| 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 | 51.6 | Low | 59.8 | Low | 190 Ų | 190 | 79.6 Ų | 79.6 | 94% | 0.936 | 41% | 0.412 | S | S | * | . | 0 | 137.6 | 0 | -73.3 | -58.2 | -151.8 | 0 | 0 | 108.8 | I9 | M1-I9 HydrophobicContact CE-CD1 3.9Š| |||
| 2 | P | 60.8 | Low | 59.6 | Low | 65 Ų | 65 | 83.2 Ų | 83.2 | 42% | 0.422 | 44% | 0.444 | S | S | . | . | trans | -63.3 | 146.1 | 162.7 | 28.7 | -33.3 | 0 | 0 | 0 | 109.9 | E4 | P2-E4 VanDerWaalsContact C-N 3.27Å; P2-E4 WeakPolarHBondContact CB-OE1 3.18Å; P2-E4 PolarHBondContact O-N 2.96Å | ||
| 3 | M | 58.3 | Low | 59.4 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -71.4 | -24.5 | -176.6 | -61.7 | -176.8 | -166.7 | 0 | 0 | 112.1 | N5 L6 N31 L35 | M3-N5 PolarHBondContact O-N 3.21Å; M3-N5 VanDerWaalsContact O-N 3.14Å; M3-L6 PolarHBondContact O-N 2.9Å; M3-N31 VanDerWaalsContact O-CG 3.28Å; M3-N31 PolarHBondContact O-OD1 3.16Å; M3-L35 HydrophobicContact CE-CD2 4.19Å; M3-L35 HydrophobicContact CG-CD2 4.17Å; M3-L35 HydrophobicContact SD-CD2 3.46Å; M3-L35 WeakPolarHBondContact SD-CD2 3.31Å |
| 4 | E | 58 | Low | 59.5 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -61.6 | -23.6 | -175.3 | -55.2 | 110.2 | -91.5 | 0 | 0 | 114.4 | P2 N31 | P2-E4 VanDerWaalsContact C-N 3.27Å; P2-E4 WeakPolarHBondContact CB-OE1 3.18Å; P2-E4 PolarHBondContact O-N 2.96Å; E4-N31 VanDerWaalsContact C-ND2 3.33Å; E4-N31 PolarHBondContact O-ND2 3.49Å |
| 5 | N | 59.5 | Low | 60 | Low | 75 Ų | 75 | 84.1 Ų | 84.1 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -104.5 | 6.1 | -172.2 | -74.5 | -48.1 | 0 | 0 | 0 | 114.6 | M3 T8 I9 | M3-N5 PolarHBondContact O-N 3.21Å; M3-N5 VanDerWaalsContact O-N 3.14Å; N5-T8 WeakPolarHBondContact O-CB 3.48Å; N5-T8 PolarHBondContact O-N 2.55Å; N5-T8 VanDerWaalsContact O-N 3.12Å; N5-I9 HydrophobicContact CB-CD1 4.46Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.49Å; N5-I9 VanDerWaalsContact O-N 3.07Å |
| 6 | L | 64.3 | Low | 60.3 | Low | 22 Ų | 22 | 89.6 Ų | 89.6 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.3 | -53.8 | -171.8 | -142.3 | 67.2 | 0 | 0 | 0 | 111.4 | M3 T8 I9 F10 N31 L34 L35 L38 | M3-L6 PolarHBondContact O-N 2.9Å; L6-T8 PolarHBondContact O-N 3.29Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-F10 HydrophobicContact CG-CD2 4.49Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 2.92Å; L6-F10 PolarHBondContact O-N 3.22Å; L6-N31 WeakPolarHBondContact CB-OD1 3.21Å; L6-N31 PolarHBondContact N-OD1 2.91Å; L6-N31 VanDerWaalsContact N-OD1 3.14Å; L6-L34 HydrophobicContact CB-CD2 4.09Å; L6-L34 HydrophobicContact CD2-CB 4.37Å; L6-L34 HydrophobicContact CD2-CD2 4.11Å; L6-L34 HydrophobicContact CD2-CG 3.97Å; L6-L34 HydrophobicContact CG-CD2 3.79Å; L6-L34 HydrophobicContact CG-CG 4.21Å; L6-L35 HydrophobicContact CD2-CB 4.05Å; L6-L35 HydrophobicContact CD2-CD1 4.33Å; L6-L38 HydrophobicContact CD2-CD1 3.98Å |
| 7 | A | 58.3 | Low | 60.9 | Low | 4 Ų | 4 | 86.1 Ų | 86.1 | 3% | 0.033 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.6 | -11.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | G11 N31 | A7-G11 WeakPolarHBondContact O-CA 3.3Å; A7-G11 PolarHBondContact O-N 2.97Å; A7-N31 WeakPolarHBondContact CB-OD1 3.46Å; A7-N31 PolarHBondContact N-OD1 3.15Å |
| 8 | T | 59.6 | Low | 61.1 | Low | 81 Ų | 81 | 84.7 Ų | 84.7 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.1 | -34 | 171 | -42.3 | 0 | 0 | 0 | 0 | 110.8 | N5 L6 Q27 | N5-T8 WeakPolarHBondContact O-CB 3.48Å; N5-T8 PolarHBondContact O-N 2.55Å; N5-T8 VanDerWaalsContact O-N 3.12Å; L6-T8 PolarHBondContact O-N 3.29Å; T8-Q27 PolarHBondContact OG1-NE2 2.96Å |
| 9 | I | 61.4 | Low | 61.6 | Low | 94 Ų | 94 | 85.6 Ų | 85.6 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -87 | -38.7 | -178.7 | -65.6 | 166.5 | 0 | 0 | 0 | 111.4 | M1 N5 L6 | M1-I9 HydrophobicContact CE-CD1 3.9Å; N5-I9 HydrophobicContact CB-CD1 4.46Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.49Å; N5-I9 VanDerWaalsContact O-N 3.07Å; L6-I9 PolarHBondContact O-N 3.4Å |
| 10 | F | 63.7 | Low | 62.3 | Low | 98 Ų | 98 | 83.1 Ų | 83.1 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -103.4 | -9 | -177.5 | -62.6 | -73.7 | 0 | 0 | 0 | 114.6 | L6 C13 I14 L34 | L6-F10 HydrophobicContact CG-CD2 4.49Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 2.92Å; L6-F10 PolarHBondContact O-N 3.22Å; F10-C13 PolarHBondContact O-N 3.39Å; F10-I14 HydrophobicContact CB-CD1 4.4Å; F10-L34 HydrophobicContact CB-CD2 3.8Å; F10-L34 HydrophobicContact CD2-CD2 3.83Å; F10-L34 HydrophobicContact CG-CD2 4.17Å |
| 11 | G | 62.6 | Low | 62.5 | Low | 6 Ų | 6 | 86 Ų | 86 | 6% | 0.062 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -52.4 | -49.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | A7 C13 I14 F15 | A7-G11 WeakPolarHBondContact O-CA 3.3Å; A7-G11 PolarHBondContact O-N 2.97Å; G11-C13 PolarHBondContact O-N 3.46Å; G11-I14 PolarHBondContact O-N 3.02Å; G11-F15 CarbonylContact C-O 3.46Å; G11-F15 CarbonylContact O-C 3.54Å; G11-F15 PolarHBondContact O-N 2.73Å; G11-F15 VanDerWaalsContact O-O 3.09Å |
| 12 | P | 57.3 | Low | 63.5 | Low | 122 Ų | 122 | 83.9 Ų | 83.9 | 79% | 0.792 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.6 | -18.9 | -174.1 | -28.1 | 35.9 | 0 | 0 | 0 | 115.8 | ||
| 13 | C | 56.8 | Low | 64.4 | Low | 124 Ų | 124 | 84.5 Ų | 84.5 | 84% | 0.838 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -111.3 | -10.7 | -178 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | F10 G11 | F10-C13 PolarHBondContact O-N 3.39Å; G11-C13 PolarHBondContact O-N 3.46Å |
| 14 | I | 61.2 | Low | 65.2 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -138.3 | -41 | -170.4 | -46.3 | -178.4 | 0 | 0 | 0 | 113 | F10 G11 | F10-I14 HydrophobicContact CB-CD1 4.4Å; G11-I14 PolarHBondContact O-N 3.02Å |
| 15 | F | 66.1 | Low | 66.2 | Low | 41 Ų | 41 | 84.6 Ų | 84.6 | 18% | 0.18 | 48% | 0.477 | C | S | . | . | trans | -133.6 | 98.9 | -174.4 | -68.2 | -76 | 0 | 0 | 0 | 111.1 | G11 V17 L33 L34 L37 | G11-F15 CarbonylContact C-O 3.46Å; G11-F15 CarbonylContact O-C 3.54Å; G11-F15 PolarHBondContact O-N 2.73Å; G11-F15 VanDerWaalsContact O-O 3.09Å; F15-V17 PolarHBondContact O-N 3.16Å; F15-L33 HydrophobicContact CE1-CB 4.12Å; F15-L33 HydrophobicContact CE1-CD1 4.21Å; F15-L33 HydrophobicContact CZ-CB 3.97Å; F15-L34 HydrophobicContact CD2-CB 4.28Å; F15-L34 HydrophobicContact CE2-CB 3.72Å; F15-L34 HydrophobicContact CE2-CD1 4.16Å; F15-L34 HydrophobicContact CE2-CG 4.39Å; F15-L37 HydrophobicContact CE2-CD1 4.47Å; F15-L37 HydrophobicContact CZ-CD1 4.04Å | ||
| 16 | H | 65.8 | Low | 67.1 | Low | 172 Ų | 172 | 84.5 Ų | 84.5 | 80% | 0.796 | 47% | 0.474 | S | S | * | . | trans | -81 | 94.8 | 174.8 | 179.2 | -69.5 | 0 | 0 | 0 | 110.7 | P18 | H16-P18 WeakPolarHBondContact O-CD 3.41Š| ||
| 17 | V | 70.6 | Confident | 67.9 | Low | 30 Ų | 30 | 85.1 Ų | 85.1 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | trans | -82.7 | 118.6 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | F15 I23 E26 S30 | F15-V17 PolarHBondContact O-N 3.16Å; V17-I23 HydrophobicContact CG1-CG1 3.95Å; V17-E26 HydrophobicContact CG1-CB 3.74Å; V17-S30 WeakPolarHBondContact CG2-OG 3.46Å | ||
| 18 | P | 64.1 | Low | 68.8 | Low | 60 Ų | 60 | 87.7 Ų | 87.7 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | trans | -70.5 | 150.7 | -179.6 | 30.4 | -36 | 0 | 0 | 0 | 112.6 | H16 G20 E26 | H16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-G20 PolarHBondContact O-N 3.36Å; P18-E26 WeakPolarHBondContact CD-OE2 3.45Å; P18-E26 WeakPolarHBondContact CG-OE2 3.34Å | ||
| 19 | A | 69.6 | Low | 69.9 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 85% | 0.851 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -76.1 | 110.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 20 | G | 76.1 | Confident | 70.8 | Confident | 34 Ų | 34 | 84 Ų | 84 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -167.5 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P18 R22 I23 | P18-G20 PolarHBondContact O-N 3.36Å; G20-R22 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact O-N 3.16Å; G20-I23 VanDerWaalsContact O-CB 3.28Å; G20-I23 WeakPolarHBondContact O-CB 3.47Å; G20-I23 VanDerWaalsContact O-CG2 3.3Å; G20-I23 WeakPolarHBondContact O-CG2 3.3Å; G20-I23 PolarHBondContact O-N 3.11Å; G20-I23 VanDerWaalsContact O-N 3.07Å |
| 21 | P | 66.8 | Low | 71.5 | Confident | 146 Ų | 146 | 80 Ų | 80 | 95% | 0.948 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.2 | -175.7 | 26.1 | -34.8 | 0 | 0 | 0 | 114.3 | ||
| 22 | R | 72.3 | Confident | 72.4 | Confident | 144 Ų | 144 | 84.1 Ų | 84.1 | 54% | 0.543 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.6 | 175.3 | -67.7 | -169.1 | 179.9 | -85.4 | 2.3 | 114.3 | G20 L24 E25 E26 | G20-R22 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact O-N 3.16Å; R22-L24 PolarHBondContact O-N 3.44Å; R22-E25 WeakPolarHBondContact CB-OE2 3.48Å; R22-E25 WeakPolarHBondContact CD-OE2 3.34Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 2.7Å; R22-E25 IonicContact NE-OE2 3.46Å; R22-E25 VanDerWaalsContact NH1-CD 3.35Å; R22-E25 IonicContact NH1-OE1 3.59Å; R22-E25 PolarHBondContact NH1-OE1 3.18Å; R22-E25 IonicContact NH1-OE2 3.5Å; R22-E25 PolarHBondContact NH1-OE2 3.01Å; R22-E25 WeakPolarHBondContact O-CA 3.41Å; R22-E25 WeakPolarHBondContact O-CB 3.44Å; R22-E25 PolarHBondContact O-N 3.49Å; R22-E26 HydrophobicContact CB-CG 4.36Å; R22-E26 WeakPolarHBondContact CB-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.12Å |
| 23 | I | 80.6 | Confident | 73.6 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -50 | -37.7 | -175.2 | -170.1 | 174.3 | 0 | 0 | 0 | 113.7 | V17 G20 Q27 | V17-I23 HydrophobicContact CG1-CG1 3.95Å; G20-I23 VanDerWaalsContact O-CB 3.28Å; G20-I23 WeakPolarHBondContact O-CB 3.47Å; G20-I23 VanDerWaalsContact O-CG2 3.3Å; G20-I23 WeakPolarHBondContact O-CG2 3.3Å; G20-I23 PolarHBondContact O-N 3.11Å; G20-I23 VanDerWaalsContact O-N 3.07Å; I23-Q27 WeakPolarHBondContact O-CB 3.48Å; I23-Q27 PolarHBondContact O-N 3.48Å |
| 24 | L | 75.3 | Confident | 74.8 | Confident | 145 Ų | 145 | 77 Ų | 77 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.5 | -36.8 | 177.8 | -68 | 173.3 | 0 | 0 | 0 | 113 | R22 S28 | R22-L24 PolarHBondContact O-N 3.44Å; L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 2.7Å |
| 25 | E | 79.1 | Confident | 75.7 | Confident | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.7 | -49.7 | 175.9 | -58.1 | 176 | 157 | 0 | 0 | 109.7 | R22 Q27 S28 V29 | R22-E25 WeakPolarHBondContact CB-OE2 3.48Å; R22-E25 WeakPolarHBondContact CD-OE2 3.34Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 2.7Å; R22-E25 IonicContact NE-OE2 3.46Å; R22-E25 VanDerWaalsContact NH1-CD 3.35Å; R22-E25 IonicContact NH1-OE1 3.59Å; R22-E25 PolarHBondContact NH1-OE1 3.18Å; R22-E25 IonicContact NH1-OE2 3.5Å; R22-E25 PolarHBondContact NH1-OE2 3.01Å; R22-E25 WeakPolarHBondContact O-CA 3.41Å; R22-E25 WeakPolarHBondContact O-CB 3.44Å; R22-E25 PolarHBondContact O-N 3.49Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.03Å; E25-S28 WeakPolarHBondContact O-CB 3.22Å; E25-S28 PolarHBondContact O-N 2.87Å; E25-S28 PolarHBondContact O-OG 3.2Å; E25-V29 PolarHBondContact O-N 3.38Å |
| 26 | E | 77.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | -179.2 | -65.2 | 173.1 | -147 | 0 | 0 | 112.1 | V17 P18 R22 S30 | V17-E26 HydrophobicContact CG1-CB 3.74Å; P18-E26 WeakPolarHBondContact CD-OE2 3.45Å; P18-E26 WeakPolarHBondContact CG-OE2 3.34Å; R22-E26 HydrophobicContact CB-CG 4.36Å; R22-E26 WeakPolarHBondContact CB-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.12Å; E26-S30 WeakPolarHBondContact O-CB 3.44Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.07Å |
| 27 | Q | 80.9 | Confident | 77.2 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 16% | 0.164 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 168.9 | -171.1 | 72.8 | -5.9 | 0 | 0 | 111.6 | T8 I23 E25 S30 N31 | T8-Q27 PolarHBondContact OG1-NE2 2.96Å; I23-Q27 WeakPolarHBondContact O-CB 3.48Å; I23-Q27 PolarHBondContact O-N 3.48Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.03Å; Q27-S30 PolarHBondContact O-N 2.77Å; Q27-N31 WeakPolarHBondContact O-CB 3.34Å; Q27-N31 VanDerWaalsContact O-CG 3.27Å; Q27-N31 PolarHBondContact O-N 2.94Å; Q27-N31 PolarHBondContact O-ND2 3.42Å |
| 28 | S | 78.3 | Confident | 77.7 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 178.2 | 79.8 | 0 | 0 | 0 | 0 | 112.9 | L24 E25 T32 | L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 2.7Å; E25-S28 WeakPolarHBondContact O-CB 3.22Å; E25-S28 PolarHBondContact O-N 2.87Å; E25-S28 PolarHBondContact O-OG 3.2Å; S28-T32 WeakPolarHBondContact O-CB 3.19Å; S28-T32 PolarHBondContact O-N 3.12Å; S28-T32 PolarHBondContact O-OG1 2.85Å |
| 29 | V | 81.3 | Confident | 78.6 | Confident | 83 Ų | 83 | 80 Ų | 80 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | E25 N31 T32 L33 | E25-V29 PolarHBondContact O-N 3.38Å; V29-N31 PolarHBondContact O-N 2.9Å; V29-T32 WeakPolarHBondContact O-CB 3.44Å; V29-T32 PolarHBondContact O-N 3.33Å; V29-T32 VanDerWaalsContact O-N 3.1Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.94Å |
| 30 | S | 79.8 | Confident | 79.1 | Confident | 14 Ų | 14 | 78.5 Ų | 78.5 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.4 | -58 | 0 | 0 | 0 | 0 | 112.7 | V17 E26 Q27 T32 L33 L34 | V17-S30 WeakPolarHBondContact CG2-OG 3.46Å; E26-S30 WeakPolarHBondContact O-CB 3.44Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.07Å; Q27-S30 PolarHBondContact O-N 2.77Å; S30-T32 VanDerWaalsContact C-N 3.32Å; S30-T32 PolarHBondContact O-N 3Å; S30-L33 PolarHBondContact O-N 3.44Å; S30-L34 WeakPolarHBondContact O-CB 3.21Å; S30-L34 PolarHBondContact O-N 3.29Å |
| 31 | N | 80.3 | Confident | 79.2 | Confident | 14 Ų | 14 | 82 Ų | 82 | 8% | 0.075 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 170.7 | -79.1 | -34.2 | 0 | 0 | 0 | 111.6 | M3 E4 L6 A7 Q27 V29 L35 | M3-N31 VanDerWaalsContact O-CG 3.28Å; M3-N31 PolarHBondContact O-OD1 3.16Å; E4-N31 VanDerWaalsContact C-ND2 3.33Å; E4-N31 PolarHBondContact O-ND2 3.49Å; L6-N31 WeakPolarHBondContact CB-OD1 3.21Å; L6-N31 PolarHBondContact N-OD1 2.91Å; L6-N31 VanDerWaalsContact N-OD1 3.14Å; A7-N31 WeakPolarHBondContact CB-OD1 3.46Å; A7-N31 PolarHBondContact N-OD1 3.15Å; Q27-N31 WeakPolarHBondContact O-CB 3.34Å; Q27-N31 VanDerWaalsContact O-CG 3.27Å; Q27-N31 PolarHBondContact O-N 2.94Å; Q27-N31 PolarHBondContact O-ND2 3.42Å; V29-N31 PolarHBondContact O-N 2.9Å; N31-L35 VanDerWaalsContact O-CB 3.23Å; N31-L35 WeakPolarHBondContact O-CB 3.39Å; N31-L35 PolarHBondContact O-N 3.35Å |
| 32 | T | 81.4 | Confident | 79.5 | Confident | 93 Ų | 93 | 78.2 Ų | 78.2 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.8 | -43.1 | -178 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | S28 V29 S30 L35 H36 | S28-T32 WeakPolarHBondContact O-CB 3.19Å; S28-T32 PolarHBondContact O-N 3.12Å; S28-T32 PolarHBondContact O-OG1 2.85Å; V29-T32 WeakPolarHBondContact O-CB 3.44Å; V29-T32 PolarHBondContact O-N 3.33Å; V29-T32 VanDerWaalsContact O-N 3.1Å; S30-T32 VanDerWaalsContact C-N 3.32Å; S30-T32 PolarHBondContact O-N 3Å; T32-L35 PolarHBondContact O-N 3.39Å; T32-H36 PolarHBondContact O-N 3.32Å |
| 33 | L | 81.1 | Confident | 79.7 | Confident | 88 Ų | 88 | 77 Ų | 77 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 175.6 | -70.6 | 171.4 | 0 | 0 | 0 | 111.7 | F15 V29 S30 L35 H36 L37 | F15-L33 HydrophobicContact CE1-CB 4.12Å; F15-L33 HydrophobicContact CE1-CD1 4.21Å; F15-L33 HydrophobicContact CZ-CB 3.97Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.94Å; S30-L33 PolarHBondContact O-N 3.44Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 2.98Å; L33-H36 WeakPolarHBondContact O-CB 3.31Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-H36 VanDerWaalsContact O-N 3.14Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.3Å |
| 34 | L | 82.1 | Confident | 79 | Confident | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 176.8 | -179.3 | 56.4 | 0 | 0 | 0 | 112 | L6 F10 F15 S30 H36 L37 L38 | L6-L34 HydrophobicContact CB-CD2 4.09Å; L6-L34 HydrophobicContact CD2-CB 4.37Å; L6-L34 HydrophobicContact CD2-CD2 4.11Å; L6-L34 HydrophobicContact CD2-CG 3.97Å; L6-L34 HydrophobicContact CG-CD2 3.79Å; L6-L34 HydrophobicContact CG-CG 4.21Å; F10-L34 HydrophobicContact CB-CD2 3.8Å; F10-L34 HydrophobicContact CD2-CD2 3.83Å; F10-L34 HydrophobicContact CG-CD2 4.17Å; F15-L34 HydrophobicContact CD2-CB 4.28Å; F15-L34 HydrophobicContact CE2-CB 3.72Å; F15-L34 HydrophobicContact CE2-CD1 4.16Å; F15-L34 HydrophobicContact CE2-CG 4.39Å; S30-L34 WeakPolarHBondContact O-CB 3.21Å; S30-L34 PolarHBondContact O-N 3.29Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.33Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-L38 HydrophobicContact CD1-CD1 4.1Å; L34-L38 HydrophobicContact CD1-CG 4.26Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å |
