19Å; L874-R876 VanDerWaalsContact C-N 3.32Å; L874-R876 PolarHBondContact O-N 3.41Å; R876-Q878 PolarHBondContact O-N 3.32Å; R876-G879 CarbonylContact O-C 3.55Å; R876-G879 WeakPolarHBondContact O-CA 3.43Å; R876-G879 PolarHBondContact O-N 3.09Å; R876-E880 HydrophobicContact CG-CG 4.48Å; R876-E880 IonicContact CZ-OE1 2.81Å; R876-E880 IonicContact NE-OE1 3.88Å; R876-E880 PolarHBondContact NE-OE1 3.39Å; R876-E880 IonicContact NH2-OE1 3.12Å; R876-E880 PolarHBondContact NH2-OE1 3.11Å; R876-E880 PolarHBondContact O-N 2.92Å; R876-F921 HydrophobicContact CB-CB 4.37Å; R876-F921 HydrophobicContact CB-CD2 4.09Å; R876-F921 HydrophobicContact CB-CG 4.1Å; R876-F921 HydrophobicContact CG-CD1 4.15Å; R876-F921 HydrophobicContact CG-CD2 3.77Å; R876-F921 HydrophobicContact CG-CE1 4.08Å; R876-F921 HydrophobicContact CG-CE2 3.7Å; R876-F921 HydrophobicContact CG-CG 3.98Å; R876-F921 HydrophobicContact CG-CZ 3.85Å |
| 877 | E | 81.8 | Confident | 77.6 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 179.1 | -167.1 | -158.5 | 161.8 | 0 | 0 | 110.9 | Y873 K881 | Y873-E877 PolarHBondContact O-N 3.39Å; E877-K881 WeakPolarHBondContact O-CG 3.24Å; E877-K881 PolarHBondContact O-N 3.35Å; E877-K881 WeakPolarHBondContact OE1-CE 3.33Å; E877-K881 IonicContact OE1-NZ 3.49Å; E877-K881 PolarHBondContact OE1-NZ 3.05Å |
| 878 | Q | 85.8 | Confident | 79.8 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 175.4 | -164.2 | 165.5 | 4.6 | 0 | 0 | 111.7 | L874 R876 K881 I882 | L874-Q878 VanDerWaalsContact O-CB 3.25Å; L874-Q878 WeakPolarHBondContact O-CB 3.22Å; L874-Q878 PolarHBondContact O-N 3.48Å; L874-Q878 VanDerWaalsContact O-N 3.09Å; R876-Q878 PolarHBondContact O-N 3.32Å; Q878-K881 PolarHBondContact O-N 3.39Å; Q878-I882 HydrophobicContact CG-CD1 4.49Å; Q878-I882 WeakPolarHBondContact O-CD1 3.47Å; Q878-I882 WeakPolarHBondContact O-CG1 3.47Å; Q878-I882 PolarHBondContact O-N 2.92Å |
| 879 | G | 87.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E875 R876 K881 I882 I883 N919 | E875-G879 PolarHBondContact O-N 3.18Å; R876-G879 CarbonylContact O-C 3.55Å; R876-G879 WeakPolarHBondContact O-CA 3.43Å; R876-G879 PolarHBondContact O-N 3.09Å; G879-K881 PolarHBondContact O-N 3.11Å; G879-I882 WeakPolarHBondContact O-CB 3.45Å; G879-I882 PolarHBondContact O-N 3.21Å; G879-I882 VanDerWaalsContact O-N 3.13Å; G879-I883 WeakPolarHBondContact O-CG1 3.42Å; G879-I883 PolarHBondContact O-N 2.95Å; G879-N919 VanDerWaalsContact CA-OD1 3.28Å; G879-N919 WeakPolarHBondContact CA-OD1 3.3Å |
| 880 | E | 87.8 | Confident | 83.5 | Confident | 77 Ų | 77 | 73 Ų | 73 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.5 | -71 | 173.7 | -173.4 | 0 | 0 | 111.3 | R876 I882 I883 Q884 F921 | R876-E880 HydrophobicContact CG-CG 4.48Å; R876-E880 IonicContact CZ-OE1 2.81Å; R876-E880 IonicContact NE-OE1 3.88Å; R876-E880 PolarHBondContact NE-OE1 3.39Å; R876-E880 IonicContact NH2-OE1 3.12Å; R876-E880 PolarHBondContact NH2-OE1 3.11Å; R876-E880 PolarHBondContact O-N 2.92Å; E880-I882 VanDerWaalsContact C-N 3.32Å; E880-I882 PolarHBondContact O-N 3.36Å; E880-I883 PolarHBondContact O-N 3.5Å; E880-Q884 WeakPolarHBondContact O-CB 3.46Å; E880-Q884 PolarHBondContact O-N 3.35Å; E880-F921 HydrophobicContact CG-CE1 3.79Å; E880-F921 HydrophobicContact CG-CZ 4.31Å |
| 881 | K | 89.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 173.8 | -72 | 173 | -172.3 | 166.4 | 0 | 112.2 | E877 Q878 G879 Q884 E885 | E877-K881 WeakPolarHBondContact O-CG 3.24Å; E877-K881 PolarHBondContact O-N 3.35Å; E877-K881 WeakPolarHBondContact OE1-CE 3.33Å; E877-K881 IonicContact OE1-NZ 3.49Å; E877-K881 PolarHBondContact OE1-NZ 3.05Å; Q878-K881 PolarHBondContact O-N 3.39Å; G879-K881 PolarHBondContact O-N 3.11Å; K881-Q884 PolarHBondContact O-N 3.48Å; K881-E885 WeakPolarHBondContact O-CB 3.48Å; K881-E885 PolarHBondContact O-N 2.88Å |
| 882 | I | 91.2 | Very high | 86.1 | Confident | 14 Ų | 14 | 76.4 Ų | 76.4 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.2 | -68.5 | 164.5 | 0 | 0 | 0 | 111 | Q878 G879 E880 E885 F886 V914 K917 N919 V922 | Q878-I882 HydrophobicContact CG-CD1 4.49Å; Q878-I882 WeakPolarHBondContact O-CD1 3.47Å; Q878-I882 WeakPolarHBondContact O-CG1 3.47Å; Q878-I882 PolarHBondContact O-N 2.92Å; G879-I882 WeakPolarHBondContact O-CB 3.45Å; G879-I882 PolarHBondContact O-N 3.21Å; G879-I882 VanDerWaalsContact O-N 3.13Å; E880-I882 VanDerWaalsContact C-N 3.32Å; E880-I882 PolarHBondContact O-N 3.36Å; I882-E885 PolarHBondContact O-N 2.6Å; I882-F886 WeakPolarHBondContact O-CB 3.36Å; I882-F886 PolarHBondContact O-N 3.16Å; I882-V914 HydrophobicContact CG2-CG1 4.1Å; I882-V914 HydrophobicContact CG2-CG2 4.27Å; I882-K917 HydrophobicContact CB-CD 4.33Å; I882-K917 HydrophobicContact CD1-CB 4Å; I882-K917 HydrophobicContact CD1-CD 3.63Å; I882-K917 HydrophobicContact CD1-CG 4.45Å; I882-K917 HydrophobicContact CG1-CD 3.57Å; I882-K917 HydrophobicContact CG2-CD 3.82Å; I882-N919 HydrophobicContact CD1-CB 3.97Å; I882-V922 HydrophobicContact CB-CG2 4.45Å; I882-V922 HydrophobicContact CG2-CG2 4.42Å |