| 35 | L | 80.7 | Confident | 78.6 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 176.6 | -177 | 63.7 | 0 | 0 | 0 | 112.7 | M3 L6 N31 T32 L33 R39 | M3-L35 HydrophobicContact CE-CD2 4.19Å; M3-L35 HydrophobicContact CG-CD2 4.17Å; M3-L35 HydrophobicContact SD-CD2 3.46Å; M3-L35 WeakPolarHBondContact SD-CD2 3.31Å; L6-L35 HydrophobicContact CD2-CB 4.05Å; L6-L35 HydrophobicContact CD2-CD1 4.33Å; N31-L35 VanDerWaalsContact O-CB 3.23Å; N31-L35 WeakPolarHBondContact O-CB 3.39Å; N31-L35 PolarHBondContact O-N 3.35Å; T32-L35 PolarHBondContact O-N 3.39Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 2.98Å; L35-R39 VanDerWaalsContact O-CG 3.3Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.93Å |
| 36 | H | 82.4 | Confident | 77.5 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 173 | -173.4 | 66.5 | 0 | 0 | 0 | 111.1 | T32 L33 L34 L38 R39 H40 | T32-H36 PolarHBondContact O-N 3.32Å; L33-H36 WeakPolarHBondContact O-CB 3.31Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-H36 VanDerWaalsContact O-N 3.14Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.33Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.35Å; H36-R39 PolarHBondContact O-N 3.23Å; H36-H40 AromaticContact CE1-CD2 3.3Å; H36-H40 PolarHBondContact CE1-CD2 3.07Å; H36-H40 AromaticContact CE1-NE2 3.5Å; H36-H40 PolarHBondContact CE1-NE2 2.89Å; H36-H40 AromaticContact ND1-CD2 3.44Å; H36-H40 PolarHBondContact ND1-CD2 3.09Å; H36-H40 AromaticContact ND1-NE2 3.71Å; H36-H40 AromaticContact NE2-CD2 3.87Å; H36-H40 PolarHBondContact O-CD2 2.88Å; H36-H40 PolarHBondContact O-N 2.96Å |
| 37 | L | 80.9 | Confident | 76.3 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.6 | -43.1 | 174.5 | -68.3 | 172 | 0 | 0 | 0 | 112.1 | F15 L33 L34 R39 H40 H41 L44 | F15-L37 HydrophobicContact CE2-CD1 4.47Å; F15-L37 HydrophobicContact CZ-CD1 4.04Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.3Å; L34-L37 PolarHBondContact O-N 3.17Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 2.89Å; L37-H40 CarbonylContact O-C 3.59Å; L37-H40 PolarHBondContact O-N 3.37Å; L37-H41 WeakPolarHBondContact O-CA 3.39Å; L37-H41 PolarHBondContact O-N 3.26Å; L37-L44 HydrophobicContact CD2-CD1 3.67Å |
| 38 | L | 80.7 | Confident | 74.9 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.2 | -27.1 | 177.4 | -73.1 | 167.9 | 0 | 0 | 0 | 113.4 | L6 L34 H36 H41 | L6-L38 HydrophobicContact CD2-CD1 3.98Å; L34-L38 HydrophobicContact CD1-CD1 4.1Å; L34-L38 HydrophobicContact CD1-CG 4.26Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.35Å; L38-H41 PolarHBondContact O-ND1 3.08Å |
| 39 | R | 82.6 | Confident | 73.4 | Confident | 157 Ų | 157 | 92.6 Ų | 92.6 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -76.9 | -32.7 | 174.1 | -78 | 171.3 | 176 | 150.1 | -0.1 | 112.9 | L35 H36 L37 | L35-R39 VanDerWaalsContact O-CG 3.3Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.93Å; H36-R39 PolarHBondContact O-N 3.23Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 2.89Å |
| 40 | H | 80.3 | Confident | 71.7 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -105.6 | 16.7 | -177.9 | -65.5 | -69.4 | 0 | 0 | 0 | 113.7 | H36 L37 A42 D43 L44 | H36-H40 AromaticContact CE1-CD2 3.3Å; H36-H40 PolarHBondContact CE1-CD2 3.07Å; H36-H40 AromaticContact CE1-NE2 3.5Å; H36-H40 PolarHBondContact CE1-NE2 2.89Å; H36-H40 AromaticContact ND1-CD2 3.44Å; H36-H40 PolarHBondContact ND1-CD2 3.09Å; H36-H40 AromaticContact ND1-NE2 3.71Å; H36-H40 AromaticContact NE2-CD2 3.87Å; H36-H40 PolarHBondContact O-CD2 2.88Å; H36-H40 PolarHBondContact O-N 2.96Å; L37-H40 CarbonylContact O-C 3.59Å; L37-H40 PolarHBondContact O-N 3.37Å; H40-A42 PolarHBondContact O-N 3.46Å; H40-D43 IonicContact CG-OD2 3.45Å; H40-D43 IonicContact ND1-OD2 3.82Å; H40-D43 PolarHBondContact ND1-OD2 3.1Å; H40-D43 WeakPolarHBondContact O-CB 3.36Å; H40-D43 PolarHBondContact O-N 3.22Å; H40-L44 HydrophobicContact CB-CD1 4.13Å; H40-L44 HydrophobicContact CB-CG 4.42Å; H40-L44 WeakPolarHBondContact O-CB 3.48Å; H40-L44 VanDerWaalsContact O-CG 3.31Å; H40-L44 WeakPolarHBondContact O-CG 3.24Å; H40-L44 PolarHBondContact O-N 3.23Å |
| 41 | H | 78.1 | Confident | 69.9 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -30.5 | -174.8 | 73.6 | -88.5 | 0 | 0 | 0 | 113 | L37 L38 L45 | L37-H41 WeakPolarHBondContact O-CA 3.39Å; L37-H41 PolarHBondContact O-N 3.26Å; L38-H41 PolarHBondContact O-ND1 3.08Å; H41-L45 WeakPolarHBondContact O-CA 3.18Å; H41-L45 WeakPolarHBondContact O-CB 3.45Å; H41-L45 PolarHBondContact O-N 3.41Å |
| 42 | A | 74.3 | Confident | 68.4 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.3 | -33.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H40 | H40-A42 PolarHBondContact O-N 3.46Å |
| 43 | D | 75.3 | Confident | 66.2 | Low | 120 Ų | 120 | 109 Ų | 109 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.4 | -34.2 | 176.3 | -48.6 | -49 | 0 | 0 | 0 | 111.1 | H40 | H40-D43 IonicContact CG-OD2 3.45Å; H40-D43 IonicContact ND1-OD2 3.82Å; H40-D43 PolarHBondContact ND1-OD2 3.1Å; H40-D43 WeakPolarHBondContact O-CB 3.36Å; H40-D43 PolarHBondContact O-N 3.22Å |
| 44 | L | 67.1 | Low | 63.8 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -88.1 | -26.7 | -176.1 | -65.8 | 168.7 | 0 | 0 | 0 | 113.8 | L37 H40 | L37-L44 HydrophobicContact CD2-CD1 3.67Å; H40-L44 HydrophobicContact CB-CD1 4.13Å; H40-L44 HydrophobicContact CB-CG 4.42Å; H40-L44 WeakPolarHBondContact O-CB 3.48Å; H40-L44 VanDerWaalsContact O-CG 3.31Å; H40-L44 WeakPolarHBondContact O-CG 3.24Å; H40-L44 PolarHBondContact O-N 3.23Å |
| 45 | L | 66 | Low | 62.1 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -128 | 74.1 | 179.2 | -61.4 | 173.3 | 0 | 0 | 0 | 109.4 | H41 V47 | H41-L45 WeakPolarHBondContact O-CA 3.18Å; H41-L45 WeakPolarHBondContact O-CB 3.45Å; H41-L45 PolarHBondContact O-N 3.41Å; L45-V47 PolarHBondContact O-N 3.26Å |
| 46 | P | 56.9 | Low | 60 | Low | 108 Ų | 108 | 120.8 Ų | 120.8 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | trans | -62.9 | 101.9 | 177.9 | 25.4 | -34.3 | 0 | 0 | 0 | 110.4 | K48 | P46-K48 PolarHBondContact O-N 2.88Å; P46-K48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | V | 53 | Low | 57.6 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 74% | 0.739 | 67% | 0.671 | S | S | * | * | trans | -65.2 | 114.3 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | L45 E49 | L45-V47 PolarHBondContact O-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.2Å | ||
| 48 | K | 50.6 | Low | 55.5 | Low | 202 Ų | 202 | 123.7 Ų | 123.7 | 88% | 0.878 | 69% | 0.693 | S | S | * | * | trans | -77.5 | 76.9 | 174.7 | -165.8 | 175.1 | -174.4 | 177.6 | 0 | 109.6 | P46 A50 | P46-K48 PolarHBondContact O-N 2.88Å; P46-K48 VanDerWaalsContact O-N 3.15Å; K48-A50 PolarHBondContact O-N 3.46Å | ||
| 49 | E | 46.3 | Very low | 53.2 | Low | 158 Ų | 158 | 124.2 Ų | 124.2 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -61.1 | 99.7 | 176.1 | -71.1 | -163.9 | 137.6 | 0 | 0 | 110.9 | V47 | V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.2Å | ||
| 50 | A | 45.7 | Very low | 50.8 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | trans | -121.7 | 140 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | K48 | K48-A50 PolarHBondContact O-N 3.46Š| ||
| 51 | I | 42.6 | Very low | 48.7 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 91% | 0.908 | 73% | 0.733 | S | S | * | * | trans | 72.9 | 77.3 | -175.5 | -43 | 170.5 | 0 | 0 | 0 | 113.4 | ||||
| 52 | L | 47.7 | Very low | 46.9 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | trans | -136.1 | 92.1 | 158.4 | -154.6 | -174.9 | 0 | 0 | 0 | 109 | ||||
| 53 | M | 37.2 | Very low | 45.5 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -162.3 | 95.1 | 168.5 | -97.5 | -53.1 | 106.2 | 0 | 0 | 112.2 | ||||
| 54 | T | 29.9 | Very low | 43.8 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -176.8 | 131.1 | 136.1 | 28.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 55 | P | 45.4 | Very low | 42.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -98.6 | 150 | -173.5 | 36.5 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 56 | S | 36.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | 56.6 | 106.7 | 147 | -57.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 57 | A | 33.2 | Very low | 39.8 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -148.8 | 157.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 58 | T | 36.1 | Very low | 38.7 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 163.8 | -166.6 | 44.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 59 | S | 31.9 | Very low | 37.7 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 100.6 | 133.2 | 140.4 | -160.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 60 | S | 33.2 | Very low | 36.9 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 55.6 | 121.3 | 145.8 | 53.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 61 | S | 36.2 | Very low | 36.1 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 147.6 | 163.4 | 58 | 0 | 0 | 0 | 0 | 112.7 | ||
| 62 | P | 40.2 | Very low | 35.6 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 147.4 | 165.7 | 33.9 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 63 | P | 45.3 | Very low | 34.8 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 162.5 | 174.3 | 34.2 | -35.5 | 0 | 0 | 0 | 112.8 | ||
| 64 | P | 39.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 151.5 | 177.3 | 31.2 | -35.9 | 0 | 0 | 0 | 112.9 | ||
| 65 | P | 39.8 | Very low | 34.2 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 147.4 | 179.2 | 31 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 66 | A | 31.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 163.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 67 | L | 33.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 130 Ų | 130 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90 | 143.9 | -176.6 | -63 | 171.4 | 0 | 0 | 0 | 113.1 | ||
| 68 | S | 31 | Very low | 33 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 112.6 | 101.5 | 150.1 | -46 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 69 | A | 28.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -161.3 | 93.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 70 | L | 28.8 | Very low | 32.2 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | 70.5 | 106.7 | 86.1 | -80 | 179 | 0 | 0 | 0 | 116.1 | |||||
| 71 | S | 29.1 | Very low | 31.9 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | 51.4 | 124.4 | 143.8 | 61.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 72 | H | 32.1 | Very low | 31.3 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | -143.3 | 164 | 120.2 | -95.2 | -75.5 | 0 | 0 | 0 | 110.1 | |||||
| 73 | F | 31.7 | Very low | 30.6 | Very low | 190 Ų | 190 | 136 Ų | 136 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -94.7 | 150.7 | -176.1 | -94.7 | -113 | 0 | 0 | 0 | 112.2 | V75 | F73-V75 HydrophobicContact CD1-CG2 4.49Š| ||
| 74 | E | 25.9 | Very low | 29.8 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -159 | 159.4 | 138.3 | -155.5 | 78.9 | -101.3 | 0 | 0 | 108.1 | ||||
| 75 | V | 27.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 144.6 | -169.1 | 166.7 | 0 | 0 | 0 | 0 | 112.3 | F73 | F73-V75 HydrophobicContact CD1-CG2 4.49Š| ||
| 76 | Q | 27.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 166.6 | 168.4 | -84.8 | -175.8 | -54.5 | 0 | 0 | 117.9 | ||||
| 77 | P | 38.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -140.2 | 170.2 | -34.5 | 36.9 | -19.5 | 0 | 0 | 0 | 116.6 | ||||
| 78 | H | 24.4 | Very low | 27.9 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | 20.9 | 120.2 | 150.8 | -51.7 | -59.5 | 0 | 0 | 0 | 124.2 | ||||
| 79 | S | 26 | Very low | 27.6 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -176.6 | 128.4 | 130.4 | 36.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 80 | S | 26.1 | Very low | 27.8 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | 87.9 | 138.1 | 44.5 | 72.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 81 | E | 25.6 | Very low | 27.9 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 73.4 | 159.6 | 172.3 | -57.5 | 177.1 | 158 | 0 | 0 | 117.3 | ||||
| 82 | C | 24 | Very low | 27.9 | Very low | 108 Ų | 108 | 145 Ų | 145 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | -171.5 | 173.8 | -53.6 | -107.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 83 | D | 25.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | 69.4 | 107.3 | 150.9 | -67.6 | -19 | 0 | 0 | 0 | 124.1 | ||||
| 84 | N | 28.4 | Very low | 28.1 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | 77.9 | 148.9 | 114.3 | -62.3 | -35.6 | 0 | 0 | 0 | 124.7 | |||||
| 85 | S | 27.6 | Very low | 28.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 61.1 | 125.4 | 163 | 39.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 86 | C | 24.3 | Very low | 28.4 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | cis | 77 | 104.8 | 24.5 | -161.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 87 | S | 25.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | 169.3 | 175 | 124.1 | -158.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 88 | M | 26.7 | Very low | 28.3 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -64.4 | 164.2 | -179.6 | -58.6 | -175.8 | 178.2 | 0 | 0 | 113.7 | ||||
| 89 | E | 26.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -163.5 | 158.3 | 61.5 | -74.2 | 174.8 | 137.2 | 0 | 0 | 109.4 | |||||
| 90 | R | 32.7 | Very low | 28.7 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | 104.8 | 104.6 | 19.1 | -159.1 | -139 | -59.5 | -154.5 | 4.6 | 114.8 | ||||
| 91 | L | 30.6 | Very low | 29 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -176.4 | 136.7 | 163.9 | -99.8 | 151.1 | 0 | 0 | 0 | 105.6 | ||||
| 92 | E | 27.9 | Very low | 29.1 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | cis | 65.3 | 139 | 27.6 | -59 | 166.7 | 178.7 | 0 | 0 | 112.3 | ||||
| 93 | E | 33.4 | Very low | 29.4 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | cis | -163.8 | 160.6 | -13.5 | -110.8 | -170.6 | 166 | 0 | 0 | 105.5 | ||||
| 94 | E | 35 | Very low | 29.9 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | cis | -160.8 | -165.2 | -11.3 | -154.3 | -74.8 | 97.4 | 0 | 0 | 104.5 | ||||
| 95 | I | 30.3 | Very low | 30.2 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | 146.7 | 107.4 | 124.5 | -72.2 | 174.5 | 0 | 0 | 0 | 113.6 | |||||
| 96 | A | 29.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | 54.7 | 158.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 97 | S | 33.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | cis | -167.4 | 176.8 | -22 | -84.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 98 | I | 31.8 | Very low | 31 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | -174.8 | 135.5 | 57.9 | -75 | 179.8 | 0 | 0 | 0 | 110.3 | |||||
| 99 | S | 30.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 51.7 | 135.5 | 146.6 | -156.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 100 | G | 27.9 | Very low | 31.4 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 114.3 | 131.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 101 | G | 31.6 | Very low | 31.4 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | cis | 159.3 | 128.5 | -13 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 102 | F | 27.7 | Very low | 31.7 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | 64.6 | 170.7 | 170.3 | -55.3 | -82.8 | 0 | 0 | 0 | 118 | ||||
| 103 | A | 30.2 | Very low | 32.1 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | cis | -173.2 | 163.1 | -47.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 104 | S | 36.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 64.1 | 126.2 | 164.9 | -69.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 105 | E | 34.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 84.6 | 116.1 | 59.1 | -177.3 | -176.1 | -147.5 | 0 | 0 | 113.6 | |||||
| 106 | L | 31.7 | Very low | 31.4 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | -176 | 146.5 | 128.3 | -103.4 | 172 | 0 | 0 | 0 | 114.8 | |||||
| 107 | T | 28.6 | Very low | 31.2 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 155 | 174.3 | -39.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 108 | L | 34.2 | Very low | 31 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -160.3 | 167.6 | 136.5 | -113 | 174.1 | 0 | 0 | 0 | 113.8 | ||||
| 109 | Q | 32.8 | Very low | 30.9 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | -147.1 | 135.8 | -160.7 | 168.2 | -170.4 | -2.4 | 0 | 0 | 110.7 | ||||
| 110 | M | 29.1 | Very low | 30.6 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -170.7 | 124.3 | 158.4 | -100.8 | 161.6 | 74.1 | 0 | 0 | 106.8 | ||||
| 111 | Q | 31.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 74.1 | 127.7 | 58 | -68.7 | -174.4 | -21.6 | 0 | 0 | 114.7 | |||||
| 112 | L | 37.2 | Very low | 31.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 165.4 | -175.6 | -69.3 | 79.5 | 0 | 0 | 0 | 112.7 | ||||
| 113 | P | 36.6 | Very low | 31.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | -126.8 | 179.2 | 125.5 | 37.1 | -30.4 | 0 | 0 | 0 | 114.7 | |||||
| 114 | L | 30 | Very low | 31 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -104.6 | -179.9 | -165.5 | -70.9 | 156.5 | 0 | 0 | 0 | 114.3 | ||||
| 115 | N | 25.4 | Very low | 30.6 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 99.1 | 124.4 | 167.6 | -55.2 | -42.9 | 0 | 0 | 0 | 114.7 | ||||
| 116 | S | 28.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 80.5 | 145.7 | 53.3 | 93.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 117 | C | 25.8 | Very low | 30.4 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | cis | -157.1 | 170.8 | 1.2 | -151.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 118 | D | 28.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 144 Ų | 144 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | 61.6 | 126.5 | 148.5 | -81.3 | -39.2 | 0 | 0 | 0 | 126.1 | ||||
| 119 | K | 29.2 | Very low | 30.6 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 37 | 137.2 | 132.2 | -51 | 174.7 | -172.9 | 90.4 | 0 | 120.6 | ||||
| 120 | L | 25.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | -174.7 | 147.5 | 71.3 | -86.5 | 172.5 | 0 | 0 | 0 | 113.2 | |||||
| 121 | L | 29 | Very low | 30.9 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 11.7 | 173 | 139 | -68.6 | 175.5 | 0 | 0 | 0 | 122.8 | ||||
| 122 | P | 44.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -136.7 | 169 | -30.8 | 35.8 | -19.3 | 0 | 0 | 0 | 114.8 | ||||
| 123 | A | 24.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -156.9 | 112.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 124 | C | 28.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -144.2 | 122.2 | 167.9 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 125 | K | 28.8 | Very low | 30.7 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 179.6 | 110.5 | 154 | -101.1 | 154.3 | -175.9 | 176 | 0 | 107.9 | ||||
| 126 | N | 33.7 | Very low | 31.5 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | 87.9 | 99.8 | 59 | -72.8 | 30.7 | 0 | 0 | 0 | 113.5 | |||||
| 127 | R | 27.4 | Very low | 32.2 | Very low | 239 Ų | 239 | 138.1 Ų | 138.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 174.8 | 143.6 | 149.8 | -99.9 | 165.9 | -177 | -85.6 | 3.9 | 108.9 | ||||
| 128 | S | 33.3 | Very low | 32.4 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -175.2 | 123.6 | -22.7 | 42.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 129 | D | 33.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 149.8 | 171.4 | -67.5 | -62.8 | 0 | 0 | 0 | 113.2 | ||||
| 130 | V | 36.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -152.7 | 142.6 | 149.9 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 131 | S | 30.5 | Very low | 32.9 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 101.5 | 103 | 167.5 | -154.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 132 | A | 35 | Very low | 33.1 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | 69.2 | 139 | 52.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 133 | D | 30.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | cis | -153.7 | 169 | 13.8 | -163.8 | 7.7 | 0 | 0 | 0 | 112.6 | ||||
| 134 | I | 31.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 170.2 | 128.5 | 141.4 | -89.3 | 158.4 | 0 | 0 | 0 | 109.6 | ||||
| 135 | Q | 34 | Very low | 32.6 | Very low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -104.8 | 159.6 | -174.5 | -65.4 | -174.4 | -0.4 | 0 | 0 | 114.3 | ||||
| 136 | P | 42.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 150.7 | 167.5 | 35.9 | -34.2 | 0 | 0 | 0 | 112.9 | ||
| 137 | P | 43.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 162.5 | 172.2 | 35.8 | -33.5 | 0 | 0 | 0 | 113.8 | ||
| 138 | T | 30.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 169.8 | -170.8 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 139 | A | 32.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 158.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 140 | N | 29.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -113.9 | 153.1 | 172.5 | -84.7 | -37.5 | 0 | 0 | 0 | 112.1 | ||||
| 141 | R | 32.3 | Very low | 32.7 | Very low | 217 Ų | 217 | 139 Ų | 139 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 139.5 | 174.4 | 174.2 | 171.2 | 172.4 | 161 | 2.6 | 103.8 | ||||
| 142 | E | 31.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 65% | 0.654 | 78% | 0.779 | S | S | * | * | cis | -162.8 | 171.5 | 39 | -152.6 | 155.2 | -139.1 | 0 | 0 | 109.5 | ||||
| 143 | V | 29.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -179.7 | 148.5 | 138.6 | 141.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 144 | L | 28.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -24.9 | 145.4 | 173.7 | -79.1 | 56.8 | 0 | 0 | 0 | 116.7 | ||||
| 145 | Q | 29.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -157.4 | 141.4 | 67.5 | -169.2 | 122 | 15.4 | 0 | 0 | 115.1 | |||||
| 146 | E | 28.1 | Very low | 32.4 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -77.3 | 157 | 163.9 | -56.5 | -177.6 | 119.9 | 0 | 0 | 111.2 | ||||
| 147 | G | 29.7 | Very low | 31.9 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 149 | -165.4 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 148 | R | 33.6 | Very low | 31.3 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 154.3 | 170.8 | -65.8 | -170.6 | 176 | -168.4 | -0.4 | 116.2 | ||||
| 149 | I | 34.9 | Very low | 31.4 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | cis | -149.8 | 166.4 | -6 | 19.5 | -168.9 | 0 | 0 | 0 | 107 | ||||
| 150 | T | 34 | Very low | 31.4 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -157.3 | 150.2 | 20.7 | -12.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | A | 35.7 | Very low | 31.4 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | 35.8 | 149.4 | 129 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 152 | E | 34.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | cis | -172.8 | -178.2 | -3.3 | -115.5 | 172.2 | 81.2 | 0 | 0 | 108.7 | ||||
| 153 | A | 33.2 | Very low | 31.2 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -161.1 | 174.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | G | 28 | Very low | 31 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | 107.7 | 107.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 155 | S | 29.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | 72.2 | 133.6 | 64.1 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 156 | T | 30.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -175.2 | 160.2 | -3.5 | 24 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 157 | L | 31.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | -177.4 | 145.7 | -16.1 | -177.1 | 81.9 | 0 | 0 | 0 | 109.1 | ||||
| 158 | S | 31.2 | Very low | 31.5 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 70.5 | 155.4 | 156.1 | -92.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 159 | R | 32.5 | Very low | 32.3 | Very low | 196 Ų | 196 | 130 Ų | 130 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | cis | -168.3 | 157.5 | -5.8 | -133.6 | 170.9 | 154.1 | 168.8 | -9.1 | 114.3 | ||||
| 160 | H | 31.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | 62.3 | 158.8 | 144.8 | -82.9 | -29.9 | 0 | 0 | 0 | 121.6 | ||||
| 161 | A | 29.9 | Very low | 31.6 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | cis | -157.4 | 173.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 162 | D | 29 | Very low | 31.1 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -70.3 | 160.1 | 179 | -50.9 | -93.9 | 0 | 0 | 0 | 116 | ||||
| 163 | L | 29.8 | Very low | 30.9 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | 174.1 | 153.7 | 120.6 | -92.1 | 167.7 | 0 | 0 | 0 | 113.9 | |||||
| 164 | L | 26.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -103.2 | 164.3 | 162.4 | -132.5 | 87.7 | 0 | 0 | 0 | 108 | ||||
| 165 | P | 47.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | -156.5 | 173.9 | 58.5 | 43.3 | -21.5 | 0 | 0 | 0 | 119.7 | |||||
| 166 | E | 25.9 | Very low | 30.9 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 141.9 | 142.6 | -86.8 | -131.9 | 122.1 | 0 | 0 | 126 | ||||
| 167 | R | 25.9 | Very low | 30.8 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | trans | 80.8 | 97.3 | 139.6 | -70.1 | -79.1 | 162.8 | 164.5 | 4.4 | 123.8 | ||||
| 168 | Q | 26.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 74.9 | 163 | 118.7 | -86.1 | -165.1 | -74.8 | 0 | 0 | 120.5 | |||||
| 169 | P | 51.3 | Low | 30.4 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | trans | -124.2 | 179.8 | -147.1 | 45 | -34.1 | 0 | 0 | 0 | 114.8 | ||||
| 170 | Q | 26.2 | Very low | 30.3 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -156.8 | 157.6 | 135.9 | -115.2 | 141.9 | 107.5 | 0 | 0 | 114.6 | ||||
| 171 | T | 26.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -68.5 | 145.6 | 174.5 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 172 | A | 25.9 | Very low | 30.7 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | -179.2 | 149.5 | 123.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 173 | Q | 29.5 | Very low | 30.6 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -88 | 158.9 | 154.6 | -121.7 | -175.5 | -2 | 0 | 0 | 108.1 | ||||
| 174 | P | 38.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | -156.6 | 160.6 | 71 | 40.9 | -19.8 | 0 | 0 | 0 | 119.6 | |||||
| 175 | Q | 27.1 | Very low | 30.7 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | 34.3 | 133 | 136.5 | -57.1 | 177.8 | -9.3 | 0 | 0 | 124.4 | ||||
| 176 | S | 25.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 71.9 | 153.9 | 143.3 | 77.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 177 | A | 28.8 | Very low | 29.8 | Very low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -157.2 | 172.4 | 14.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 178 | S | 25.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 63.4 | 129 | 153 | 59.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 179 | G | 27.6 | Very low | 30.6 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 164.5 | 73.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 180 | E | 30.2 | Very low | 29.4 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -74.4 | 168.6 | 168.6 | -95.4 | -89.3 | 121.3 | 0 | 0 | 111.8 | ||||
| 181 | P | 41.7 | Very low | 29.6 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | cis | -141.8 | 162.9 | 20.1 | 41.9 | -22.9 | 0 | 0 | 0 | 120.4 | ||||
| 182 | S | 29 | Very low | 29.7 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 64.7 | 158.1 | 136.6 | -66.2 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 183 | E | 26.7 | Very low | 29.7 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 83.5 | 71.7 | 158.7 | -52.1 | -143.4 | 148.5 | 0 | 0 | 122.2 | ||||
| 184 | T | 29.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | 43.2 | 122.2 | 121 | 48.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 185 | T | 29.7 | Very low | 29.3 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 76.3 | 144.7 | 145.4 | 66.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 186 | S | 27 | Very low | 29.1 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -154.9 | 126.6 | 164.8 | -85.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 187 | T | 26.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -102.1 | 137.1 | 178.1 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 188 | V | 41.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 124.2 | -176.1 | 177.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | R | 26.8 | Very low | 29.8 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 126.4 | 158.1 | -125.7 | 172.5 | -173.9 | 171.7 | 1.5 | 116.3 | ||||
| 190 | R | 27.5 | Very low | 29.9 | Very low | 223 Ų | 223 | 148.7 Ų | 148.7 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -45.9 | 143.5 | 162.2 | 167 | -158 | -60.8 | 149.8 | -1.2 | 114.3 | ||||
| 191 | I | 30.1 | Very low | 29.7 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -160.8 | 175.4 | 145.1 | -107.8 | 154.3 | 0 | 0 | 0 | 113 | ||||
| 192 | L | 27.9 | Very low | 29.1 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | trans | -98 | -169.2 | -157.9 | -58.8 | 75.4 | 0 | 0 | 0 | 115.4 | ||||
| 193 | F | 26.9 | Very low | 29.1 | Very low | 163 Ų | 163 | 149 Ų | 149 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | 96.8 | 151.5 | 147.8 | -60.8 | -52 | 0 | 0 | 0 | 118.4 | ||||
| 194 | Q | 25.7 | Very low | 29.1 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | cis | -166.1 | 161.1 | -22.7 | -176.7 | 161.6 | 13.9 | 0 | 0 | 110.2 | ||||
| 195 | T | 32.3 | Very low | 29.1 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -72.7 | 136.5 | -179.4 | -42.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 196 | V | 24.5 | Very low | 29 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 143.2 | 163.5 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 197 | Q | 32 | Very low | 29.1 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -100.4 | 152.1 | 172.4 | -77.6 | -160.9 | 49.3 | 0 | 0 | 112.4 | ||||
| 198 | P | 36.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -92.1 | 153 | 156.5 | 36.4 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 199 | N | 25.7 | Very low | 28.8 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -148.2 | 127.6 | -178.2 | -177.8 | 14 | 0 | 0 | 0 | 111.4 | ||||
| 200 | T | 29.9 | Very low | 28.8 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | 176 | 125.5 | 162.3 | 28.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 201 | G | 26.3 | Very low | 29.2 | Very low | 77 Ų | 77 | 144 Ų | 144 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | 93.6 | 136.4 | 84 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 202 | S | 29 | Very low | 29.2 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | -166.9 | 172.1 | 2.4 | 67.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 203 | K | 28.5 | Very low | 29.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 77.3 | 115.9 | 151.6 | -83.3 | -175.8 | 174.5 | 177.4 | 0 | 123.7 | ||||
| 204 | L | 27.7 | Very low | 29.3 | Very low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | 96.9 | 136.4 | 125.4 | -120.5 | 74.9 | 0 | 0 | 0 | 123 | |||||
| 205 | K | 28 | Very low | 29.5 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 74.4 | 118.3 | 164.3 | -69.7 | -170.6 | 175.8 | -172.1 | 0 | 116.8 | ||||
| 206 | Q | 29 | Very low | 29.3 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | 87.8 | 124.9 | 68 | -174.9 | 174.2 | 6.8 | 0 | 0 | 109.5 | |||||
| 207 | E | 29 | Very low | 29.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -158.1 | 159 | 26.7 | -150.3 | 161 | -104.5 | 0 | 0 | 113 | ||||
| 208 | K | 30.1 | Very low | 29.5 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 53.6 | 133.5 | 159.1 | -85.9 | 172 | 179.3 | 176.6 | 0 | 120.1 | ||||
| 209 | E | 31.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 59% | 0.593 | 74% | 0.738 | S | S | * | * | cis | 69.3 | 125.2 | 31.1 | -148.9 | 167.2 | -162 | 0 | 0 | 112.8 | R211 | E209-R211 HydrophobicContact CG-CB 4.23Å; E209-R211 IonicContact OE1-CZ 3.16Å; E209-R211 IonicContact OE1-NE 3.7Å; E209-R211 PolarHBondContact OE1-NE 3.21Å; E209-R211 IonicContact OE1-NH2 3.58Å; E209-R211 PolarHBondContact OE1-NH2 2.9Å | ||