| 883 | I | 91 | Very high | 87.2 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.3 | -66.9 | 167.5 | 0 | 0 | 0 | 110.1 | G879 E880 E885 F886 L887 F921 V922 I925 | G879-I883 WeakPolarHBondContact O-CG1 3.42Å; G879-I883 PolarHBondContact O-N 2.95Å; E880-I883 PolarHBondContact O-N 3.5Å; I883-E885 VanDerWaalsContact C-N 3.34Å; I883-E885 PolarHBondContact O-N 3.45Å; I883-F886 WeakPolarHBondContact O-CB 3.33Å; I883-F886 PolarHBondContact O-N 3.35Å; I883-L887 HydrophobicContact CG2-CD1 3.93Å; I883-L887 HydrophobicContact CG2-CG 4.25Å; I883-L887 WeakPolarHBondContact O-CB 3.43Å; I883-L887 VanDerWaalsContact O-CG 3.32Å; I883-L887 WeakPolarHBondContact O-CG 3.36Å; I883-L887 PolarHBondContact O-N 3.23Å; I883-F921 HydrophobicContact CD1-CE1 4.33Å; I883-V922 HydrophobicContact CD1-CG2 4.16Å; I883-V922 HydrophobicContact CG1-CG2 4.07Å; I883-I925 HydrophobicContact CD1-CD1 3.59Å |
| 884 | Q | 90.7 | Very high | 88.2 | Confident | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 177.9 | -172.6 | 66.3 | -3.1 | 0 | 0 | 111.8 | E880 K881 L887 S888 | E880-Q884 WeakPolarHBondContact O-CB 3.46Å; E880-Q884 PolarHBondContact O-N 3.35Å; K881-Q884 PolarHBondContact O-N 3.48Å; Q884-L887 PolarHBondContact O-N 3.5Å; Q884-S888 WeakPolarHBondContact O-CB 3.04Å; Q884-S888 PolarHBondContact O-N 3.2Å; Q884-S888 PolarHBondContact O-OG 2.81Å |
| 885 | E | 91.9 | Very high | 88.6 | Confident | 73 Ų | 73 | 75 Ų | 75 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 173.9 | -167.3 | -165.1 | 155.3 | 0 | 0 | 110.7 | K881 I882 I883 S888 K889 K917 | K881-E885 WeakPolarHBondContact O-CB 3.48Å; K881-E885 PolarHBondContact O-N 2.88Å; I882-E885 PolarHBondContact O-N 2.6Å; I883-E885 VanDerWaalsContact C-N 3.34Å; I883-E885 PolarHBondContact O-N 3.45Å; E885-S888 PolarHBondContact O-N 3.28Å; E885-S888 PolarHBondContact O-OG 3.33Å; E885-K889 WeakPolarHBondContact O-CG 3.19Å; E885-K889 PolarHBondContact O-N 3.43Å; E885-K889 VanDerWaalsContact OE1-CE 3.25Å; E885-K889 WeakPolarHBondContact OE1-CE 3.45Å; E885-K889 IonicContact OE1-NZ 3.08Å; E885-K889 PolarHBondContact OE1-NZ 3.1Å; E885-K917 IonicContact OE2-NZ 2.66Å; E885-K917 PolarHBondContact OE2-NZ 3.19Å |
| 886 | F | 93.5 | Very high | 88.8 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 20% | 0.197 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 176.7 | 167.6 | -100 | 0 | 0 | 0 | 112.1 | I882 I883 S888 K889 V890 L910 K911 V914 | I882-F886 WeakPolarHBondContact O-CB 3.36Å; I882-F886 PolarHBondContact O-N 3.16Å; I883-F886 WeakPolarHBondContact O-CB 3.33Å; I883-F886 PolarHBondContact O-N 3.35Å; F886-S888 VanDerWaalsContact C-N 3.28Å; F886-S888 PolarHBondContact O-N 2.78Å; F886-K889 PolarHBondContact O-N 3.08Å; F886-V890 HydrophobicContact CD2-CG2 4.29Å; F886-V890 HydrophobicContact CE1-CG2 4.18Å; F886-V890 HydrophobicContact CE2-CG2 3.86Å; F886-V890 HydrophobicContact CZ-CG2 3.8Å; F886-V890 WeakPolarHBondContact O-CG2 3.5Å; F886-V890 PolarHBondContact O-N 3.49Å; F886-L910 HydrophobicContact CD2-CB 3.93Å; F886-L910 HydrophobicContact CE2-CB 3.72Å; F886-K911 HydrophobicContact CE2-CG 3.98Å; F886-K911 HydrophobicContact CZ-CG 4.04Å; F886-V914 HydrophobicContact CB-CG2 3.61Å; F886-V914 HydrophobicContact CD2-CG2 3.61Å; F886-V914 HydrophobicContact CG-CG2 3.73Å |
| 887 | L | 92.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 37% | 0.372 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 178.4 | -69.7 | 175.4 | 0 | 0 | 0 | 111.5 | I883 Q884 V890 K891 | I883-L887 HydrophobicContact CG2-CD1 3.93Å; I883-L887 HydrophobicContact CG2-CG 4.25Å; I883-L887 WeakPolarHBondContact O-CB 3.43Å; I883-L887 VanDerWaalsContact O-CG 3.32Å; I883-L887 WeakPolarHBondContact O-CG 3.36Å; I883-L887 PolarHBondContact O-N 3.23Å; Q884-L887 PolarHBondContact O-N 3.5Å; L887-V890 PolarHBondContact O-N 3.08Å; L887-K891 WeakPolarHBondContact O-CB 3.35Å; L887-K891 VanDerWaalsContact O-CG 3.32Å; L887-K891 WeakPolarHBondContact O-CG 3.37Å; L887-K891 PolarHBondContact O-N 3.2Å |