| 210 | D | 27.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | cis | -112.7 | 154.8 | 42.1 | -75.8 | -57.8 | 0 | 0 | 0 | 116.2 | ||||
| 211 | R | 35.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 60% | 0.596 | 74% | 0.739 | S | S | * | * | cis | 84.8 | 136.1 | 33.6 | -179.6 | -175.8 | -76.2 | -108.6 | 7.9 | 111.9 | E209 | E209-R211 HydrophobicContact CG-CB 4.23Å; E209-R211 IonicContact OE1-CZ 3.16Å; E209-R211 IonicContact OE1-NE 3.7Å; E209-R211 PolarHBondContact OE1-NE 3.21Å; E209-R211 IonicContact OE1-NH2 3.58Å; E209-R211 PolarHBondContact OE1-NH2 2.9Å | ||
| 212 | F | 30.4 | Very low | 30.3 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | cis | -147.4 | -173.2 | 6.5 | -134.5 | 179 | 0 | 0 | 0 | 108.2 | ||||
| 213 | V | 31.1 | Very low | 30.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 62% | 0.624 | 75% | 0.745 | S | S | * | * | cis | -158.3 | 144.2 | -5.4 | 67.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 214 | C | 25.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 62.4 | 154.7 | 63.6 | -112.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 215 | S | 29.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -122.2 | -134.2 | 1.7 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 216 | S | 27.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | cis | -176.6 | 157 | -7.4 | 24.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 217 | S | 30.2 | Very low | 30.5 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | cis | -166 | 179.9 | -16.3 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 218 | V | 32 | Very low | 32 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | -86.5 | 176.8 | 163.6 | -73.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 219 | S | 31 | Very low | 31.8 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | cis | -160.3 | -172.9 | 32.8 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | S | 36.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -114.4 | 154.4 | -177.1 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 221 | S | 32.6 | Very low | 31.7 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | -174.3 | 166 | 146.9 | -85.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 222 | S | 34.4 | Very low | 31.5 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -94.7 | 164.4 | -163.1 | 54.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 223 | I | 30.2 | Very low | 31.4 | Very low | 181 Ų | 181 | 123 Ų | 123 | 93% | 0.928 | 74% | 0.743 | S | S | * | * | trans | -164.6 | 163.8 | 147.3 | -106.1 | 158.1 | 0 | 0 | 0 | 110.2 | ||||
| 224 | G | 27.1 | Very low | 31.2 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -173.5 | -172.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 225 | Q | 34.2 | Very low | 31.3 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 76.4 | 155.6 | -179.3 | -59 | -163.7 | 4.7 | 0 | 0 | 116 | ||||
| 226 | N | 29.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 57% | 0.567 | 75% | 0.751 | S | S | * | * | cis | -164.3 | 162.2 | 15.7 | -133.2 | -14.7 | 0 | 0 | 0 | 116.7 | ||||
| 227 | W | 25.1 | Very low | 31.3 | Very low | 194 Ų | 194 | 128 Ų | 128 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | 59.9 | 170 | 153.4 | -68.1 | 120.2 | 0 | 0 | 0 | 122.3 | ||||
| 228 | P | 60.6 | Low | 31.5 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | -134.8 | 164.9 | -12.6 | 21.9 | 3.2 | 0 | 0 | 0 | 120.2 | ||||
| 229 | H | 25.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 63% | 0.634 | 74% | 0.741 | S | S | * | * | trans | 38.2 | 144.7 | 147.7 | -73.1 | -104.7 | 0 | 0 | 0 | 123.3 | ||||
| 230 | S | 28.7 | Very low | 31.3 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | cis | 101.7 | 133.7 | 13 | -60 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 231 | D | 28.1 | Very low | 30.9 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 139.3 | 114.5 | 148 | -70.3 | -1.6 | 0 | 0 | 0 | 113.1 | ||||
| 232 | L | 30.9 | Very low | 30.8 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | 74 | 143.2 | 94.5 | -65.5 | 166.2 | 0 | 0 | 0 | 114.7 | |||||
| 233 | C | 28.1 | Very low | 30.6 | Very low | 95 Ų | 95 | 136 Ų | 136 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | cis | -161.4 | 167.2 | 16 | -144.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | M | 27.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | trans | 71.1 | 117.7 | 157.1 | -66.1 | -63.1 | 98.1 | 0 | 0 | 124 | ||||
| 235 | S | 27.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 30.8 | 136.8 | 126.4 | -49.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 236 | S | 29.2 | Very low | 30.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | cis | -172.9 | -170.2 | -0.4 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 237 | E | 27.7 | Very low | 31.3 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | cis | -157.1 | -123.8 | 11.4 | -154.6 | -135.9 | 75.4 | 0 | 0 | 112.9 | ||||
| 238 | S | 35.5 | Very low | 31.4 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -50.5 | 158.5 | 179.3 | -85.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 239 | Q | 28.5 | Very low | 29.9 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | cis | -157 | 152.9 | 13.8 | -134 | 163 | 71.4 | 0 | 0 | 113.8 | ||||
| 240 | S | 29.9 | Very low | 30 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 21.2 | 143.1 | 152.6 | -115.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 241 | K | 28.6 | Very low | 30.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | cis | -162.2 | 152.5 | 21.8 | -161 | 170.7 | -177.7 | 177.6 | 0 | 112.6 | ||||
| 242 | M | 31 | Very low | 30.2 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -20.8 | 137.5 | 175.5 | -45.3 | -62.6 | -109.6 | 0 | 0 | 118.3 | ||||
| 243 | Q | 29.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | 80.3 | 124.7 | 26.8 | -158.8 | 164.7 | 0.2 | 0 | 0 | 114.1 | ||||
| 244 | I | 31.8 | Very low | 30 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | cis | -148.2 | 177.6 | -5.7 | -136.7 | 170.7 | 0 | 0 | 0 | 113 | ||||
| 245 | N | 26.2 | Very low | 30 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -88.9 | 173.7 | -173.9 | -61.2 | -38.5 | 0 | 0 | 0 | 116.1 | ||||
| 246 | S | 31.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -45.7 | -169 | 135.2 | -134.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 247 | P | 45.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -133.8 | -163.1 | -3.7 | 40.9 | -21 | 0 | 0 | 0 | 113.5 | ||||
| 248 | L | 28.1 | Very low | 30 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -149.3 | 128.2 | 164.1 | -102.3 | 171.9 | 0 | 0 | 0 | 111.4 | ||||
| 249 | S | 28.7 | Very low | 29.6 | Very low | 90 Ų | 90 | 140.7 Ų | 140.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -163.5 | 160.9 | 165.9 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | D | 28.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 70.9 | 153.8 | 153.6 | -53.9 | -39.5 | 0 | 0 | 0 | 119.5 | ||||
| 251 | S | 30 | Very low | 29.4 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | cis | -168.6 | 134.3 | -5.2 | 135.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 252 | L | 30.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | 66.6 | 171.6 | 134.7 | -56.9 | 176.2 | 0 | 0 | 0 | 126.2 | ||||
| 253 | L | 28.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | 83.2 | 148.1 | 168.6 | -90.5 | 66.6 | 0 | 0 | 0 | 118.3 | ||||
| 254 | C | 26.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 68% | 0.676 | 74% | 0.744 | S | S | * | * | cis | -168.1 | 168.2 | -11.6 | -160.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 255 | C | 28.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 72% | 0.716 | 75% | 0.749 | S | S | * | * | cis | -132.9 | -125.7 | -5.9 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | I | 28.5 | Very low | 29.3 | Very low | 151 Ų | 151 | 132 Ų | 132 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | cis | -143.4 | 134.1 | 5.7 | -64.1 | 171.1 | 0 | 0 | 0 | 110.6 | ||||
| 257 | Q | 29.9 | Very low | 29.1 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 14.5 | 143.3 | 145.9 | -118.5 | 133.1 | 1.1 | 0 | 0 | 123.2 | ||||
| 258 | C | 25 | Very low | 28.3 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | -157 | 142.9 | 56.6 | -75.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 259 | K | 27.1 | Very low | 28.1 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | 63.1 | 154.6 | 145.1 | -67.1 | -172.6 | 175 | -169.9 | 0 | 119.8 | ||||
| 260 | T | 28.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | -127.2 | 171 | 5.3 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 261 | E | 27 | Very low | 28.1 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -74.1 | 179.3 | 167.9 | -45.6 | 92.6 | 162.1 | 0 | 0 | 112.5 | ||||
| 262 | D | 30.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | cis | -159.5 | 171.8 | 5 | -149 | -4.4 | 0 | 0 | 0 | 112.9 | ||||
| 263 | E | 29.1 | Very low | 28.1 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 40.3 | 148.8 | 157.4 | -75.9 | -74.5 | 101.9 | 0 | 0 | 122 | ||||
| 264 | G | 28.1 | Very low | 28.1 | Very low | 45 Ų | 45 | 141.4 Ų | 141.4 | 46% | 0.464 | 76% | 0.759 | S | S | . | * | cis | 167.2 | 160.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 265 | T | 29.1 | Very low | 28.2 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 65.9 | 155.4 | 170.6 | 65 | 0 | 0 | 0 | 0 | 121 | ||||
| 266 | V | 27.9 | Very low | 28.2 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | cis | -168.3 | 163.9 | -42.9 | 108.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 267 | S | 25.6 | Very low | 28.2 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 162.4 | 162.6 | -157.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 268 | Q | 28.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | -166 | 175.7 | -67.4 | -128.9 | -160.1 | 48.9 | 0 | 0 | 110.9 | |||||
| 269 | Y | 25.3 | Very low | 28.5 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 154.2 | 173.3 | -52.6 | -72.5 | 0 | 0 | 0 | 116.5 | ||||
| 270 | K | 28.9 | Very low | 28.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | cis | -154.4 | 119.4 | 6.4 | -139.5 | 164.4 | -173 | 172.3 | 0 | 114.6 | ||||
| 271 | R | 27.8 | Very low | 28.6 | Very low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | 62.1 | 100.5 | 127.3 | -158.4 | 177.3 | -158.5 | -177.5 | 8.2 | 124.4 | |||||
| 272 | S | 28.9 | Very low | 28.7 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 65.8 | 133.5 | 123.3 | -46.7 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 273 | K | 31.9 | Very low | 28.7 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | 113.4 | 127.1 | 155.5 | -68 | -175.9 | 175.9 | -172.9 | 0 | 112.4 | ||||
| 274 | G | 28.2 | Very low | 28.7 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | 109.6 | 124.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 275 | G | 28.6 | Very low | 28.8 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | cis | -177.4 | 178.7 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 276 | G | 27.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 97.2 | 106.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 277 | C | 30 | Very low | 28.9 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | 67 | 121.8 | 72.4 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 278 | C | 32 | Very low | 29 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | cis | -155.1 | 173.9 | 11.8 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 279 | G | 29.1 | Very low | 29 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 104.2 | 106.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 280 | F | 28.7 | Very low | 29.3 | Very low | 222 Ų | 222 | 134.3 Ų | 134.3 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | -5.6 | 137.8 | 167 | -68.8 | -90.4 | 0 | 0 | 0 | 120.8 | ||||
| 281 | S | 28.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -129.8 | 162.3 | 171.4 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 282 | D | 29.3 | Very low | 29.4 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -94.6 | 160.9 | -155.2 | -131.6 | -35.7 | 0 | 0 | 0 | 116.3 | ||||
| 283 | T | 29.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | 62.2 | 168.1 | 158.4 | 71.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 284 | H | 29.9 | Very low | 29.3 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -156.1 | 156.4 | 1.3 | -155.3 | -95.5 | 0 | 0 | 0 | 111.5 | ||||
| 285 | S | 30 | Very low | 29.4 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 62.3 | 157.3 | 156 | 31.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 286 | D | 30.2 | Very low | 29.3 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -155 | 170.5 | -6.4 | -130.3 | -49.4 | 0 | 0 | 0 | 114.4 | ||||
| 287 | C | 27.7 | Very low | 30 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 69% | 0.689 | 79% | 0.789 | S | S | * | * | trans | 33 | 121.8 | 149.8 | -76.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 288 | R | 28.4 | Very low | 29.9 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | 160.9 | 139.2 | 98.1 | -172.5 | 173.2 | -60.3 | -102.8 | -2.1 | 111.8 | |||||
| 289 | G | 28.4 | Very low | 30 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | -105.6 | 160.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 290 | T | 31.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -146.8 | 162.2 | 172.8 | 26.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 291 | H | 30.5 | Very low | 30.4 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -120.1 | 147.3 | -166.9 | -46 | -98 | 0 | 0 | 0 | 113 | ||||
| 292 | S | 28.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -156.9 | 129.4 | 146.3 | -157.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 293 | C | 28.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | 62.3 | 119.4 | 52.8 | -90.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 294 | Y | 30.1 | Very low | 31 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -134.8 | 98.6 | 152.7 | -89.2 | -68.6 | 0 | 0 | 0 | 107.5 | ||||
| 295 | D | 29.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 151 | 168 | -73.6 | -77 | 0 | 0 | 0 | 110.6 | ||||
| 296 | T | 28.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -135 | 143.7 | 152.3 | 35.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 297 | P | 42.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -94.3 | 152.1 | -142.8 | 34.4 | -37.2 | 0 | 0 | 0 | 115.1 | ||||
| 298 | T | 27.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -123.2 | 103.8 | 157.5 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 299 | L | 33.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 124.6 | 175.5 | -75.1 | 171.4 | 0 | 0 | 0 | 110.6 | ||||
| 300 | K | 32.1 | Very low | 31.8 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -107 | 108.7 | 160.1 | -81.8 | -174.8 | 174.1 | 178.2 | 0 | 109.1 | ||||
| 301 | L | 34.6 | Very low | 31.4 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -69.5 | 147.4 | 160 | -70 | 171.5 | 0 | 0 | 0 | 109.5 | ||||
| 302 | R | 35.6 | Very low | 31.3 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -148.2 | 119.9 | 172.7 | -153.2 | -179.9 | -164.3 | -168.3 | 2.6 | 110.6 | ||||
| 303 | A | 33.1 | Very low | 31.2 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 27.3 | 131.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 304 | L | 31.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | -156.7 | 169.5 | 110.4 | -105.7 | 169 | 0 | 0 | 0 | 111 | |||||
| 305 | D | 32.2 | Very low | 32.6 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -95 | 174.5 | -163.6 | -73.4 | -77 | 0 | 0 | 0 | 115.8 | ||||
| 306 | S | 30.6 | Very low | 33.6 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | 97.1 | 147.1 | 152.7 | 77.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 307 | R | 31.5 | Very low | 33.8 | Very low | 225 Ų | 225 | 140.2 Ų | 140.2 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | trans | -95 | 158.9 | -174.7 | -118.2 | 176 | 179.5 | 177.8 | -1.2 | 109.6 | ||||
| 308 | P | 38.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -144.3 | -158.7 | 71.5 | 38.5 | -18.2 | 0 | 0 | 0 | 115.2 | |||||
| 309 | S | 27.1 | Very low | 33.4 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -109 | -166.6 | -162.5 | -49.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 310 | S | 31.5 | Very low | 33.2 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 90.4 | 142 | 178 | -78.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 311 | D | 24.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -156 | 170.8 | 2.2 | -129.8 | -52.7 | 0 | 0 | 0 | 115.9 | ||||
| 312 | S | 26.9 | Very low | 34.2 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 62.9 | 110.5 | 153.9 | -165.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 313 | L | 27.7 | Very low | 34.1 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | 29.8 | 147.3 | 112 | -57.7 | 163.1 | 0 | 0 | 0 | 119.6 | |||||
| 314 | N | 31.1 | Very low | 34 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | -172.6 | -160 | 7.9 | -128.3 | -7.8 | 0 | 0 | 0 | 109 | ||||
| 315 | P | 56.9 | Low | 33.9 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | -122.9 | -152.8 | -54 | 42.4 | -25.7 | 0 | 0 | 0 | 109.7 | |||||
| 316 | P | 49.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -123.7 | -142 | -14.3 | 43.3 | -23.9 | 0 | 0 | 0 | 110.8 | ||||
| 317 | A | 33.1 | Very low | 34.4 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -161.1 | 155.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 318 | Q | 31.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | 51.1 | 147.3 | 149.1 | -65.5 | -173.4 | -84.2 | 0 | 0 | 121 | ||||
| 319 | D | 28.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | cis | -157 | 162 | -2.8 | -114.9 | -8.9 | 0 | 0 | 0 | 115 | ||||
| 320 | D | 30.1 | Very low | 34.4 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 37.2 | 104.5 | 153.5 | -94.2 | -46.5 | 0 | 0 | 0 | 127.5 | ||||
| 321 | T | 34.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | 60.1 | -170.8 | 117.1 | 70.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 322 | P | 54.7 | Low | 34.4 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | -141.9 | 175.6 | -95 | 46.3 | -27.9 | 0 | 0 | 0 | 120.9 | |||||
| 323 | A | 33.3 | Very low | 34.6 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | trans | 107.6 | 126.2 | 131.9 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 324 | R | 30.1 | Very low | 34.6 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | 82.4 | 116.4 | 132.2 | -167.6 | -170.9 | -170 | -163.7 | 7 | 122.8 | ||||
| 325 | R | 28.3 | Very low | 34.6 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | -174.2 | 167.5 | 115.5 | -93.6 | -66.6 | 174.9 | 161.9 | 2.6 | 112.4 | |||||
| 326 | Q | 30.4 | Very low | 33.2 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | trans | -116 | 173.3 | -176 | -85.8 | -106.2 | 0.3 | 0 | 0 | 109.4 | ||||
| 327 | P | 44.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | cis | -145 | -177.2 | 26.1 | 42.9 | -21.6 | 0 | 0 | 0 | 119.8 | ||||
| 328 | F | 25.9 | Very low | 32 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -72.4 | -178.9 | 168.3 | -76.5 | -76.2 | 0 | 0 | 0 | 114.1 | ||||
| 329 | P | 44 | Very low | 31.9 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -132.4 | -165.5 | 23.3 | 46 | -26.6 | 0 | 0 | 0 | 114.7 | ||||
| 330 | S | 26.2 | Very low | 32.4 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | -141.4 | 146.6 | 13.6 | -100.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 331 | E | 26.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | 57.7 | 141.1 | 85.2 | -61.2 | -177.5 | 126.8 | 0 | 0 | 116.3 | |||||
| 332 | A | 28.8 | Very low | 32.1 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | cis | -170 | 169.5 | -16.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 333 | H | 31.2 | Very low | 31.7 | Very low | 173 Ų | 173 | 143 Ų | 143 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | 70.5 | 158 | 163.5 | -53.6 | -34.1 | 0 | 0 | 0 | 116.9 | ||||
| 334 | R | 29.1 | Very low | 31.6 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | cis | -159.9 | 162.1 | -12.5 | -122.8 | -179 | -177 | -143.3 | 2 | 111 | ||||
| 335 | L | 29.9 | Very low | 31.8 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | 65.4 | 118.8 | 151.3 | -66.8 | 166.9 | 0 | 0 | 0 | 121.6 | ||||
| 336 | N | 27.9 | Very low | 31.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 32.2 | 121.5 | 128.2 | -58.1 | -5.3 | 0 | 0 | 0 | 121.7 | |||||
| 337 | Q | 30.9 | Very low | 32 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | 33.6 | 117.2 | 133.8 | -59 | -178.5 | 58.7 | 0 | 0 | 119.7 | ||||
| 338 | T | 26 | Very low | 31.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 87% | 0.871 | 74% | 0.739 | S | S | * | * | 174.9 | 136.7 | 124.6 | -76 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 339 | L | 29.7 | Very low | 31.4 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -92.5 | 163.6 | 167.4 | -91.2 | 136.2 | 0 | 0 | 0 | 109.6 | ||||
| 340 | P | 39.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | cis | -137.2 | -158.2 | 14.5 | 38.6 | -16.4 | 0 | 0 | 0 | 115 | ||||
| 341 | L | 31.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -73.4 | 156 | -178.5 | -59.3 | 101.2 | 0 | 0 | 0 | 115.7 | ||||
| 342 | S | 25.9 | Very low | 30.8 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 179.9 | 169.6 | 160.3 | -90.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 343 | P | 45.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -143.2 | -169.3 | -32.6 | 38.3 | -19.4 | 0 | 0 | 0 | 114.4 | ||||
| 344 | S | 32.6 | Very low | 31 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 83.6 | 144 | 155.7 | -54.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 345 | Q | 33.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -124.9 | 168.2 | 4.2 | -77.8 | -170.4 | 1.7 | 0 | 0 | 109.6 | ||||
| 346 | H | 30.3 | Very low | 31 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.625 | 75% | 0.75 | S | S | * | * | cis | -166 | 177.3 | -6.6 | -111.8 | -15 | 0 | 0 | 0 | 106.8 | ||||
| 347 | Q | 32.1 | Very low | 31 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | cis | -156.7 | 169.5 | -0.5 | -134.1 | 166.3 | 31.7 | 0 | 0 | 108.6 | ||||
| 348 | H | 29 | Very low | 30.9 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 47.7 | 134.7 | 157.3 | -66.3 | -54.3 | 0 | 0 | 0 | 120.9 | ||||
| 349 | T | 28.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | cis | -167.8 | 127.4 | -6.1 | -82.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 350 | V | 31 | Very low | 31.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 40.8 | 133.2 | 142.2 | -175.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 351 | D | 23.7 | Very low | 31.5 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -153.7 | 168.8 | 23 | -146 | -24 | 0 | 0 | 0 | 114.6 | ||||
| 352 | S | 31 | Very low | 31.4 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 16.6 | 149.9 | 146.7 | -71.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 353 | S | 33.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | -167.7 | 138.3 | -10.9 | -100.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 354 | Q | 30.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | 43.3 | 137.4 | 148.1 | -60.6 | -173.2 | -51.6 | 0 | 0 | 124.8 | ||||
| 355 | E | 29.4 | Very low | 30.5 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -108.4 | 170 | 157.2 | -58.4 | -177.4 | 128.5 | 0 | 0 | 111 | ||||
| 356 | T | 27.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -165.1 | 141.6 | 142.6 | 4.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 357 | H | 28.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 98.2 | 150.5 | -58.5 | -42.1 | 0 | 0 | 0 | 124.6 | ||||
| 358 | H | 28.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | 51.4 | 123 | 122.3 | -48.5 | -51.9 | 0 | 0 | 0 | 124.7 | |||||
| 359 | S | 31.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 74.6 | 118.1 | 132.8 | -58.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 360 | P | 36.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -110.6 | 152.2 | 160.4 | 37.9 | -29.5 | 0 | 0 | 0 | 114.3 | ||||
| 361 | P | 41.7 | Very low | 29.7 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -97.4 | -164.7 | 174.8 | 39.5 | -35.9 | 0 | 0 | 0 | 113.7 | ||||
| 362 | S | 28.1 | Very low | 29.7 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -110.4 | 150.7 | -160.6 | 57.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 363 | L | 28.8 | Very low | 29.5 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 49.6 | 118 | 139.8 | -65 | 169.9 | 0 | 0 | 0 | 120.3 | ||||
| 364 | S | 30.2 | Very low | 29.3 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 153.5 | 145.4 | 101.4 | -94 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 365 | E | 27.4 | Very low | 29.1 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 65 | 109.4 | 147.1 | -66.5 | -156.9 | 97 | 0 | 0 | 124.2 | ||||
| 366 | S | 29.9 | Very low | 29 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 75.5 | 119.5 | 112.9 | -55.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 367 | G | 26.6 | Very low | 29 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 140.9 | 100.4 | 135 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 368 | S | 27.2 | Very low | 29 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 62.7 | 155.2 | 145.6 | -64.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 369 | S | 25.6 | Very low | 29.2 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | cis | -168.8 | 164.5 | -20.5 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 370 | L | 28.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 124 Ų | 124 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 69.4 | 156 | 173.4 | -41.1 | 178 | 0 | 0 | 0 | 114.6 | ||||
| 371 | S | 28.6 | Very low | 29.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -145.6 | 145.5 | 12.4 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 372 | A | 25.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -163.2 | 103.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 373 | T | 26.2 | Very low | 28.8 | Very low | 151 Ų | 151 | 127 Ų | 127 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -143.2 | 135.1 | 162.2 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 374 | S | 29.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -112.8 | 152.6 | 176.6 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 375 | S | 26.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 167.8 | 120.2 | 131.9 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 376 | T | 28 | Very low | 30.2 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -175.6 | 155.8 | 163.5 | 28 | 0 | 0 | 0 | 0 | 108 | ||||
| 377 | E | 27.6 | Very low | 30.4 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -161.3 | 172 | -34.8 | -140.8 | -167.8 | 107.4 | 0 | 0 | 109.8 | ||||
| 378 | G | 28.1 | Very low | 31.6 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | 83.6 | 113 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 379 | L | 32.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | 70.2 | 117.3 | 62.2 | -151.4 | 80.9 | 0 | 0 | 0 | 111.3 | |||||
| 380 | V | 32 | Very low | 33.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | -172.8 | 138.7 | 77.9 | 155.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 381 | R | 33 | Very low | 34.3 | Very low | 203 Ų | 203 | 126.9 Ų | 126.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 44.5 | 131.9 | 149 | -167.3 | 169.3 | -162.4 | 135.3 | 26.3 | 120 | ||||
| 382 | E | 33.6 | Very low | 34.7 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -161.2 | -170.9 | 0.8 | -123.6 | 163.3 | -168.2 | 0 | 0 | 107.7 | ||||
| 383 | G | 29.3 | Very low | 35.4 | Very low | 61 Ų | 61 | 132.6 Ų | 132.6 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | cis | 164 | 177 | 1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 384 | S | 30.5 | Very low | 35.9 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | 66.4 | 143.8 | 173.9 | -68.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 385 | L | 41.3 | Very low | 36.8 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -115.3 | 165.9 | -165.3 | -89.6 | 169.5 | 0 | 0 | 0 | 110.9 | ||||
| 386 | P | 43.9 | Very low | 37.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | -149.2 | -177.5 | 50.2 | 41.9 | -20.1 | 0 | 0 | 0 | 119.1 | |||||
| 387 | S | 34.7 | Very low | 38.8 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -116.7 | 176.1 | 171.5 | -29.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 388 | P | 52.8 | Low | 39.9 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -142 | -147.1 | 35.3 | 35.7 | -8.2 | 0 | 0 | 0 | 113.4 | ||||
| 389 | P | 50.8 | Low | 40.9 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | -132.6 | 150.7 | -76.2 | 39 | -23.3 | 0 | 0 | 0 | 117.3 | |||||
| 390 | L | 37 | Very low | 41.5 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 62.2 | 170.3 | 141.5 | -73.8 | 176.8 | 0 | 0 | 0 | 118.9 | ||||
| 391 | P | 50.2 | Low | 42.3 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | cis | -143.7 | 175.5 | 17.7 | 48.1 | -30 | 0 | 0 | 0 | 120.6 | ||||
| 392 | Y | 35.6 | Very low | 43.1 | Very low | 218 Ų | 218 | 132.5 Ų | 132.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 57.7 | 106.6 | 156.8 | -53.6 | -49.4 | 0 | 0 | 0 | 121.9 | ||||
| 393 | S | 40.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -92.3 | 156.5 | 148.7 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 394 | S | 35.9 | Very low | 44.3 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -96.5 | 143.3 | 172.2 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | L396 | S394-L396 VanDerWaalsContact C-N 3.31Å; S394-L396 PolarHBondContact O-N 3.31Å | ||
| 395 | P | 49 | Very low | 45.4 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 29.5 | -150.1 | 34.8 | -40 | 0 | 0 | 0 | 116.3 | ||
| 396 | L | 46.3 | Very low | 45.7 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -9.6 | -173.6 | -63.6 | -179.2 | 0 | 0 | 0 | 115.6 | S394 | S394-L396 VanDerWaalsContact C-N 3.31Å; S394-L396 PolarHBondContact O-N 3.31Å |
| 397 | L | 49.7 | Very low | 46.2 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -98.4 | -2.2 | -171.2 | -71.8 | 171.2 | 0 | 0 | 0 | 115.7 | R399 | L397-R399 PolarHBondContact O-N 3.04Š|
| 398 | S | 50.6 | Low | 46.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 21.1 | -179 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 399 | R | 49 | Very low | 46.4 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 4.1 | -169.8 | -80.6 | -78.2 | -174.9 | 146.3 | 0.7 | 115.4 | L397 | L397-R399 PolarHBondContact O-N 3.04Š|
| 400 | F | 45.8 | Very low | 46.4 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -114 | 105.7 | 176.4 | -63.3 | -71 | 0 | 0 | 0 | 110.9 | ||||
| 401 | T | 49.6 | Very low | 46.9 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 150 | 164 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | G403 | T401-G403 VanDerWaalsContact C-N 3.29Å; T401-G403 PolarHBondContact O-N 3.32Å | ||
| 402 | P | 49.7 | Very low | 46.6 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 81.3 | 175.1 | 31.6 | -34.3 | 0 | 0 | 0 | 110.3 | ||
| 403 | G | 48.7 | Very low | 47.1 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167 | -44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | T401 | T401-G403 VanDerWaalsContact C-N 3.29Å; T401-G403 PolarHBondContact O-N 3.32Å |
| 404 | D | 39.8 | Very low | 47.3 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -94.6 | 105.9 | -176 | -75.5 | -57.2 | 0 | 0 | 0 | 112.9 | ||||
| 405 | C | 52.4 | Low | 48 | Very low | 115 Ų | 115 | 132 Ų | 132 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.6 | 164.9 | -71.1 | 0 | 0 | 0 | 0 | 110 | V407 | C405-V407 PolarHBondContact O-N 3.35Š|
| 406 | P | 47.6 | Very low | 47.7 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 122.6 | 175.3 | 26.5 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 407 | V | 54.4 | Low | 47.7 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 123.2 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 110 | C405 | C405-V407 PolarHBondContact O-N 3.35Š|
| 408 | P | 48.4 | Very low | 47 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137.5 | 178.8 | 26.8 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 409 | S | 44.5 | Very low | 46.9 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.7 | -174.8 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | R411 | S409-R411 PolarHBondContact O-N 2.89Š|
| 410 | P | 48.8 | Very low | 47 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 19.7 | -164.9 | -23.7 | 35.7 | 0 | 0 | 0 | 118.2 | ||