| 888 | S | 92.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 82 Ų | 82 | 28% | 0.28 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.2 | 75.9 | 0 | 0 | 0 | 0 | 112 | Q884 E885 F886 V890 K891 Q892 | Q884-S888 WeakPolarHBondContact O-CB 3.04Å; Q884-S888 PolarHBondContact O-N 3.2Å; Q884-S888 PolarHBondContact O-OG 2.81Å; E885-S888 PolarHBondContact O-N 3.28Å; E885-S888 PolarHBondContact O-OG 3.33Å; F886-S888 VanDerWaalsContact C-N 3.28Å; F886-S888 PolarHBondContact O-N 2.78Å; S888-V890 VanDerWaalsContact C-N 3.31Å; S888-V890 PolarHBondContact O-N 3.32Å; S888-K891 PolarHBondContact O-N 2.95Å; S888-Q892 WeakPolarHBondContact O-CB 3.46Å; S888-Q892 VanDerWaalsContact O-CG 3.24Å; S888-Q892 WeakPolarHBondContact O-CG 3.42Å; S888-Q892 PolarHBondContact O-N 2.9Å |
| 889 | K | 90.9 | Very high | 89.5 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 30% | 0.3 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 174.2 | -75.8 | 176.1 | 170.1 | 170.6 | 0 | 112.3 | E885 F886 M893 L910 E913 | E885-K889 WeakPolarHBondContact O-CG 3.19Å; E885-K889 PolarHBondContact O-N 3.43Å; E885-K889 VanDerWaalsContact OE1-CE 3.25Å; E885-K889 WeakPolarHBondContact OE1-CE 3.45Å; E885-K889 IonicContact OE1-NZ 3.08Å; E885-K889 PolarHBondContact OE1-NZ 3.1Å; F886-K889 PolarHBondContact O-N 3.08Å; K889-M893 PolarHBondContact O-N 3.47Å; K889-L910 HydrophobicContact CB-CD1 4.12Å; K889-L910 HydrophobicContact CB-CD2 3.91Å; K889-L910 HydrophobicContact CD-CD2 3.72Å; K889-L910 HydrophobicContact CG-CD2 4.39Å; K889-E913 IonicContact NZ-OE2 2.72Å; K889-E913 PolarHBondContact NZ-OE2 2.8Å |
| 890 | V | 91.4 | Very high | 89.4 | Confident | 45 Ų | 45 | 87.1 Ų | 87.1 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 176 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | F886 L887 S888 Q892 M893 L907 L910 | F886-V890 HydrophobicContact CD2-CG2 4.29Å; F886-V890 HydrophobicContact CE1-CG2 4.18Å; F886-V890 HydrophobicContact CE2-CG2 3.86Å; F886-V890 HydrophobicContact CZ-CG2 3.8Å; F886-V890 WeakPolarHBondContact O-CG2 3.5Å; F886-V890 PolarHBondContact O-N 3.49Å; L887-V890 PolarHBondContact O-N 3.08Å; S888-V890 VanDerWaalsContact C-N 3.31Å; S888-V890 PolarHBondContact O-N 3.32Å; V890-Q892 VanDerWaalsContact C-N 3.33Å; V890-Q892 PolarHBondContact O-N 3.1Å; V890-M893 VanDerWaalsContact O-CB 3.23Å; V890-M893 WeakPolarHBondContact O-CB 3.29Å; V890-M893 PolarHBondContact O-N 2.9Å; V890-L907 HydrophobicContact CG1-CD2 4.23Å; V890-L907 HydrophobicContact CG2-CD2 4.07Å; V890-L910 HydrophobicContact CG2-CD1 3.77Å |
| 891 | K | 90.3 | Very high | 89.4 | Confident | 164 Ų | 164 | 90.6 Ų | 90.6 | 71% | 0.713 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.8 | -33.1 | 177.4 | -74.7 | 175.3 | -177.1 | 177.8 | 0 | 113.3 | L887 S888 M893 | L887-K891 WeakPolarHBondContact O-CB 3.35Å; L887-K891 VanDerWaalsContact O-CG 3.32Å; L887-K891 WeakPolarHBondContact O-CG 3.37Å; L887-K891 PolarHBondContact O-N 3.2Å; S888-K891 PolarHBondContact O-N 2.95Å; K891-M893 PolarHBondContact O-N 3.46Å |
| 892 | Q | 90.5 | Very high | 89.2 | Confident | 153 Ų | 153 | 88.5 Ų | 88.5 | 72% | 0.715 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.3 | 177.7 | -69.5 | 172 | 12.4 | 0 | 0 | 113.2 | S888 V890 | S888-Q892 WeakPolarHBondContact O-CB 3.46Å; S888-Q892 VanDerWaalsContact O-CG 3.24Å; S888-Q892 WeakPolarHBondContact O-CG 3.42Å; S888-Q892 PolarHBondContact O-N 2.9Å; V890-Q892 VanDerWaalsContact C-N 3.33Å; V890-Q892 PolarHBondContact O-N 3.1Å |
| 893 | M | 88.8 | Confident | 89 | Confident | 19 Ų | 19 | 89.9 Ų | 89.9 | 9% | 0.094 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -72.3 | 128.8 | 178.6 | -166.1 | 178.9 | -57.2 | 0 | 0 | 110.1 | K889 V890 K891 F895 M898 K906 L910 | K889-M893 PolarHBondContact O-N 3.47Å; V890-M893 VanDerWaalsContact O-CB 3.23Å; V890-M893 WeakPolarHBondContact O-CB 3.29Å; V890-M893 PolarHBondContact O-N 2.9Å; K891-M893 PolarHBondContact O-N 3.46Å; M893-F895 VanDerWaalsContact O-CD1 3.28Å; M893-F895 WeakPolarHBondContact O-CD1 3.42Å; M893-F895 PolarHBondContact O-N 2.88Å; M893-M898 HydrophobicContact CG-SD 3.71Å; M893-M898 HydrophobicContact SD-CE 4.5Å; M893-M898 HydrophobicContact SD-SD 4.22Å; M893-K906 HydrophobicContact CE-CB 3.96Å; M893-K906 HydrophobicContact CE-CG 3.49Å; M893-K906 VanDerWaalsContact CE-CG 3.49Å; M893-K906 HydrophobicContact SD-CB 4.05Å; M893-K906 HydrophobicContact SD-CG 3.98Å; M893-L910 HydrophobicContact CE-CD1 3.38Å; M893-L910 HydrophobicContact CE-CG 4.48Å |
| 894 | P | 87.3 | Confident | 88.9 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | trans | -78.7 | 71.3 | -179.5 | 32.4 | -35.2 | 0 | 0 | 0 | 111.1 | T896 E897 M898 | P894-T896 PolarHBondContact O-N 3.46Å; P894-T896 VanDerWaalsContact O-N 3.11Å; P894-E897 HydrophobicContact CB-CB 4.37Å; P894-E897 PolarHBondContact O-N 3.12Å; P894-M898 HydrophobicContact CG-CG 4.33Å; P894-M898 HydrophobicContact CG-SD 4.09Å; P894-M898 WeakPolarHBondContact O-CG 3.15Å; P894-M898 PolarHBondContact O-N 3.07Å | ||