| 411 | R | 48.8 | Very low | 46.8 | Very low | 229 Ų | 229 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 5.4 | -173.1 | -73.1 | -177.1 | 168.5 | 162.5 | -2.9 | 115.3 | S409 | S409-R411 PolarHBondContact O-N 2.89Š|
| 412 | C | 43.9 | Very low | 46.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -136.7 | 82.9 | -177.4 | -64.8 | 0 | 0 | 0 | 0 | 114.8 | S414 | C412-S414 PolarHBondContact O-N 2.93Š| ||
| 413 | P | 46.1 | Very low | 46.7 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -80 | -6.6 | -177.9 | -16.2 | 32.3 | 0 | 0 | 0 | 116.7 | ||||
| 414 | S | 43.6 | Very low | 46.8 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -120.8 | 15.2 | -153.7 | 56.5 | 0 | 0 | 0 | 0 | 117.3 | C412 | C412-S414 PolarHBondContact O-N 2.93Š|
| 415 | L | 52.1 | Low | 47.6 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -114.9 | 8.5 | -177.2 | -85.5 | 168.7 | 0 | 0 | 0 | 115.6 | H417 | L415-H417 VanDerWaalsContact C-N 3.32Å; L415-H417 PolarHBondContact O-N 3.2Å | ||
| 416 | S | 42.9 | Very low | 47.9 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 8.8 | -178.5 | 47.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 417 | H | 45.8 | Very low | 48.4 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 37.5 | -171.9 | -144.8 | -66.8 | 0 | 0 | 0 | 115.9 | L415 | L415-H417 VanDerWaalsContact C-N 3.32Å; L415-H417 PolarHBondContact O-N 3.2Å |
| 418 | S | 35.6 | Very low | 48.6 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | trans | -97.3 | 87.6 | 170.2 | -151.7 | 0 | 0 | 0 | 0 | 111.6 | R420 | S418-R420 PolarHBondContact O-N 3.03Š| ||
| 419 | L | 47.4 | Very low | 48.9 | Very low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -67.4 | 93.4 | 168.5 | -70.4 | 168.3 | 0 | 0 | 0 | 109.3 | ||||
| 420 | R | 50.7 | Low | 48.8 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -140.2 | 17.5 | -178.8 | -77.8 | -164.6 | 171.3 | -167.8 | -1.7 | 115.3 | S418 N422 | S418-R420 PolarHBondContact O-N 3.03Å; R420-N422 PolarHBondContact O-N 3.18Å | ||
| 421 | Y | 41.6 | Very low | 48.8 | Very low | 220 Ų | 220 | 136.2 Ų | 136.2 | 86% | 0.863 | 75% | 0.753 | S | S | * | * | trans | -86.2 | 96.9 | 162.6 | -74.5 | -76.6 | 0 | 0 | 0 | 109.2 | ||||
| 422 | N | 47.4 | Very low | 48.8 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -77 | 134.5 | 155.7 | -70.8 | -39.4 | 0 | 0 | 0 | 107.3 | R420 | R420-N422 PolarHBondContact O-N 3.18Š| ||
| 423 | L | 49.4 | Very low | 48.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -101.8 | 20.1 | -179 | -70.4 | 168.4 | 0 | 0 | 0 | 112.4 | ||||
| 424 | D | 51.9 | Low | 48.5 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 44% | 0.444 | 76% | 0.756 | S | S | . | * | trans | -95.4 | 119 | -178.5 | 174.9 | 34.7 | 0 | 0 | 0 | 110.5 | D426 T427 | D424-D426 PolarHBondContact OD1-N 3.01Å; D424-T427 WeakPolarHBondContact OD2-CB 3.43Å; D424-T427 PolarHBondContact OD2-N 3.43Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å | ||
| 425 | P | 57.1 | Low | 48.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -77.2 | -21.2 | -175.9 | 30.9 | -35.6 | 0 | 0 | 0 | 114.4 | ||
| 426 | D | 58.3 | Low | 47.8 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -100.9 | -8.8 | -170.1 | -72 | -56 | 0 | 0 | 0 | 114.5 | D424 A428 | D424-D426 PolarHBondContact OD1-N 3.01Å; D426-A428 PolarHBondContact O-N 3.05Å; D426-A428 VanDerWaalsContact O-N 3.15Å |
| 427 | T | 57.6 | Low | 47.6 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -74 | 104 | 170.8 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | D424 | D424-T427 WeakPolarHBondContact OD2-CB 3.43Å; D424-T427 PolarHBondContact OD2-N 3.43Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å |
| 428 | A | 57.6 | Low | 47.4 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D426 S430 | D426-A428 PolarHBondContact O-N 3.05Å; D426-A428 VanDerWaalsContact O-N 3.15Å; A428-S430 PolarHBondContact O-N 3.31Å |
| 429 | P | 55.6 | Low | 47.4 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.4 | -176.2 | 26.9 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 430 | S | 43.3 | Very low | 47.1 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.2 | -178.2 | -42.1 | 0 | 0 | 0 | 0 | 112.6 | A428 | A428-S430 PolarHBondContact O-N 3.31Š|
| 431 | P | 48.8 | Very low | 46.6 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.9 | -179.8 | -27 | 35 | 0 | 0 | 0 | 113.4 | R433 | P431-R433 PolarHBondContact O-N 3.33Å; P431-R433 VanDerWaalsContact O-N 3.16Å |
| 432 | P | 47.1 | Very low | 46.2 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 112.5 | -173.3 | 26.8 | -34.1 | 0 | 0 | 0 | 112 | S434 | P432-S434 PolarHBondContact O-N 2.77Š| ||
| 433 | R | 38.4 | Very low | 45.5 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 104.2 | 170.3 | -92.8 | -172.8 | 167 | 175.4 | -2.4 | 111.2 | P431 Q435 | P431-R433 PolarHBondContact O-N 3.33Å; P431-R433 VanDerWaalsContact O-N 3.16Å; R433-Q435 PolarHBondContact O-N 3.1Å | ||
| 434 | S | 45.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 40.3 | 72.3 | 155 | 63.8 | 0 | 0 | 0 | 0 | 115.6 | P432 H436 | P432-S434 PolarHBondContact O-N 2.77Å; S434-H436 PolarHBondContact O-N 3.26Å | ||
| 435 | Q | 43.5 | Very low | 44.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 128.5 | 165.7 | -65.5 | -171.4 | 7.5 | 0 | 0 | 109.8 | R433 I437 | R433-Q435 PolarHBondContact O-N 3.1Å; Q435-I437 PolarHBondContact O-N 3.31Å |
| 436 | H | 38.2 | Very low | 43 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.8 | 174.6 | -158.3 | 130.2 | 0 | 0 | 0 | 109 | S434 R438 | S434-H436 PolarHBondContact O-N 3.26Å; H436-R438 PolarHBondContact O-N 3.07Å |
| 437 | I | 39.3 | Very low | 42.2 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.5 | 179.6 | -63.7 | 172.6 | 0 | 0 | 0 | 109.5 | Q435 M439 | Q435-I437 PolarHBondContact O-N 3.31Å; I437-M439 PolarHBondContact O-N 3.39Å; I437-M439 VanDerWaalsContact O-N 3.11Å |
| 438 | R | 41.1 | Very low | 41.3 | Very low | 243 Ų | 243 | 146.2 Ų | 146.2 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -77 | 94.6 | 174.5 | -71.2 | -172.5 | -70.1 | -175.3 | -2.5 | 109.8 | H436 A440 | H436-R438 PolarHBondContact O-N 3.07Å; R438-A440 PolarHBondContact O-N 3.06Å | ||
| 439 | M | 36.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -67.5 | 126.4 | 161.9 | -68.2 | -155.2 | 81.9 | 0 | 0 | 109.5 | I437 | I437-M439 PolarHBondContact O-N 3.39Å; I437-M439 VanDerWaalsContact O-N 3.11Å | ||
| 440 | A | 41.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 128.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R438 | R438-A440 PolarHBondContact O-N 3.06Š| ||
| 441 | R | 39.5 | Very low | 40.2 | Very low | 224 Ų | 224 | 150.3 Ų | 150.3 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -135 | 112 | 159.8 | -73.3 | -170.2 | 177.3 | 178.8 | -0.3 | 108.3 | ||||
| 442 | C | 34.5 | Very low | 40.6 | Very low | 137 Ų | 137 | 149 Ų | 149 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -73.7 | 127.5 | 163.8 | -61.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 443 | S | 32.2 | Very low | 42 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -135.5 | 121.6 | 162.4 | 54.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 444 | V | 31.8 | Very low | 44.4 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -56.8 | 141.2 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | A446 | V444-A446 PolarHBondContact O-N 2.77Š| ||
| 445 | P | 40.7 | Very low | 46.4 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -66.2 | 104.1 | 169.2 | 28.4 | -33.8 | 0 | 0 | 0 | 109.3 | ||||
| 446 | A | 33.5 | Very low | 48.6 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -74.3 | 124.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | V444 Q448 | V444-A446 PolarHBondContact O-N 2.77Å; A446-Q448 PolarHBondContact O-N 2.92Å; A446-Q448 VanDerWaalsContact O-N 3.12Å | ||
| 447 | E | 41.6 | Very low | 51.2 | Low | 200 Ų | 200 | 123.4 Ų | 123.4 | 94% | 0.935 | 70% | 0.702 | S | S | * | * | trans | -71.8 | 105.7 | 169.2 | -64.1 | -152.3 | 134.5 | 0 | 0 | 108.4 | ||||
| 448 | Q | 37.4 | Very low | 53.8 | Low | 164 Ų | 164 | 116.8 Ų | 116.8 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | trans | -127.2 | 103.6 | 164.3 | -171.2 | 166.3 | -7 | 0 | 0 | 108.4 | A446 D450 | A446-Q448 PolarHBondContact O-N 2.92Å; A446-Q448 VanDerWaalsContact O-N 3.12Å; Q448-D450 PolarHBondContact O-N 3.14Å; Q448-D450 VanDerWaalsContact O-N 3.09Å | ||
| 449 | E | 43.7 | Very low | 56.3 | Low | 197 Ų | 197 | 107.5 Ų | 107.5 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 94.7 | 175.9 | -178.2 | -176.1 | 176 | 0 | 0 | 109.8 | ||||
| 450 | D | 40.2 | Very low | 59.1 | Low | 124 Ų | 124 | 107.6 Ų | 107.6 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -149.6 | 98.9 | 170.9 | -129 | -38 | 0 | 0 | 0 | 112 | Q448 S452 | Q448-D450 PolarHBondContact O-N 3.14Å; Q448-D450 VanDerWaalsContact O-N 3.09Å; D450-S452 PolarHBondContact O-N 3.49Å | ||
| 451 | G | 50.7 | Low | 61.7 | Low | 82 Ų | 82 | 106 Ų | 106 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | trans | -74 | 33.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | V453 | G451-V453 PolarHBondContact O-N 3.05Š| ||
| 452 | S | 56.4 | Low | 64.5 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | trans | -73.9 | 117.9 | -169.9 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | D450 S454 | D450-S452 PolarHBondContact O-N 3.49Å; S452-S454 PolarHBondContact O-N 2.87Å | ||
| 453 | V | 76.3 | Confident | 67.5 | Low | 77 Ų | 77 | 94.2 Ų | 94.2 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | trans | -76.1 | 108.2 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | G451 A457 L458 I512 | G451-V453 PolarHBondContact O-N 3.05Å; V453-A457 HydrophobicContact CG1-CB 4.24Å; V453-L458 HydrophobicContact CG1-CB 4.37Å; V453-I512 VanDerWaalsContact O-CD1 3.3Å; V453-I512 WeakPolarHBondContact O-CD1 3.09Å | ||
| 454 | S | 88.4 | Confident | 70.6 | Confident | 70 Ų | 70 | 92.2 Ų | 92.2 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | trans | -53.7 | 144.3 | -173.4 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | S452 S456 A457 L458 | S452-S454 PolarHBondContact O-N 2.87Å; S454-S456 PolarHBondContact O-N 3.02Å; S454-S456 VanDerWaalsContact O-N 3.07Å; S454-A457 WeakPolarHBondContact O-CB 3.41Å; S454-A457 PolarHBondContact O-N 3.34Å; S454-L458 PolarHBondContact O-N 3.36Å | ||
| 455 | V | 88.6 | Confident | 73.7 | Confident | 26 Ų | 26 | 86 Ų | 86 | 16% | 0.158 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -49.9 | -38.3 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | N459 L509 I512 | V455-N459 PolarHBondContact O-N 3.14Å; V455-N459 PolarHBondContact O-ND2 2.89Å; V455-L509 HydrophobicContact CG1-CD1 3.84Å; V455-I512 HydrophobicContact CG2-CB 4.26Å; V455-I512 HydrophobicContact CG2-CG2 3.54Å |
| 456 | S | 89.7 | Confident | 76.4 | Confident | 84 Ų | 84 | 85 Ų | 85 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.9 | -46.1 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | S454 L458 N459 R460 | S454-S456 PolarHBondContact O-N 3.02Å; S454-S456 VanDerWaalsContact O-N 3.07Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.23Å; S456-N459 PolarHBondContact O-N 3.28Å; S456-R460 WeakPolarHBondContact O-CB 3.31Å; S456-R460 PolarHBondContact O-N 2.87Å |
| 457 | A | 91.6 | Very high | 79.5 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 20% | 0.198 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V453 S454 R460 H461 | V453-A457 HydrophobicContact CG1-CB 4.24Å; S454-A457 WeakPolarHBondContact O-CB 3.41Å; S454-A457 PolarHBondContact O-N 3.34Å; A457-R460 PolarHBondContact O-N 2.85Å; A457-H461 WeakPolarHBondContact O-CB 3.29Å; A457-H461 PolarHBondContact O-N 3.2Å |
| 458 | L | 93.5 | Very high | 82.1 | Confident | 6 Ų | 6 | 83.5 Ų | 83.5 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.2 | -38.9 | -178.4 | -166 | 57.6 | 0 | 0 | 0 | 112.9 | V453 S454 S456 H461 I462 Q508 L509 I512 | V453-L458 HydrophobicContact CG1-CB 4.37Å; S454-L458 PolarHBondContact O-N 3.36Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.23Å; L458-H461 PolarHBondContact O-N 3Å; L458-I462 HydrophobicContact CG-CD1 4.45Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 WeakPolarHBondContact O-CD1 3.24Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.4Å; L458-I462 PolarHBondContact O-N 2.93Å; L458-Q508 HydrophobicContact CD2-CB 3.63Å; L458-L509 HydrophobicContact CD2-CB 3.8Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å; L458-L509 VanDerWaalsContact CD2-N 3.34Å; L458-L509 HydrophobicContact CG-CB 4.21Å; L458-I512 HydrophobicContact CD2-CD1 4.24Å |
| 459 | N | 93.8 | Very high | 85 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 168.8 | -81.9 | -73.6 | 0 | 0 | 0 | 111 | V455 S456 H461 I462 H463 L509 | V455-N459 PolarHBondContact O-N 3.14Å; V455-N459 PolarHBondContact O-ND2 2.89Å; S456-N459 PolarHBondContact O-N 3.28Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 2.84Å; N459-I462 WeakPolarHBondContact O-CB 3.28Å; N459-I462 PolarHBondContact O-N 3.21Å; N459-I462 VanDerWaalsContact O-N 3.12Å; N459-H463 PolarHBondContact O-CD2 2.83Å; N459-H463 PolarHBondContact O-N 3.41Å; N459-L509 WeakPolarHBondContact ND2-CD1 3.37Å; N459-L509 VanDerWaalsContact OD1-CD2 3.31Å; N459-L509 WeakPolarHBondContact OD1-CD2 3.19Å |
| 460 | R | 95.9 | Very high | 87.5 | Confident | 157 Ų | 157 | 73.5 Ų | 73.5 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55.3 | -44.7 | 177.6 | -178.5 | 173.4 | 65.5 | -113.2 | 5 | 111.7 | S456 A457 H463 T464 | S456-R460 WeakPolarHBondContact O-CB 3.31Å; S456-R460 PolarHBondContact O-N 2.87Å; A457-R460 PolarHBondContact O-N 2.85Å; R460-H463 PolarHBondContact O-N 3.29Å; R460-T464 PolarHBondContact O-N 2.95Å; R460-T464 PolarHBondContact O-OG1 3.5Å |
| 461 | H | 96.5 | Very high | 90.2 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.3 | 178.7 | 92.2 | 0 | 0 | 0 | 112 | A457 L458 N459 H463 T464 L465 E501 S505 | A457-H461 WeakPolarHBondContact O-CB 3.29Å; A457-H461 PolarHBondContact O-N 3.2Å; L458-H461 PolarHBondContact O-N 3Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 2.84Å; H461-H463 VanDerWaalsContact C-N 3.3Å; H461-H463 PolarHBondContact O-N 3.34Å; H461-T464 WeakPolarHBondContact O-CB 3.49Å; H461-T464 PolarHBondContact O-N 3.09Å; H461-T464 VanDerWaalsContact O-N 3.09Å; H461-L465 WeakPolarHBondContact NE2-CD1 3.3Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 3.09Å; H461-E501 IonicContact CE1-OE1 3.33Å; H461-E501 PolarHBondContact CE1-OE1 2.78Å; H461-E501 IonicContact NE2-OE1 3.56Å; H461-S505 PolarHBondContact CD2-OG 3.27Å; H461-S505 PolarHBondContact NE2-OG 2.7Å |
| 462 | I | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 173.6 | -74.9 | 162.9 | 0 | 0 | 0 | 112.2 | L458 N459 R466 L502 R506 L509 | L458-I462 HydrophobicContact CG-CD1 4.45Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 WeakPolarHBondContact O-CD1 3.24Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.4Å; L458-I462 PolarHBondContact O-N 2.93Å; N459-I462 WeakPolarHBondContact O-CB 3.28Å; N459-I462 PolarHBondContact O-N 3.21Å; N459-I462 VanDerWaalsContact O-N 3.12Å; I462-R466 WeakPolarHBondContact O-CG 3.22Å; I462-R466 PolarHBondContact O-N 3.2Å; I462-L502 HydrophobicContact CB-CD1 4.38Å; I462-L502 HydrophobicContact CG1-CD1 4.38Å; I462-L502 HydrophobicContact CG2-CD1 3.86Å; I462-R506 HydrophobicContact CD1-CG 4.2Å; I462-L509 HydrophobicContact CD1-CB 4.03Å; I462-L509 HydrophobicContact CD1-CD2 3.56Å; I462-L509 HydrophobicContact CD1-CG 4.41Å |
| 463 | H | 97.1 | Very high | 94.2 | Very high | 111 Ų | 111 | 69.8 Ų | 69.8 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175 | -78.7 | -81.2 | 0 | 0 | 0 | 112 | N459 R460 H461 R466 K467 | N459-H463 PolarHBondContact O-CD2 2.83Å; N459-H463 PolarHBondContact O-N 3.41Å; R460-H463 PolarHBondContact O-N 3.29Å; H461-H463 VanDerWaalsContact C-N 3.3Å; H461-H463 PolarHBondContact O-N 3.34Å; H463-R466 PolarHBondContact O-N 3.15Å; H463-K467 PolarHBondContact O-N 3.15Å |
| 464 | T | 97.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 69.9 Ų | 69.9 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | R460 H461 K467 K468 | R460-T464 PolarHBondContact O-N 2.95Å; R460-T464 PolarHBondContact O-OG1 3.5Å; H461-T464 WeakPolarHBondContact O-CB 3.49Å; H461-T464 PolarHBondContact O-N 3.09Å; H461-T464 VanDerWaalsContact O-N 3.09Å; T464-K467 WeakPolarHBondContact O-CB 3.21Å; T464-K467 PolarHBondContact O-N 2.84Å; T464-K467 VanDerWaalsContact O-N 3.08Å; T464-K468 PolarHBondContact O-N 2.97Å |