| 895 | F | 86 | Confident | 88.8 | Confident | 139 Ų | 139 | 90.1 Ų | 90.1 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.4 | -177 | 55 | -92.4 | 0 | 0 | 0 | 113.7 | M893 E897 I903 | M893-F895 VanDerWaalsContact O-CD1 3.28Å; M893-F895 WeakPolarHBondContact O-CD1 3.42Å; M893-F895 PolarHBondContact O-N 2.88Å; F895-E897 VanDerWaalsContact C-N 3.32Å; F895-I903 HydrophobicContact CB-CD1 4.48Å |
| 896 | T | 85.4 | Confident | 88.6 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.6 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | P894 | P894-T896 PolarHBondContact O-N 3.46Å; P894-T896 VanDerWaalsContact O-N 3.11Å |
| 897 | E | 86.9 | Confident | 88.4 | Confident | 165 Ų | 165 | 91 Ų | 91 | 77% | 0.771 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -0.3 | -174 | -60.6 | 178.1 | -172.9 | 0 | 0 | 112.6 | P894 F895 | P894-E897 HydrophobicContact CB-CB 4.37Å; P894-E897 PolarHBondContact O-N 3.12Å; F895-E897 VanDerWaalsContact C-N 3.32Å |
| 898 | M | 87.1 | Confident | 88.3 | Confident | 53 Ų | 53 | 95.2 Ų | 95.2 | 26% | 0.261 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -108.8 | 146.2 | -175.4 | -67 | 179.3 | 72 | 0 | 0 | 111.8 | M893 P894 N902 I903 K906 | M893-M898 HydrophobicContact CG-SD 3.71Å; M893-M898 HydrophobicContact SD-CE 4.5Å; M893-M898 HydrophobicContact SD-SD 4.22Å; P894-M898 HydrophobicContact CG-CG 4.33Å; P894-M898 HydrophobicContact CG-SD 4.09Å; P894-M898 WeakPolarHBondContact O-CG 3.15Å; P894-M898 PolarHBondContact O-N 3.07Å; M898-N902 HydrophobicContact CB-CB 4.47Å; M898-N902 HydrophobicContact CE-CB 3.83Å; M898-I903 HydrophobicContact CB-CD1 4.16Å; M898-I903 HydrophobicContact CB-CG1 3.63Å; M898-K906 HydrophobicContact CE-CB 4.12Å |
| 899 | S | 87.6 | Confident | 88.1 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 49% | 0.485 | S | S | . | . | trans | -71.2 | 154 | 168.5 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | E901 N902 I903 | S899-E901 PolarHBondContact O-N 2.99Å; S899-N902 PolarHBondContact O-N 2.82Å; S899-N902 WeakPolarHBondContact OG-CB 3.45Å; S899-N902 VanDerWaalsContact OG-CG 3.27Å; S899-N902 PolarHBondContact OG-N 3.5Å; S899-N902 PolarHBondContact OG-ND2 3.17Å; S899-I903 WeakPolarHBondContact O-CG1 3.38Å; S899-I903 PolarHBondContact O-N 2.84Å | ||
| 900 | E | 85.9 | Confident | 88.1 | Confident | 168 Ų | 168 | 94.8 Ų | 94.8 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.2 | -35.5 | -180 | -166.3 | 164.5 | -164.6 | 0 | 0 | 112.8 | T904 | E900-T904 WeakPolarHBondContact O-CB 3.17Å; E900-T904 PolarHBondContact O-N 2.92Å; E900-T904 PolarHBondContact O-OG1 2.96Å |
| 901 | E | 87.4 | Confident | 88.1 | Confident | 149 Ų | 149 | 98.8 Ų | 98.8 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67 | -43.2 | 175.3 | -149.9 | 170.4 | -160.7 | 0 | 0 | 111.7 | S899 T904 I905 | S899-E901 PolarHBondContact O-N 2.99Å; E901-T904 PolarHBondContact O-N 2.64Å; E901-I905 HydrophobicContact CG-CD1 4.49Å; E901-I905 VanDerWaalsContact O-CG1 3.27Å; E901-I905 WeakPolarHBondContact O-CG1 3.32Å; E901-I905 PolarHBondContact O-N 3.03Å |
| 902 | N | 84.8 | Confident | 88 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 177.4 | -76.6 | -13.8 | 0 | 0 | 0 | 112.3 | M898 S899 K906 | M898-N902 HydrophobicContact CB-CB 4.47Å; M898-N902 HydrophobicContact CE-CB 3.83Å; S899-N902 PolarHBondContact O-N 2.82Å; S899-N902 WeakPolarHBondContact OG-CB 3.45Å; S899-N902 VanDerWaalsContact OG-CG 3.27Å; S899-N902 PolarHBondContact OG-N 3.5Å; S899-N902 PolarHBondContact OG-ND2 3.17Å; N902-K906 VanDerWaalsContact O-CB 3.24Å; N902-K906 WeakPolarHBondContact O-CB 3.21Å; N902-K906 PolarHBondContact O-N 3.08Å |
| 903 | I | 87.4 | Confident | 88 | Confident | 42 Ų | 42 | 90 Ų | 90 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.9 | -65.6 | 168.6 | 0 | 0 | 0 | 109.8 | F895 M898 S899 K906 L907 | F895-I903 HydrophobicContact CB-CD1 4.48Å; M898-I903 HydrophobicContact CB-CD1 4.16Å; M898-I903 HydrophobicContact CB-CG1 3.63Å; S899-I903 WeakPolarHBondContact O-CG1 3.38Å; S899-I903 PolarHBondContact O-N 2.84Å; I903-K906 PolarHBondContact O-N 3.1Å; I903-L907 HydrophobicContact CG2-CD1 3.9Å; I903-L907 WeakPolarHBondContact O-CB 3.33Å; I903-L907 PolarHBondContact O-N 3.17Å |
| 904 | T | 88.6 | Confident | 88.1 | Confident | 89 Ų | 89 | 90 Ų | 90 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | E900 E901 K908 | E900-T904 WeakPolarHBondContact O-CB 3.17Å; E900-T904 PolarHBondContact O-N 2.92Å; E900-T904 PolarHBondContact O-OG1 2.96Å; E901-T904 PolarHBondContact O-N 2.64Å; T904-K908 WeakPolarHBondContact O-CB 3.38Å; T904-K908 PolarHBondContact O-N 3.27Å |
| 905 | I | 88.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.6 | -68.3 | 165.3 | 0 | 0 | 0 | 110.3 | E901 K908 Q909 | E901-I905 HydrophobicContact CG-CD1 4.49Å; E901-I905 VanDerWaalsContact O-CG1 3.27Å; E901-I905 WeakPolarHBondContact O-CG1 3.32Å; E901-I905 PolarHBondContact O-N 3.03Å; I905-K908 PolarHBondContact O-N 3.5Å; I905-Q909 WeakPolarHBondContact O-CG 3.38Å; I905-Q909 PolarHBondContact O-N 2.97Å |
| 906 | K | 87.8 | Confident | 88.4 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | -177 | -165 | 70.8 | -164.7 | 162.8 | 0 | 112.4 | M893 M898 N902 I903 K908 Q909 L910 | M893-K906 HydrophobicContact CE-CB 3.96Å; M893-K906 HydrophobicContact CE-CG 3.49Å; M893-K906 VanDerWaalsContact CE-CG 3.49Å; M893-K906 HydrophobicContact SD-CB 4.05Å; M893-K906 HydrophobicContact SD-CG 3.98Å; M898-K906 HydrophobicContact CE-CB 4.12Å; N902-K906 VanDerWaalsContact O-CB 3.24Å; N902-K906 WeakPolarHBondContact O-CB 3.21Å; N902-K906 PolarHBondContact O-N 3.08Å; I903-K906 PolarHBondContact O-N 3.1Å; K906-K908 VanDerWaalsContact C-N 3.34Å; K906-K908 PolarHBondContact O-N 3.09Å; K906-Q909 WeakPolarHBondContact O-CB 3.19Å; K906-Q909 PolarHBondContact O-N 2.88Å; K906-L910 WeakPolarHBondContact O-CG 3.44Å; K906-L910 PolarHBondContact O-N 2.88Å |
| 907 | L | 88.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 87.8 Ų | 87.8 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.4 | -83.9 | 166.3 | 0 | 0 | 0 | 112 | V890 I903 Q909 L910 K911 | V890-L907 HydrophobicContact CG1-CD2 4.23Å; V890-L907 HydrophobicContact CG2-CD2 4.07Å; I903-L907 HydrophobicContact CG2-CD1 3.9Å; I903-L907 WeakPolarHBondContact O-CB 3.33Å; I903-L907 PolarHBondContact O-N 3.17Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; L907-L910 PolarHBondContact O-N 3.49Å; L907-K911 WeakPolarHBondContact O-CB 3.32Å; L907-K911 WeakPolarHBondContact O-CG 3.1Å; L907-K911 PolarHBondContact O-N 3.03Å |
| 908 | K | 90.2 | Very high | 88.7 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 177.3 | -160.4 | 175.7 | -175.5 | 178.1 | 0 | 111.7 | T904 I905 K906 A912 | T904-K908 WeakPolarHBondContact O-CB 3.38Å; T904-K908 PolarHBondContact O-N 3.27Å; I905-K908 PolarHBondContact O-N 3.5Å; K906-K908 VanDerWaalsContact C-N 3.34Å; K906-K908 PolarHBondContact O-N 3.09Å; K908-A912 WeakPolarHBondContact O-CB 3.06Å; K908-A912 PolarHBondContact O-N 2.8Å |
| 909 | Q | 89.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 173 | -72.8 | 175.9 | -1.2 | 0 | 0 | 112 | I905 K906 L907 K911 A912 E913 | I905-Q909 WeakPolarHBondContact O-CG 3.38Å; I905-Q909 PolarHBondContact O-N 2.97Å; K906-Q909 WeakPolarHBondContact O-CB 3.19Å; K906-Q909 PolarHBondContact O-N 2.88Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; Q909-K911 VanDerWaalsContact C-N 3.31Å; Q909-K911 PolarHBondContact O-N 3.38Å; Q909-A912 WeakPolarHBondContact O-CB 3.23Å; Q909-A912 PolarHBondContact O-N 3.43Å; Q909-A912 VanDerWaalsContact O-N 3.07Å; Q909-E913 PolarHBondContact O-N 2.91Å |
| 910 | L | 90.4 | Very high | 88.8 | Confident | 7 Ų | 7 | 83.8 Ų | 83.8 | 4% | 0.037 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 179.1 | -70.3 | 178.8 | 0 | 0 | 0 | 112.2 | F886 K889 V890 M893 K906 L907 E913 V914 | F886-L910 HydrophobicContact CD2-CB 3.93Å; F886-L910 HydrophobicContact CE2-CB 3.72Å; K889-L910 HydrophobicContact CB-CD1 4.12Å; K889-L910 HydrophobicContact CB-CD2 3.91Å; K889-L910 HydrophobicContact CD-CD2 3.72Å; K889-L910 HydrophobicContact CG-CD2 4.39Å; V890-L910 HydrophobicContact CG2-CD1 3.77Å; M893-L910 HydrophobicContact CE-CD1 3.38Å; M893-L910 HydrophobicContact CE-CG 4.48Å; K906-L910 WeakPolarHBondContact O-CG 3.44Å; K906-L910 PolarHBondContact O-N 2.88Å; L907-L910 PolarHBondContact O-N 3.49Å; L910-E913 PolarHBondContact O-N 2.95Å; L910-V914 WeakPolarHBondContact O-CG2 3.42Å; L910-V914 PolarHBondContact O-N 2.94Å |
| 911 | K | 91.4 | Very high | 88.8 | Confident | 128 Ų | 128 | 77 Ų | 77 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 172.4 | -72.2 | 178.5 | -179.6 | -174.9 | 0 | 111.7 | F886 L907 Q909 E913 V914 I915 | F886-K911 HydrophobicContact CE2-CG 3.98Å; F886-K911 HydrophobicContact CZ-CG 4.04Å; L907-K911 WeakPolarHBondContact O-CB 3.32Å; L907-K911 WeakPolarHBondContact O-CG 3.1Å; L907-K911 PolarHBondContact O-N 3.03Å; Q909-K911 VanDerWaalsContact C-N 3.31Å; Q909-K911 PolarHBondContact O-N 3.38Å; K911-E913 VanDerWaalsContact C-N 3.35Å; K911-V914 PolarHBondContact O-N 3.12Å; K911-I915 WeakPolarHBondContact O-CG1 3.47Å; K911-I915 PolarHBondContact O-N 3.04Å; K911-I915 VanDerWaalsContact O-N 3.08Å |