| 465 | L | 97.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.5 | -65.9 | 179.8 | 0 | 0 | 0 | 111.9 | H461 K467 K468 I469 L498 E501 L502 | H461-L465 WeakPolarHBondContact NE2-CD1 3.3Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 3.09Å; L465-K467 PolarHBondContact O-N 3.01Å; L465-K468 PolarHBondContact O-N 3.49Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 2.99Å; L465-L498 HydrophobicContact CD2-CD2 3.46Å; L465-L498 VanDerWaalsContact CD2-CD2 3.46Å; L465-E501 HydrophobicContact CD1-CB 4Å; L465-E501 HydrophobicContact CD1-CG 3.94Å; L465-E501 HydrophobicContact CD2-CB 4.39Å; L465-E501 HydrophobicContact CD2-CG 4.33Å; L465-E501 WeakPolarHBondContact CD2-OE2 3.45Å; L465-L502 HydrophobicContact CB-CB 4.26Å; L465-L502 HydrophobicContact CB-CD1 4.28Å; L465-L502 VanDerWaalsContact CD1-CA 3.48Å; L465-L502 HydrophobicContact CD1-CB 3.91Å; L465-L502 HydrophobicContact CD1-CD1 4.47Å |
| 466 | R | 97.2 | Very high | 95.9 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.4 | -25.5 | 173.6 | -68 | -175.9 | -146.7 | -168.8 | 10.7 | 113.1 | I462 H463 R470 L502 | I462-R466 WeakPolarHBondContact O-CG 3.22Å; I462-R466 PolarHBondContact O-N 3.2Å; H463-R466 PolarHBondContact O-N 3.15Å; R466-R470 WeakPolarHBondContact O-CB 3.47Å; R466-R470 PolarHBondContact O-N 3.01Å; R466-R470 PolarHBondContact O-NE 3.27Å; R466-L502 HydrophobicContact CG-CD1 4.03Å; R466-L502 HydrophobicContact CG-CD2 4.06Å |
| 467 | K | 98 | Very high | 96.2 | Very high | 136 Ų | 136 | 70.7 Ų | 70.7 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -78.2 | -42.7 | 174.3 | -168.9 | 175.2 | -178.1 | 178.6 | 0 | 111.2 | H463 T464 L465 R470 R471 | H463-K467 PolarHBondContact O-N 3.15Å; T464-K467 WeakPolarHBondContact O-CB 3.21Å; T464-K467 PolarHBondContact O-N 2.84Å; T464-K467 VanDerWaalsContact O-N 3.08Å; L465-K467 PolarHBondContact O-N 3.01Å; K467-R470 PolarHBondContact O-N 3.23Å; K467-R471 PolarHBondContact O-N 3.27Å |
| 468 | K | 97.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 75 Ų | 75 | 53% | 0.53 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.1 | -71.9 | -172.8 | 173 | -171.8 | 0 | 112.3 | T464 L465 R470 R471 F472 L498 | T464-K468 PolarHBondContact O-N 2.97Å; L465-K468 PolarHBondContact O-N 3.49Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.02Å; K468-R471 PolarHBondContact O-N 2.93Å; K468-F472 PolarHBondContact O-N 3.46Å; K468-L498 HydrophobicContact CB-CD1 3.71Å; K468-L498 HydrophobicContact CB-CD2 4.18Å; K468-L498 HydrophobicContact CD-CD1 4.28Å; K468-L498 HydrophobicContact CD-CD2 3.67Å |
| 469 | I | 96.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.2 | -66 | 163.2 | 0 | 0 | 0 | 110.3 | L465 R471 F472 E473 L498 M499 L502 | L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 2.99Å; I469-R471 PolarHBondContact O-N 2.96Å; I469-F472 WeakPolarHBondContact O-CB 3.27Å; I469-F472 PolarHBondContact O-N 3.24Å; I469-F472 VanDerWaalsContact O-N 3.1Å; I469-E473 HydrophobicContact CG2-CG 4.36Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.2Å; I469-L498 HydrophobicContact CD1-CB 4.19Å; I469-L498 HydrophobicContact CG1-CB 3.85Å; I469-L498 HydrophobicContact CG1-CD1 4.48Å; I469-M499 HydrophobicContact CD1-CG 3.91Å; I469-M499 HydrophobicContact CG1-CG 4.44Å; I469-L502 HydrophobicContact CD1-CB 4.48Å; I469-L502 HydrophobicContact CD1-CD2 3.79Å |
| 470 | R | 96.9 | Very high | 96.3 | Very high | 138 Ų | 138 | 84.9 Ų | 84.9 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -32.1 | 177 | -85.1 | 176.2 | -66.2 | -175.3 | 8.9 | 114.3 | R466 K467 K468 F472 E473 E474 | R466-R470 WeakPolarHBondContact O-CB 3.47Å; R466-R470 PolarHBondContact O-N 3.01Å; R466-R470 PolarHBondContact O-NE 3.27Å; K467-R470 PolarHBondContact O-N 3.23Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.02Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 3.21Å; R470-E473 WeakPolarHBondContact CG-OE2 3.41Å; R470-E473 PolarHBondContact O-N 2.94Å; R470-E474 WeakPolarHBondContact O-CB 3.36Å; R470-E474 PolarHBondContact O-N 3.43Å |
| 471 | R | 96.4 | Very high | 96 | Very high | 149 Ų | 149 | 85.3 Ų | 85.3 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -33.8 | 171.3 | -77.3 | -48 | -150.3 | -164.8 | 11.4 | 112.6 | K467 K468 I469 E474 H475 | K467-R471 PolarHBondContact O-N 3.27Å; K468-R471 PolarHBondContact O-N 2.93Å; I469-R471 PolarHBondContact O-N 2.96Å; R471-E474 WeakPolarHBondContact CD-OE2 3.47Å; R471-E474 IonicContact CZ-OE2 3.53Å; R471-E474 IonicContact NE-OE2 3.66Å; R471-E474 IonicContact NH1-OE1 2.87Å; R471-E474 PolarHBondContact NH1-OE1 3.41Å; R471-E474 IonicContact NH1-OE2 2.7Å; R471-E474 PolarHBondContact NH1-OE2 3.04Å; R471-H475 VanDerWaalsContact O-CB 3.31Å; R471-H475 WeakPolarHBondContact O-CB 3.4Å; R471-H475 PolarHBondContact O-N 2.99Å |
| 472 | F | 96.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 87.9 Ų | 87.9 | 11% | 0.114 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.7 | -43.4 | 170.4 | 169.6 | -100.1 | 0 | 0 | 0 | 112 | K468 I469 R470 E474 H475 F476 P484 K489 H492 V495 | K468-F472 PolarHBondContact O-N 3.46Å; I469-F472 WeakPolarHBondContact O-CB 3.27Å; I469-F472 PolarHBondContact O-N 3.24Å; I469-F472 VanDerWaalsContact O-N 3.1Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 3.21Å; F472-E474 VanDerWaalsContact C-N 3.26Å; F472-E474 PolarHBondContact O-N 2.88Å; F472-H475 PolarHBondContact O-N 3.14Å; F472-F476 HydrophobicContact CE1-CB 4.46Å; F472-F476 HydrophobicContact CE1-CD2 4.38Å; F472-F476 HydrophobicContact CE2-CB 4.18Å; F472-F476 HydrophobicContact CE2-CD2 4.05Å; F472-F476 HydrophobicContact CZ-CB 4.12Å; F472-F476 AromaticContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CE2 4.38Å; F472-F476 HydrophobicContact CZ-CG 4.19Å; F472-F476 VanDerWaalsContact O-CB 3.28Å; F472-F476 WeakPolarHBondContact O-CB 3.47Å; F472-F476 PolarHBondContact O-N 3.22Å; F472-P484 HydrophobicContact CE1-CB 4.44Å; F472-K489 HydrophobicContact CD1-CG 4.26Å; F472-K489 HydrophobicContact CE1-CB 4.47Å; F472-K489 HydrophobicContact CE1-CG 3.88Å; F472-H492 AromaticContact CD2-CD2 3.86Å; F472-H492 HydrophobicContact CE2-CB 4.08Å; F472-H492 AromaticContact CE2-CD2 3.37Å; F472-H492 WeakPolarHBondContact CE2-CD2 3.41Å; F472-H492 AromaticContact CE2-CG 3.94Å; F472-H492 HydrophobicContact CZ-CB 4.03Å; F472-V495 HydrophobicContact CB-CG2 3.78Å; F472-V495 HydrophobicContact CD1-CB 4.22Å; F472-V495 HydrophobicContact CD1-CG1 3.77Å; F472-V495 HydrophobicContact CD1-CG2 3.52Å; F472-V495 HydrophobicContact CD2-CG2 3.65Å; F472-V495 HydrophobicContact CE1-CG1 4.2Å; F472-V495 HydrophobicContact CE1-CG2 3.96Å; F472-V495 HydrophobicContact CE2-CG2 4.11Å; F472-V495 HydrophobicContact CG-CB 4.46Å; F472-V495 HydrophobicContact CG-CG1 4.34Å; F472-V495 HydrophobicContact CG-CG2 3.32Å; F472-V495 HydrophobicContact CZ-CG2 4.23Å |
| 473 | E | 96.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 94.5 Ų | 94.5 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 177.5 | -66.6 | 175.7 | 141.6 | 0 | 0 | 111.6 | I469 R470 E477 P484 K489 | I469-E473 HydrophobicContact CG2-CG 4.36Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.2Å; R470-E473 WeakPolarHBondContact CG-OE2 3.41Å; R470-E473 PolarHBondContact O-N 2.94Å; E473-E477 VanDerWaalsContact O-CB 3.24Å; E473-E477 WeakPolarHBondContact O-CB 3.45Å; E473-E477 PolarHBondContact O-N 3.43Å; E473-E477 VanDerWaalsContact O-N 3.15Å; E473-P484 HydrophobicContact CB-CG 4.2Å; E473-P484 HydrophobicContact CG-CG 4.24Å; E473-K489 HydrophobicContact CG-CD 4.29Å; E473-K489 VanDerWaalsContact OE1-CE 3.31Å; E473-K489 WeakPolarHBondContact OE1-CE 3.47Å; E473-K489 IonicContact OE1-NZ 3.45Å; E473-K489 PolarHBondContact OE1-NZ 3.04Å |
| 474 | E | 96.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 89.4 Ų | 89.4 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -60.6 | 172.4 | -174.6 | 175.4 | -157.6 | 0 | 0 | 111.1 | R470 R471 F472 F476 E477 Q478 | R470-E474 WeakPolarHBondContact O-CB 3.36Å; R470-E474 PolarHBondContact O-N 3.43Å; R471-E474 WeakPolarHBondContact CD-OE2 3.47Å; R471-E474 IonicContact CZ-OE2 3.53Å; R471-E474 IonicContact NE-OE2 3.66Å; R471-E474 IonicContact NH1-OE1 2.87Å; R471-E474 PolarHBondContact NH1-OE1 3.41Å; R471-E474 IonicContact NH1-OE2 2.7Å; R471-E474 PolarHBondContact NH1-OE2 3.04Å; F472-E474 VanDerWaalsContact C-N 3.26Å; F472-E474 PolarHBondContact O-N 2.88Å; E474-F476 PolarHBondContact O-N 3.37Å; E474-E477 PolarHBondContact O-N 3.46Å; E474-Q478 VanDerWaalsContact C-OE1 3.31Å; E474-Q478 PolarHBondContact O-N 2.91Å; E474-Q478 PolarHBondContact O-NE2 3.32Å; E474-Q478 PolarHBondContact O-OE1 3.35Å |
| 475 | H | 95.3 | Very high | 95.3 | Very high | 107 Ų | 107 | 88.9 Ų | 88.9 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.9 | -46.4 | -178.1 | -167 | -82.5 | 0 | 0 | 0 | 113.1 | R471 F472 E477 Q478 E479 | R471-H475 VanDerWaalsContact O-CB 3.31Å; R471-H475 WeakPolarHBondContact O-CB 3.4Å; R471-H475 PolarHBondContact O-N 2.99Å; F472-H475 PolarHBondContact O-N 3.14Å; H475-E477 PolarHBondContact O-N 2.84Å; H475-Q478 WeakPolarHBondContact O-CB 3.17Å; H475-Q478 PolarHBondContact O-N 2.99Å; H475-E479 IonicContact CE1-OE1 2.72Å; H475-E479 PolarHBondContact CE1-OE1 3.35Å; H475-E479 IonicContact CE1-OE2 2.73Å; H475-E479 PolarHBondContact CE1-OE2 3.12Å; H475-E479 VanDerWaalsContact CE1-OE2 3.31Å; H475-E479 IonicContact CG-OE2 3.2Å; H475-E479 IonicContact ND1-OE1 3.52Å; H475-E479 IonicContact ND1-OE2 3.23Å; H475-E479 PolarHBondContact ND1-OE2 3.08Å; H475-E479 WeakPolarHBondContact O-CG 3.49Å; H475-E479 PolarHBondContact O-N 3.04Å |
| 476 | F | 96.6 | Very high | 95 | Very high | 18 Ų | 18 | 95 Ų | 95 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178 | -176.5 | -72.9 | 0 | 0 | 0 | 111.6 | F472 E474 Q478 E479 R480 Y482 P484 D488 | F472-F476 HydrophobicContact CE1-CB 4.46Å; F472-F476 HydrophobicContact CE1-CD2 4.38Å; F472-F476 HydrophobicContact CE2-CB 4.18Å; F472-F476 HydrophobicContact CE2-CD2 4.05Å; F472-F476 HydrophobicContact CZ-CB 4.12Å; F472-F476 AromaticContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CE2 4.38Å; F472-F476 HydrophobicContact CZ-CG 4.19Å; F472-F476 VanDerWaalsContact O-CB 3.28Å; F472-F476 WeakPolarHBondContact O-CB 3.47Å; F472-F476 PolarHBondContact O-N 3.22Å; E474-F476 PolarHBondContact O-N 3.37Å; F476-Q478 VanDerWaalsContact C-N 3.27Å; F476-Q478 PolarHBondContact O-N 3.03Å; F476-E479 PolarHBondContact O-N 3.46Å; F476-R480 HydrophobicContact CD1-CB 3.97Å; F476-R480 HydrophobicContact CD1-CG 3.85Å; F476-R480 HydrophobicContact CD2-CG 4.24Å; F476-R480 HydrophobicContact CE1-CB 3.76Å; F476-R480 HydrophobicContact CE1-CG 3.65Å; F476-R480 HydrophobicContact CE2-CG 4.06Å; F476-R480 HydrophobicContact CG-CG 4.16Å; F476-R480 HydrophobicContact CZ-CB 4.34Å; F476-R480 HydrophobicContact CZ-CG 3.78Å; F476-R480 VanDerWaalsContact O-CB 3.3Å; F476-R480 WeakPolarHBondContact O-CB 3.37Å; F476-R480 PolarHBondContact O-N 2.9Å; F476-Y482 HydrophobicContact CE1-CD2 4.02Å; F476-Y482 AromaticContact CE1-CE2 3.5Å; F476-Y482 HydrophobicContact CE1-CE2 3.5Å; F476-Y482 VanDerWaalsContact CE1-CE2 3.5Å; F476-Y482 AromaticContact CE1-CZ 3.78Å; F476-Y482 AromaticContact CZ-CE2 3.87Å; F476-Y482 HydrophobicContact CZ-CE2 3.87Å; F476-Y482 AromaticContact CZ-CZ 3.9Å; F476-P484 HydrophobicContact CB-CB 4.45Å; F476-P484 HydrophobicContact CB-CG 4.02Å; F476-P484 HydrophobicContact CD1-CB 3.54Å; F476-P484 HydrophobicContact CD1-CG 3.72Å; F476-P484 HydrophobicContact CD2-CB 4.34Å; F476-P484 HydrophobicContact CE1-CB 3.69Å; F476-P484 HydrophobicContact CE1-CG 4.35Å; F476-P484 HydrophobicContact CE2-CB 4.47Å; F476-P484 HydrophobicContact CG-CB 3.88Å; F476-P484 HydrophobicContact CG-CG 3.96Å; F476-P484 HydrophobicContact CZ-CB 4.16Å; F476-D488 HydrophobicContact CE1-CB 4.44Å; F476-D488 HydrophobicContact CE2-CB 3.76Å; F476-D488 HydrophobicContact CZ-CB 3.66Å |
| 477 | E | 95.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 96 Ų | 96 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.7 | -28 | 177.2 | -168.7 | 162.6 | -166.9 | 0 | 0 | 111.4 | E473 E474 H475 H481 K483 | E473-E477 VanDerWaalsContact O-CB 3.24Å; E473-E477 WeakPolarHBondContact O-CB 3.45Å; E473-E477 PolarHBondContact O-N 3.43Å; E473-E477 VanDerWaalsContact O-N 3.15Å; E474-E477 PolarHBondContact O-N 3.46Å; H475-E477 PolarHBondContact O-N 2.84Å; E477-H481 VanDerWaalsContact O-CA 3.31Å; E477-H481 WeakPolarHBondContact O-CA 3.34Å; E477-H481 PolarHBondContact O-N 3.45Å; E477-H481 VanDerWaalsContact O-N 3.15Å; E477-K483 IonicContact OE2-NZ 3.99Å |
| 478 | Q | 96.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.2 | -43.7 | 166 | -80 | 85.8 | 83.3 | 0 | 0 | 113.3 | E474 H475 F476 H481 | E474-Q478 VanDerWaalsContact C-OE1 3.31Å; E474-Q478 PolarHBondContact O-N 2.91Å; E474-Q478 PolarHBondContact O-NE2 3.32Å; E474-Q478 PolarHBondContact O-OE1 3.35Å; H475-Q478 WeakPolarHBondContact O-CB 3.17Å; H475-Q478 PolarHBondContact O-N 2.99Å; F476-Q478 VanDerWaalsContact C-N 3.27Å; F476-Q478 PolarHBondContact O-N 3.03Å; Q478-H481 PolarHBondContact O-CE1 2.95Å; Q478-H481 PolarHBondContact O-ND1 3.12Å |
| 479 | E | 94.1 | Very high | 94.4 | Very high | 110 Ų | 110 | 86.5 Ų | 86.5 | 51% | 0.514 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.1 | -27.1 | -176.5 | -72.6 | 177.8 | 120.6 | 0 | 0 | 114.8 | H475 F476 | H475-E479 IonicContact CE1-OE1 2.72Å; H475-E479 PolarHBondContact CE1-OE1 3.35Å; H475-E479 IonicContact CE1-OE2 2.73Å; H475-E479 PolarHBondContact CE1-OE2 3.12Å; H475-E479 VanDerWaalsContact CE1-OE2 3.31Å; H475-E479 IonicContact CG-OE2 3.2Å; H475-E479 IonicContact ND1-OE1 3.52Å; H475-E479 IonicContact ND1-OE2 3.23Å; H475-E479 PolarHBondContact ND1-OE2 3.08Å; H475-E479 WeakPolarHBondContact O-CG 3.49Å; H475-E479 PolarHBondContact O-N 3.04Å; F476-E479 PolarHBondContact O-N 3.46Å |
| 480 | R | 90.6 | Very high | 94.2 | Very high | 151 Ų | 151 | 88.9 Ų | 88.9 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -117 | -11.2 | -172.1 | -59 | -55.1 | -168.8 | -157.4 | 3 | 114 | F476 Y482 | F476-R480 HydrophobicContact CD1-CB 3.97Å; F476-R480 HydrophobicContact CD1-CG 3.85Å; F476-R480 HydrophobicContact CD2-CG 4.24Å; F476-R480 HydrophobicContact CE1-CB 3.76Å; F476-R480 HydrophobicContact CE1-CG 3.65Å; F476-R480 HydrophobicContact CE2-CG 4.06Å; F476-R480 HydrophobicContact CG-CG 4.16Å; F476-R480 HydrophobicContact CZ-CB 4.34Å; F476-R480 HydrophobicContact CZ-CG 3.78Å; F476-R480 VanDerWaalsContact O-CB 3.3Å; F476-R480 WeakPolarHBondContact O-CB 3.37Å; F476-R480 PolarHBondContact O-N 2.9Å; R480-Y482 HydrophobicContact CB-CD1 3.9Å; R480-Y482 HydrophobicContact CB-CE1 3.68Å; R480-Y482 HydrophobicContact CG-CE1 4.45Å; R480-Y482 VanDerWaalsContact O-CD1 3.22Å; R480-Y482 WeakPolarHBondContact O-CD1 3.24Å; R480-Y482 PolarHBondContact O-N 2.88Å; R480-Y482 VanDerWaalsContact O-N 3.09Å |
| 481 | H | 90.2 | Very high | 93.9 | Very high | 166 Ų | 166 | 86.1 Ų | 86.1 | 77% | 0.769 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 56.8 | 19 | -176.5 | -51.1 | -41.9 | 0 | 0 | 0 | 114.8 | E477 Q478 | E477-H481 VanDerWaalsContact O-CA 3.31Å; E477-H481 WeakPolarHBondContact O-CA 3.34Å; E477-H481 PolarHBondContact O-N 3.45Å; E477-H481 VanDerWaalsContact O-N 3.15Å; Q478-H481 PolarHBondContact O-CE1 2.95Å; Q478-H481 PolarHBondContact O-ND1 3.12Å |
| 482 | Y | 93.9 | Very high | 93.8 | Very high | 120 Ų | 120 | 82.7 Ų | 82.7 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -138.8 | 151.5 | 165.4 | 67 | -93.5 | 0 | 0 | 0 | 110.5 | F476 R480 | F476-Y482 HydrophobicContact CE1-CD2 4.02Å; F476-Y482 AromaticContact CE1-CE2 3.5Å; F476-Y482 HydrophobicContact CE1-CE2 3.5Å; F476-Y482 VanDerWaalsContact CE1-CE2 3.5Å; F476-Y482 AromaticContact CE1-CZ 3.78Å; F476-Y482 AromaticContact CZ-CE2 3.87Å; F476-Y482 HydrophobicContact CZ-CE2 3.87Å; F476-Y482 AromaticContact CZ-CZ 3.9Å; R480-Y482 HydrophobicContact CB-CD1 3.9Å; R480-Y482 HydrophobicContact CB-CE1 3.68Å; R480-Y482 HydrophobicContact CG-CE1 4.45Å; R480-Y482 VanDerWaalsContact O-CD1 3.22Å; R480-Y482 WeakPolarHBondContact O-CD1 3.24Å; R480-Y482 PolarHBondContact O-N 2.88Å; R480-Y482 VanDerWaalsContact O-N 3.09Å |
| 483 | K | 93.3 | Very high | 93.7 | Very high | 139 Ų | 139 | 84.8 Ų | 84.8 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | trans | -70 | 126 | -179.9 | -167.5 | 174.2 | -152.8 | 114 | 0 | 110.5 | E477 A485 | E477-K483 IonicContact OE2-NZ 3.99Å; K483-A485 PolarHBondContact O-N 3.26Å | ||