| 912 | A | 88.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K908 Q909 V914 I915 A916 | K908-A912 WeakPolarHBondContact O-CB 3.06Å; K908-A912 PolarHBondContact O-N 2.8Å; Q909-A912 WeakPolarHBondContact O-CB 3.23Å; Q909-A912 PolarHBondContact O-N 3.43Å; Q909-A912 VanDerWaalsContact O-N 3.07Å; A912-V914 VanDerWaalsContact C-N 3.29Å; A912-V914 PolarHBondContact O-N 3.38Å; A912-I915 PolarHBondContact O-N 3.12Å; A912-A916 VanDerWaalsContact O-CB 3.25Å; A912-A916 WeakPolarHBondContact O-CB 3.48Å; A912-A916 PolarHBondContact O-N 3.33Å |
| 913 | E | 90.5 | Very high | 88.9 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 172.8 | -72.6 | 174.4 | -152.2 | 0 | 0 | 111.6 | K889 Q909 L910 K911 K917 | K889-E913 IonicContact NZ-OE2 2.72Å; K889-E913 PolarHBondContact NZ-OE2 2.8Å; Q909-E913 PolarHBondContact O-N 2.91Å; L910-E913 PolarHBondContact O-N 2.95Å; K911-E913 VanDerWaalsContact C-N 3.35Å; E913-K917 PolarHBondContact O-N 3.2Å |
| 914 | V | 90.5 | Very high | 88.8 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I882 F886 L910 K911 A912 A916 K917 V922 | I882-V914 HydrophobicContact CG2-CG1 4.1Å; I882-V914 HydrophobicContact CG2-CG2 4.27Å; F886-V914 HydrophobicContact CB-CG2 3.61Å; F886-V914 HydrophobicContact CD2-CG2 3.61Å; F886-V914 HydrophobicContact CG-CG2 3.73Å; L910-V914 WeakPolarHBondContact O-CG2 3.42Å; L910-V914 PolarHBondContact O-N 2.94Å; K911-V914 PolarHBondContact O-N 3.12Å; A912-V914 VanDerWaalsContact C-N 3.29Å; A912-V914 PolarHBondContact O-N 3.38Å; V914-A916 VanDerWaalsContact C-N 3.3Å; V914-A916 PolarHBondContact O-N 3.49Å; V914-K917 PolarHBondContact O-N 2.92Å; V914-V922 HydrophobicContact CG1-CG1 3.46Å; V914-V922 VanDerWaalsContact CG1-CG1 3.46Å |
| 915 | I | 90.1 | Very high | 88.7 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 45% | 0.451 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.7 | -64.1 | -70.2 | 0 | 0 | 0 | 111.2 | K911 A912 K917 N918 I926 | K911-I915 WeakPolarHBondContact O-CG1 3.47Å; K911-I915 PolarHBondContact O-N 3.04Å; K911-I915 VanDerWaalsContact O-N 3.08Å; A912-I915 PolarHBondContact O-N 3.12Å; I915-K917 PolarHBondContact O-N 2.72Å; I915-N918 PolarHBondContact O-N 3.26Å; I915-I926 HydrophobicContact CD1-CD1 3.59Å |
| 916 | A | 89.3 | Confident | 88.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 69% | 0.694 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.4 | -25.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A912 V914 N918 | A912-A916 VanDerWaalsContact O-CB 3.25Å; A912-A916 WeakPolarHBondContact O-CB 3.48Å; A912-A916 PolarHBondContact O-N 3.33Å; V914-A916 VanDerWaalsContact C-N 3.3Å; V914-A916 PolarHBondContact O-N 3.49Å; A916-N918 PolarHBondContact O-N 2.89Å |
| 917 | K | 88.6 | Confident | 88.4 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.7 | 174.6 | -69.1 | -175.8 | -175.9 | -178 | 0 | 112.9 | I882 E885 E913 V914 I915 N919 | I882-K917 HydrophobicContact CB-CD 4.33Å; I882-K917 HydrophobicContact CD1-CB 4Å; I882-K917 HydrophobicContact CD1-CD 3.63Å; I882-K917 HydrophobicContact CD1-CG 4.45Å; I882-K917 HydrophobicContact CG1-CD 3.57Å; I882-K917 HydrophobicContact CG2-CD 3.82Å; E885-K917 IonicContact OE2-NZ 2.66Å; E885-K917 PolarHBondContact OE2-NZ 3.19Å; E913-K917 PolarHBondContact O-N 3.2Å; V914-K917 PolarHBondContact O-N 2.92Å; I915-K917 PolarHBondContact O-N 2.72Å; K917-N919 PolarHBondContact O-N 3.3Å |
| 918 | N | 89.4 | Confident | 88 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | trans | 43.3 | 41.7 | 173.1 | -164.8 | 39.3 | 0 | 0 | 0 | 115 | I915 A916 N923 | I915-N918 PolarHBondContact O-N 3.26Å; A916-N918 PolarHBondContact O-N 2.89Å; N918-N923 PolarHBondContact OD1-ND2 2.82Å | ||
| 919 | N | 90.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | trans | -80 | 134.3 | 179.5 | 174.9 | -95.4 | 0 | 0 | 0 | 110.1 | E875 G879 I882 K917 F921 V922 N923 | E875-N919 PolarHBondContact O-ND2 3.15Å; E875-N919 PolarHBondContact O-OD1 2.94Å; E875-N919 PolarHBondContact OE2-ND2 2.74Å; E875-N919 VanDerWaalsContact OE2-ND2 3.12Å; G879-N919 VanDerWaalsContact CA-OD1 3.28Å; G879-N919 WeakPolarHBondContact CA-OD1 3.3Å; I882-N919 HydrophobicContact CD1-CB 3.97Å; K917-N919 PolarHBondContact O-N 3.3Å; N919-F921 VanDerWaalsContact C-N 3.34Å; N919-F921 PolarHBondContact O-N 3.23Å; N919-F921 WeakPolarHBondContact OD1-CB 3.37Å; N919-F921 PolarHBondContact OD1-N 2.93Å; N919-V922 HydrophobicContact CB-CB 4.26Å; N919-V922 HydrophobicContact CB-CG2 4.13Å; N919-V922 PolarHBondContact O-N 2.87Å; N919-V922 WeakPolarHBondContact OD1-CG2 3.42Å; N919-V922 PolarHBondContact OD1-N 2.88Å; N919-V922 VanDerWaalsContact OD1-N 3.12Å; N919-N923 WeakPolarHBondContact O-CB 3.3Å; N919-N923 VanDerWaalsContact O-CG 3.28Å; N919-N923 PolarHBondContact O-N 2.84Å; N919-N923 VanDerWaalsContact O-N 3.07Å; N919-N923 PolarHBondContact O-ND2 3.12Å | ||
| 920 | S | 86.7 | Confident | 86 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | -171.6 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | E875 N923 E924 | E875-S920 PolarHBondContact OE2-N 3.37Å; E875-S920 PolarHBondContact OE2-OG 3.5Å; E875-S920 VanDerWaalsContact OE2-OG 3.09Å; S920-N923 PolarHBondContact O-N 3.28Å; S920-E924 PolarHBondContact O-N 3.14Å |
| 921 | F | 85.9 | Confident | 83.7 | Confident | 26 Ų | 26 | 79 Ų | 79 | 11% | 0.114 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67 | -45.9 | -180 | 174.9 | -106 | 0 | 0 | 0 | 112.2 | R876 E880 I883 N919 N923 E924 I925 | R876-F921 HydrophobicContact CB-CB 4.37Å; R876-F921 HydrophobicContact CB-CD2 4.09Å; R876-F921 HydrophobicContact CB-CG 4.1Å; R876-F921 HydrophobicContact CG-CD1 4.15Å; R876-F921 HydrophobicContact CG-CD2 3.77Å; R876-F921 HydrophobicContact CG-CE1 4.08Å; R876-F921 HydrophobicContact CG-CE2 3.7Å; R876-F921 HydrophobicContact CG-CG 3.98Å; R876-F921 HydrophobicContact CG-CZ 3.85Å; E880-F921 HydrophobicContact CG-CE1 3.79Å; E880-F921 HydrophobicContact CG-CZ 4.31Å; I883-F921 HydrophobicContact CD1-CE1 4.33Å; N919-F921 VanDerWaalsContact C-N 3.34Å; N919-F921 PolarHBondContact O-N 3.23Å; N919-F921 WeakPolarHBondContact OD1-CB 3.37Å; N919-F921 PolarHBondContact OD1-N 2.93Å; F921-N923 VanDerWaalsContact C-N 3.31Å; F921-N923 PolarHBondContact O-N 3.47Å; F921-E924 WeakPolarHBondContact O-CB 3.31Å; F921-E924 PolarHBondContact O-N 3.04Å; F921-I925 HydrophobicContact CD1-CD1 3.97Å; F921-I925 HydrophobicContact CE1-CD1 3.45Å; F921-I925 VanDerWaalsContact CE1-CD1 3.45Å; F921-I925 HydrophobicContact CE2-CD1 4.2Å; F921-I925 HydrophobicContact CZ-CD1 3.59Å; F921-I925 HydrophobicContact CZ-CG1 4.42Å; F921-I925 PolarHBondContact O-N 3.01Å |
| 922 | V | 87.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.024 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | I882 I883 V914 N919 E924 I925 I926 | I882-V922 HydrophobicContact CB-CG2 4.45Å; I882-V922 HydrophobicContact CG2-CG2 4.42Å; I883-V922 HydrophobicContact CD1-CG2 4.16Å; I883-V922 HydrophobicContact CG1-CG2 4.07Å; V914-V922 HydrophobicContact CG1-CG1 3.46Å; V914-V922 VanDerWaalsContact CG1-CG1 3.46Å; N919-V922 HydrophobicContact CB-CB 4.26Å; N919-V922 HydrophobicContact CB-CG2 4.13Å; N919-V922 PolarHBondContact O-N 2.87Å; N919-V922 WeakPolarHBondContact OD1-CG2 3.42Å; N919-V922 PolarHBondContact OD1-N 2.88Å; N919-V922 VanDerWaalsContact OD1-N 3.12Å; V922-E924 VanDerWaalsContact C-N 3.31Å; V922-E924 PolarHBondContact O-N 3.41Å; V922-I925 PolarHBondContact O-N 3.1Å; V922-I926 HydrophobicContact CG1-CD1 3.9Å; V922-I926 VanDerWaalsContact O-CG1 3.27Å; V922-I926 WeakPolarHBondContact O-CG1 3.45Å; V922-I926 PolarHBondContact O-N 3.18Å |
| 923 | N | 88.2 | Confident | 78.2 | Confident | 50 Ų | 50 | 86.1 Ų | 86.1 | 27% | 0.267 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 177.6 | -72.9 | -21.4 | 0 | 0 | 0 | 112.1 | N918 N919 S920 F921 I926 S927 | N918-N923 PolarHBondContact OD1-ND2 2.82Å; N919-N923 WeakPolarHBondContact O-CB 3.3Å; N919-N923 VanDerWaalsContact O-CG 3.28Å; N919-N923 PolarHBondContact O-N 2.84Å; N919-N923 VanDerWaalsContact O-N 3.07Å; N919-N923 PolarHBondContact O-ND2 3.12Å; S920-N923 PolarHBondContact O-N 3.28Å; F921-N923 VanDerWaalsContact C-N 3.31Å; F921-N923 PolarHBondContact O-N 3.47Å; N923-I926 PolarHBondContact O-N 2.76Å; N923-S927 WeakPolarHBondContact O-CB 3.49Å; N923-S927 PolarHBondContact O-N 3.14Å |
| 924 | E | 85.1 | Confident | 77.5 | Confident | 85 Ų | 85 | 86.7 Ų | 86.7 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 174.7 | -170.2 | -173.2 | 172.4 | 0 | 0 | 111.4 | S920 F921 V922 I926 S927 R928 | S920-E924 PolarHBondContact O-N 3.14Å; F921-E924 WeakPolarHBondContact O-CB 3.31Å; F921-E924 PolarHBondContact O-N 3.04Å; V922-E924 VanDerWaalsContact C-N 3.31Å; V922-E924 PolarHBondContact O-N 3.41Å; E924-I926 VanDerWaalsContact C-N 3.3Å; E924-I926 PolarHBondContact O-N 2.98Å; E924-S927 WeakPolarHBondContact O-CB 3.37Å; E924-S927 PolarHBondContact O-N 3.28Å; E924-S927 VanDerWaalsContact O-N 3.11Å; E924-S927 PolarHBondContact O-OG 3.29Å; E924-R928 WeakPolarHBondContact O-CG 3.19Å; E924-R928 PolarHBondContact O-N 3.01Å; E924-R928 VanDerWaalsContact O-N 3.1Å; E924-R928 IonicContact OE1-CZ 2.72Å; E924-R928 IonicContact OE1-NE 3.85Å; E924-R928 PolarHBondContact OE1-NE 3.04Å; E924-R928 IonicContact OE1-NH2 2.6Å; E924-R928 PolarHBondContact OE1-NH2 2.83Å |
| 925 | I | 84.9 | Confident | 76.9 | Confident | 53 Ų | 53 | 90.3 Ų | 90.3 | 27% | 0.272 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.7 | -67.7 | 167.6 | 0 | 0 | 0 | 110.6 | I883 F921 V922 S927 R928 I929 | I883-I925 HydrophobicContact CD1-CD1 3.59Å; F921-I925 HydrophobicContact CD1-CD1 3.97Å; F921-I925 HydrophobicContact CE1-CD1 3.45Å; F921-I925 VanDerWaalsContact CE1-CD1 3.45Å; F921-I925 HydrophobicContact CE2-CD1 4.2Å; F921-I925 HydrophobicContact CZ-CD1 3.59Å; F921-I925 HydrophobicContact CZ-CG1 4.42Å; F921-I925 PolarHBondContact O-N 3.01Å; V922-I925 PolarHBondContact O-N 3.1Å; I925-S927 VanDerWaalsContact C-N 3.29Å; I925-S927 PolarHBondContact O-N 2.95Å; I925-R928 WeakPolarHBondContact O-CB 3.39Å; I925-R928 PolarHBondContact O-N 3.17Å; I925-R928 VanDerWaalsContact O-N 3.14Å; I925-I929 PolarHBondContact O-N 3.04Å |
| 926 | I | 86.9 | Confident | 76.1 | Confident | 70 Ų | 70 | 90.4 Ų | 90.4 | 36% | 0.359 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 179.1 | -66.6 | 168.5 | 0 | 0 | 0 | 111 | I915 V922 N923 E924 R928 I929 | I915-I926 HydrophobicContact CD1-CD1 3.59Å; V922-I926 HydrophobicContact CG1-CD1 3.9Å; V922-I926 VanDerWaalsContact O-CG1 3.27Å; V922-I926 WeakPolarHBondContact O-CG1 3.45Å; V922-I926 PolarHBondContact O-N 3.18Å; N923-I926 PolarHBondContact O-N 2.76Å; E924-I926 VanDerWaalsContact C-N 3.3Å; E924-I926 PolarHBondContact O-N 2.98Å; I926-R928 VanDerWaalsContact C-N 3.26Å; I926-R928 PolarHBondContact O-N 3.49Å; I926-I929 PolarHBondContact O-N 3.46Å |
| 927 | S | 84 | Confident | 75.4 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.6 | -27.4 | 177.9 | 78.6 | 0 | 0 | 0 | 0 | 113.5 | N923 E924 I925 I929 | N923-S927 WeakPolarHBondContact O-CB 3.49Å; N923-S927 PolarHBondContact O-N 3.14Å; E924-S927 WeakPolarHBondContact O-CB 3.37Å; E924-S927 PolarHBondContact O-N 3.28Å; E924-S927 VanDerWaalsContact O-N 3.11Å; E924-S927 PolarHBondContact O-OG 3.29Å; I925-S927 VanDerWaalsContact C-N 3.29Å; I925-S927 PolarHBondContact O-N 2.95Å; S927-I929 VanDerWaalsContact C-N 3.34Å |
| 928 | R | 79.6 | Confident | 74.5 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.8 | -19.5 | 177 | -66.4 | 171.2 | -178.3 | -153.9 | -2.4 | 112.6 | E924 I925 I926 K930 | E924-R928 WeakPolarHBondContact O-CG 3.19Å; E924-R928 PolarHBondContact O-N 3.01Å; E924-R928 VanDerWaalsContact O-N 3.1Å; E924-R928 IonicContact OE1-CZ 2.72Å; E924-R928 IonicContact OE1-NE 3.85Å; E924-R928 PolarHBondContact OE1-NE 3.04Å; E924-R928 IonicContact OE1-NH2 2.6Å; E924-R928 PolarHBondContact OE1-NH2 2.83Å; I925-R928 WeakPolarHBondContact O-CB 3.39Å; I925-R928 PolarHBondContact O-N 3.17Å; I925-R928 VanDerWaalsContact O-N 3.14Å; I926-R928 VanDerWaalsContact C-N 3.26Å; I926-R928 PolarHBondContact O-N 3.49Å; R928-K930 PolarHBondContact O-N 2.76Å |
| 929 | I | 82.4 | Confident | 73.5 | Confident | 110 Ų | 110 | 88.3 Ų | 88.3 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -73.4 | 96.4 | 176.5 | -59.3 | 171.1 | 0 | 0 | 0 | 108.1 | I925 I926 S927 V931 | I925-I929 PolarHBondContact O-N 3.04Å; I926-I929 PolarHBondContact O-N 3.46Å; S927-I929 VanDerWaalsContact C-N 3.34Å; I929-V931 PolarHBondContact O-N 3.39Å |
| 930 | K | 55.4 | Low | 72.3 | Confident | 195 Ų | 195 | 94 Ų | 94 | 85% | 0.848 | 51% | 0.51 | S | S | * | . | trans | -58.1 | 112.3 | 166.6 | -79.8 | -176.1 | 178.5 | 175 | 0 | 107.9 | R928 T932 | R928-K930 PolarHBondContact O-N 2.76Å; K930-T932 VanDerWaalsContact C-N 3.34Å; K930-T932 PolarHBondContact O-N 3.25Å | ||
| 931 | V | 42 | Very low | 71.2 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 70% | 0.703 | 51% | 0.514 | S | S | * | . | trans | -65 | 100.9 | 165.7 | -176 | 0 | 0 | 0 | 0 | 105.8 | I929 T933 | I929-V931 PolarHBondContact O-N 3.39Å; V931-T933 HydrophobicContact CG1-CG2 3.95Å; V931-T933 PolarHBondContact O-N 2.88Å | ||
| 932 | T | 33.9 | Very low | 70 | Confident | 140 Ų | 140 | 102.1 Ų | 102.1 | 86% | 0.859 | 55% | 0.547 | S | S | * | . | trans | -64.2 | 90.8 | 157.5 | 8.6 | 0 | 0 | 0 | 0 | 106 | K930 | K930-T932 VanDerWaalsContact C-N 3.34Å; K930-T932 PolarHBondContact O-N 3.25Å | ||
| 933 | T | 30.5 | Very low | 68.5 | Low | 195 Ų | 195 | 111 Ų | 111 | 100% | 1.196 | 60% | 0.595 | S | S | * | * | trans | -66.9 | 0 | 160.6 | 43.8 | 0 | 0 | 0 | 0 | 110 | V931 | V931-T933 HydrophobicContact CG1-CG2 3.95Å; V931-T933 PolarHBondContact O-N 2.88Å |
Retrieved 933 of 933 residues in 997.2 ms
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