| 484 | P | 93.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | trans | -61.6 | 135.1 | -176.7 | 18.5 | -26.6 | 0 | 0 | 0 | 111.8 | F472 E473 F476 D488 K489 | F472-P484 HydrophobicContact CE1-CB 4.44Å; E473-P484 HydrophobicContact CB-CG 4.2Å; E473-P484 HydrophobicContact CG-CG 4.24Å; F476-P484 HydrophobicContact CB-CB 4.45Å; F476-P484 HydrophobicContact CB-CG 4.02Å; F476-P484 HydrophobicContact CD1-CB 3.54Å; F476-P484 HydrophobicContact CD1-CG 3.72Å; F476-P484 HydrophobicContact CD2-CB 4.34Å; F476-P484 HydrophobicContact CE1-CB 3.69Å; F476-P484 HydrophobicContact CE1-CG 4.35Å; F476-P484 HydrophobicContact CE2-CB 4.47Å; F476-P484 HydrophobicContact CG-CB 3.88Å; F476-P484 HydrophobicContact CG-CG 3.96Å; F476-P484 HydrophobicContact CZ-CB 4.16Å; P484-D488 HydrophobicContact CB-CB 3.74Å; P484-K489 HydrophobicContact CB-CG 4.3Å; P484-K489 WeakPolarHBondContact O-CE 2.92Å; P484-K489 PolarHBondContact O-NZ 3.42Å | ||
| 485 | A | 92.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 83 Ų | 83 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | trans | -78.2 | -170.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K483 D488 K489 | K483-A485 PolarHBondContact O-N 3.26Å; A485-D488 WeakPolarHBondContact CA-OD2 3.48Å; A485-D488 WeakPolarHBondContact CB-OD2 3.35Å; A485-D488 PolarHBondContact N-OD2 2.85Å; A485-K489 WeakPolarHBondContact O-CD 3.24Å; A485-K489 VanDerWaalsContact O-CE 3.24Å; A485-K489 WeakPolarHBondContact O-CE 3.41Å; A485-K489 WeakPolarHBondContact O-CG 3.27Å | ||
| 486 | H | 92.4 | Very high | 93.7 | Very high | 134 Ų | 134 | 78.6 Ų | 78.6 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 175.2 | -171.8 | 71.7 | 0 | 0 | 0 | 111.9 | D488 K489 T490 | H486-D488 PolarHBondContact O-N 2.84Å; H486-K489 PolarHBondContact O-N 3.39Å; H486-T490 PolarHBondContact O-N 3.4Å; H486-T490 PolarHBondContact O-OG1 2.75Å |
| 487 | N | 94.3 | Very high | 93.7 | Very high | 115 Ų | 115 | 83.6 Ų | 83.6 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.5 | -48.9 | -177.7 | -165.6 | -72.8 | 0 | 0 | 0 | 111.2 | K489 T490 S491 | N487-K489 PolarHBondContact O-N 3.48Å; N487-T490 WeakPolarHBondContact CA-OG1 3.39Å; N487-T490 CarbonylContact O-C 3.53Å; N487-T490 WeakPolarHBondContact O-CA 3.42Å; N487-T490 PolarHBondContact O-N 3.08Å; N487-T490 PolarHBondContact O-OG1 3.21Å; N487-S491 PolarHBondContact O-N 3.32Å; N487-S491 PolarHBondContact O-OG 3.2Å |
| 488 | D | 92.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 81.4 Ų | 81.4 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.1 | -33.4 | -179.8 | -49.7 | -51.3 | 0 | 0 | 0 | 113.7 | F476 P484 A485 H486 T490 S491 | F476-D488 HydrophobicContact CE1-CB 4.44Å; F476-D488 HydrophobicContact CE2-CB 3.76Å; F476-D488 HydrophobicContact CZ-CB 3.66Å; P484-D488 HydrophobicContact CB-CB 3.74Å; A485-D488 WeakPolarHBondContact CA-OD2 3.48Å; A485-D488 WeakPolarHBondContact CB-OD2 3.35Å; A485-D488 PolarHBondContact N-OD2 2.85Å; H486-D488 PolarHBondContact O-N 2.84Å; D488-T490 VanDerWaalsContact C-N 3.32Å; D488-S491 WeakPolarHBondContact CA-OG 3.33Å; D488-S491 PolarHBondContact O-OG 3.08Å; D488-S491 VanDerWaalsContact O-OG 3.08Å |
| 489 | K | 93.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 77.8 Ų | 77.8 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.2 | -16.5 | 176 | -64.5 | 166.8 | -155.6 | -178.2 | 0 | 112.8 | F472 E473 P484 A485 H486 N487 V495 A496 M499 | F472-K489 HydrophobicContact CD1-CG 4.26Å; F472-K489 HydrophobicContact CE1-CB 4.47Å; F472-K489 HydrophobicContact CE1-CG 3.88Å; E473-K489 HydrophobicContact CG-CD 4.29Å; E473-K489 VanDerWaalsContact OE1-CE 3.31Å; E473-K489 WeakPolarHBondContact OE1-CE 3.47Å; E473-K489 IonicContact OE1-NZ 3.45Å; E473-K489 PolarHBondContact OE1-NZ 3.04Å; P484-K489 HydrophobicContact CB-CG 4.3Å; P484-K489 WeakPolarHBondContact O-CE 2.92Å; P484-K489 PolarHBondContact O-NZ 3.42Å; A485-K489 WeakPolarHBondContact O-CD 3.24Å; A485-K489 VanDerWaalsContact O-CE 3.24Å; A485-K489 WeakPolarHBondContact O-CE 3.41Å; A485-K489 WeakPolarHBondContact O-CG 3.27Å; H486-K489 PolarHBondContact O-N 3.39Å; N487-K489 PolarHBondContact O-N 3.48Å; K489-V495 HydrophobicContact CB-CG1 3.87Å; K489-V495 HydrophobicContact CG-CG1 4.31Å; K489-V495 CarbonylContact O-C 3.32Å; K489-V495 WeakPolarHBondContact O-CB 3.47Å; K489-V495 VanDerWaalsContact O-CG1 3.29Å; K489-V495 WeakPolarHBondContact O-CG1 3.29Å; K489-A496 PolarHBondContact O-N 3.06Å; K489-M499 HydrophobicContact CB-SD 3.7Å |
| 490 | T | 92.1 | Very high | 94 | Very high | 62 Ų | 62 | 79.5 Ų | 79.5 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -100.3 | -22.1 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | H486 N487 D488 | H486-T490 PolarHBondContact O-N 3.4Å; H486-T490 PolarHBondContact O-OG1 2.75Å; N487-T490 WeakPolarHBondContact CA-OG1 3.39Å; N487-T490 CarbonylContact O-C 3.53Å; N487-T490 WeakPolarHBondContact O-CA 3.42Å; N487-T490 PolarHBondContact O-N 3.08Å; N487-T490 PolarHBondContact O-OG1 3.21Å; D488-T490 VanDerWaalsContact C-N 3.32Å |
| 491 | S | 91.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.6 | -35.5 | 173.2 | 60 | 0 | 0 | 0 | 0 | 111.9 | N487 D488 P493 | N487-S491 PolarHBondContact O-N 3.32Å; N487-S491 PolarHBondContact O-OG 3.2Å; D488-S491 WeakPolarHBondContact CA-OG 3.33Å; D488-S491 PolarHBondContact O-OG 3.08Å; D488-S491 VanDerWaalsContact O-OG 3.08Å; S491-P493 WeakPolarHBondContact O-CD 3.49Å |
| 492 | H | 93.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -75.1 | 117 | 171.3 | -162.7 | -48.2 | 0 | 0 | 0 | 111 | F472 E494 V495 A496 | F472-H492 AromaticContact CD2-CD2 3.86Å; F472-H492 HydrophobicContact CE2-CB 4.08Å; F472-H492 AromaticContact CE2-CD2 3.37Å; F472-H492 WeakPolarHBondContact CE2-CD2 3.41Å; F472-H492 AromaticContact CE2-CG 3.94Å; F472-H492 HydrophobicContact CZ-CB 4.03Å; H492-E494 IonicContact CE1-OE2 2.91Å; H492-E494 PolarHBondContact CE1-OE2 3.27Å; H492-E494 IonicContact ND1-OE2 3.37Å; H492-E494 PolarHBondContact ND1-OE2 3.03Å; H492-E494 PolarHBondContact O-N 2.98Å; H492-V495 HydrophobicContact CB-CB 4.18Å; H492-V495 HydrophobicContact CB-CG2 3.82Å; H492-V495 PolarHBondContact O-N 2.73Å; H492-A496 PolarHBondContact O-N 2.88Å |
| 493 | P | 93.4 | Very high | 94.8 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | -166.5 | 19.6 | -26.4 | 0 | 0 | 0 | 113.8 | S491 A496 K497 | S491-P493 WeakPolarHBondContact O-CD 3.49Å; P493-A496 PolarHBondContact O-N 3.07Å; P493-K497 WeakPolarHBondContact O-CD 3.34Å; P493-K497 WeakPolarHBondContact O-CG 3.48Å; P493-K497 PolarHBondContact O-N 3.35Å |
| 494 | E | 94.1 | Very high | 95 | Very high | 85 Ų | 85 | 67.7 Ų | 67.7 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.2 | -72.9 | 52.1 | -112.2 | 0 | 0 | 111.1 | H492 K497 L498 | H492-E494 IonicContact CE1-OE2 2.91Å; H492-E494 PolarHBondContact CE1-OE2 3.27Å; H492-E494 IonicContact ND1-OE2 3.37Å; H492-E494 PolarHBondContact ND1-OE2 3.03Å; H492-E494 PolarHBondContact O-N 2.98Å; E494-K497 WeakPolarHBondContact O-CB 3.45Å; E494-K497 PolarHBondContact O-N 2.86Å; E494-K497 IonicContact OE1-NZ 3.21Å; E494-K497 PolarHBondContact OE1-NZ 3.47Å; E494-L498 WeakPolarHBondContact O-CG 3.19Å; E494-L498 PolarHBondContact O-N 2.88Å |
| 495 | V | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.4 | -41.9 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | F472 K489 H492 K497 L498 M499 | F472-V495 HydrophobicContact CB-CG2 3.78Å; F472-V495 HydrophobicContact CD1-CB 4.22Å; F472-V495 HydrophobicContact CD1-CG1 3.77Å; F472-V495 HydrophobicContact CD1-CG2 3.52Å; F472-V495 HydrophobicContact CD2-CG2 3.65Å; F472-V495 HydrophobicContact CE1-CG1 4.2Å; F472-V495 HydrophobicContact CE1-CG2 3.96Å; F472-V495 HydrophobicContact CE2-CG2 4.11Å; F472-V495 HydrophobicContact CG-CB 4.46Å; F472-V495 HydrophobicContact CG-CG1 4.34Å; F472-V495 HydrophobicContact CG-CG2 3.32Å; F472-V495 HydrophobicContact CZ-CG2 4.23Å; K489-V495 HydrophobicContact CB-CG1 3.87Å; K489-V495 HydrophobicContact CG-CG1 4.31Å; K489-V495 CarbonylContact O-C 3.32Å; K489-V495 WeakPolarHBondContact O-CB 3.47Å; K489-V495 VanDerWaalsContact O-CG1 3.29Å; K489-V495 WeakPolarHBondContact O-CG1 3.29Å; H492-V495 HydrophobicContact CB-CB 4.18Å; H492-V495 HydrophobicContact CB-CG2 3.82Å; H492-V495 PolarHBondContact O-N 2.73Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.88Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-M499 HydrophobicContact CG1-SD 4.38Å; V495-M499 WeakPolarHBondContact O-CB 3.12Å; V495-M499 WeakPolarHBondContact O-CG 3.38Å; V495-M499 PolarHBondContact O-N 3.25Å |
| 496 | A | 96.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K489 H492 P493 K500 | K489-A496 PolarHBondContact O-N 3.06Å; H492-A496 PolarHBondContact O-N 2.88Å; P493-A496 PolarHBondContact O-N 3.07Å; A496-K500 VanDerWaalsContact O-CG 3.27Å; A496-K500 WeakPolarHBondContact O-CG 3.38Å; A496-K500 PolarHBondContact O-N 2.83Å; A496-K500 VanDerWaalsContact O-N 3.12Å |
| 497 | K | 97.5 | Very high | 95.5 | Very high | 123 Ų | 123 | 70.8 Ų | 70.8 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -51 | 172.5 | -69.3 | 160.3 | -162.4 | 163.7 | 0 | 110.7 | P493 E494 V495 M499 K500 E501 | P493-K497 WeakPolarHBondContact O-CD 3.34Å; P493-K497 WeakPolarHBondContact O-CG 3.48Å; P493-K497 PolarHBondContact O-N 3.35Å; E494-K497 WeakPolarHBondContact O-CB 3.45Å; E494-K497 PolarHBondContact O-N 2.86Å; E494-K497 IonicContact OE1-NZ 3.21Å; E494-K497 PolarHBondContact OE1-NZ 3.47Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.88Å; K497-M499 VanDerWaalsContact C-N 3.32Å; K497-M499 PolarHBondContact O-N 2.88Å; K497-K500 PolarHBondContact O-N 2.96Å; K497-E501 WeakPolarHBondContact O-CB 3.45Å; K497-E501 PolarHBondContact O-N 3.41Å |
| 498 | L | 97.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 179.7 | -69.1 | 166.4 | 0 | 0 | 0 | 112.8 | L465 K468 I469 E494 V495 L502 | L465-L498 HydrophobicContact CD2-CD2 3.46Å; L465-L498 VanDerWaalsContact CD2-CD2 3.46Å; K468-L498 HydrophobicContact CB-CD1 3.71Å; K468-L498 HydrophobicContact CB-CD2 4.18Å; K468-L498 HydrophobicContact CD-CD1 4.28Å; K468-L498 HydrophobicContact CD-CD2 3.67Å; I469-L498 HydrophobicContact CD1-CB 4.19Å; I469-L498 HydrophobicContact CG1-CB 3.85Å; I469-L498 HydrophobicContact CG1-CD1 4.48Å; E494-L498 WeakPolarHBondContact O-CG 3.19Å; E494-L498 PolarHBondContact O-N 2.88Å; V495-L498 PolarHBondContact O-N 3.33Å; L498-L502 VanDerWaalsContact O-CB 3.24Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 PolarHBondContact O-N 3.28Å |
| 499 | M | 97.4 | Very high | 95.6 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.1 | -74.4 | 179.4 | 67.4 | 0 | 0 | 111.9 | I469 K489 V495 K497 E501 L502 I503 | I469-M499 HydrophobicContact CD1-CG 3.91Å; I469-M499 HydrophobicContact CG1-CG 4.44Å; K489-M499 HydrophobicContact CB-SD 3.7Å; V495-M499 HydrophobicContact CG1-SD 4.38Å; V495-M499 WeakPolarHBondContact O-CB 3.12Å; V495-M499 WeakPolarHBondContact O-CG 3.38Å; V495-M499 PolarHBondContact O-N 3.25Å; K497-M499 VanDerWaalsContact C-N 3.32Å; K497-M499 PolarHBondContact O-N 2.88Å; M499-E501 VanDerWaalsContact C-N 3.35Å; M499-L502 PolarHBondContact O-N 2.76Å; M499-I503 WeakPolarHBondContact O-CG1 3.45Å; M499-I503 PolarHBondContact O-N 2.93Å; M499-I503 VanDerWaalsContact O-N 3.08Å |
| 500 | K | 97.4 | Very high | 95.7 | Very high | 146 Ų | 146 | 75.5 Ų | 75.5 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 175 | -71.8 | 169.2 | -177.5 | 177.1 | 0 | 111.3 | A496 K497 I503 R504 | A496-K500 VanDerWaalsContact O-CG 3.27Å; A496-K500 WeakPolarHBondContact O-CG 3.38Å; A496-K500 PolarHBondContact O-N 2.83Å; A496-K500 VanDerWaalsContact O-N 3.12Å; K497-K500 PolarHBondContact O-N 2.96Å; K500-I503 PolarHBondContact O-N 3.15Å; K500-R504 WeakPolarHBondContact O-CG 3.28Å; K500-R504 PolarHBondContact O-N 2.9Å |
| 501 | E | 97.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 78.3 Ų | 78.3 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.4 | -159.2 | 175.9 | -163.2 | 0 | 0 | 111.4 | H461 L465 K497 M499 I503 R504 S505 | H461-E501 IonicContact CE1-OE1 3.33Å; H461-E501 PolarHBondContact CE1-OE1 2.78Å; H461-E501 IonicContact NE2-OE1 3.56Å; L465-E501 HydrophobicContact CD1-CB 4Å; L465-E501 HydrophobicContact CD1-CG 3.94Å; L465-E501 HydrophobicContact CD2-CB 4.39Å; L465-E501 HydrophobicContact CD2-CG 4.33Å; L465-E501 WeakPolarHBondContact CD2-OE2 3.45Å; K497-E501 WeakPolarHBondContact O-CB 3.45Å; K497-E501 PolarHBondContact O-N 3.41Å; M499-E501 VanDerWaalsContact C-N 3.35Å; E501-I503 PolarHBondContact O-N 3.32Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.49Å; E501-S505 PolarHBondContact O-N 3.1Å; E501-S505 PolarHBondContact O-OG 2.95Å; E501-S505 VanDerWaalsContact O-OG 3.05Å |
| 502 | L | 97.3 | Very high | 95.5 | Very high | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -34.6 | 177.8 | 176 | 61.8 | 0 | 0 | 0 | 112.3 | I462 L465 R466 I469 L498 M499 R506 | I462-L502 HydrophobicContact CB-CD1 4.38Å; I462-L502 HydrophobicContact CG1-CD1 4.38Å; I462-L502 HydrophobicContact CG2-CD1 3.86Å; L465-L502 HydrophobicContact CB-CB 4.26Å; L465-L502 HydrophobicContact CB-CD1 4.28Å; L465-L502 VanDerWaalsContact CD1-CA 3.48Å; L465-L502 HydrophobicContact CD1-CB 3.91Å; L465-L502 HydrophobicContact CD1-CD1 4.47Å; R466-L502 HydrophobicContact CG-CD1 4.03Å; R466-L502 HydrophobicContact CG-CD2 4.06Å; I469-L502 HydrophobicContact CD1-CB 4.48Å; I469-L502 HydrophobicContact CD1-CD2 3.79Å; L498-L502 VanDerWaalsContact O-CB 3.24Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 PolarHBondContact O-N 3.28Å; M499-L502 PolarHBondContact O-N 2.76Å; L502-R506 HydrophobicContact CD1-CG 4.34Å; L502-R506 VanDerWaalsContact O-CB 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.44Å; L502-R506 WeakPolarHBondContact O-CD 3.24Å; L502-R506 WeakPolarHBondContact O-CG 3.36Å; L502-R506 PolarHBondContact O-N 3.36Å; L502-R506 VanDerWaalsContact O-N 3.12Å |
| 503 | I | 97.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 77.9 Ų | 77.9 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.7 | -46 | 173.5 | -67.2 | 163.8 | 0 | 0 | 0 | 110.8 | M499 K500 E501 R506 K507 | M499-I503 WeakPolarHBondContact O-CG1 3.45Å; M499-I503 PolarHBondContact O-N 2.93Å; M499-I503 VanDerWaalsContact O-N 3.08Å; K500-I503 PolarHBondContact O-N 3.15Å; E501-I503 PolarHBondContact O-N 3.32Å; I503-R506 PolarHBondContact O-N 2.76Å; I503-K507 PolarHBondContact O-N 3.43Å |
| 504 | R | 97.1 | Very high | 94.9 | Very high | 159 Ų | 159 | 78.2 Ų | 78.2 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.8 | -51.7 | 176.5 | -70.1 | -171.6 | -60.7 | 167 | 4.4 | 111.6 | K500 E501 R506 K507 Q508 | K500-R504 WeakPolarHBondContact O-CG 3.28Å; K500-R504 PolarHBondContact O-N 2.9Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.49Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.23Å; R504-K507 WeakPolarHBondContact O-CA 3.36Å; R504-K507 WeakPolarHBondContact O-CB 3.3Å; R504-K507 PolarHBondContact O-N 3Å; R504-Q508 PolarHBondContact O-N 3.01Å |
| 505 | S | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 179.7 | -47 | 0 | 0 | 0 | 0 | 112.4 | H461 E501 K507 L509 | H461-S505 PolarHBondContact CD2-OG 3.27Å; H461-S505 PolarHBondContact NE2-OG 2.7Å; E501-S505 PolarHBondContact O-N 3.1Å; E501-S505 PolarHBondContact O-OG 2.95Å; E501-S505 VanDerWaalsContact O-OG 3.05Å; S505-K507 VanDerWaalsContact C-N 3.33Å; S505-L509 VanDerWaalsContact O-CB 3.28Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 2.79Å |
| 506 | R | 96.2 | Very high | 92.9 | Very high | 110 Ų | 110 | 82 Ų | 82 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -28.9 | 173.2 | -81.7 | 170.2 | 161.1 | 167.8 | -8.9 | 113.4 | I462 L502 I503 R504 K510 | I462-R506 HydrophobicContact CD1-CG 4.2Å; L502-R506 HydrophobicContact CD1-CG 4.34Å; L502-R506 VanDerWaalsContact O-CB 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.44Å; L502-R506 WeakPolarHBondContact O-CD 3.24Å; L502-R506 WeakPolarHBondContact O-CG 3.36Å; L502-R506 PolarHBondContact O-N 3.36Å; L502-R506 VanDerWaalsContact O-N 3.12Å; I503-R506 PolarHBondContact O-N 2.76Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.23Å; R506-K510 WeakPolarHBondContact O-CG 3.18Å; R506-K510 PolarHBondContact O-N 2.96Å |
| 507 | K | 95.9 | Very high | 91.6 | Very high | 146 Ų | 146 | 86 Ų | 86 | 64% | 0.635 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71.7 | -54.6 | 171.9 | -73.6 | -174.8 | 174.8 | -168.8 | 0 | 110.3 | I503 R504 S505 L509 K510 E511 | I503-K507 PolarHBondContact O-N 3.43Å; R504-K507 WeakPolarHBondContact O-CA 3.36Å; R504-K507 WeakPolarHBondContact O-CB 3.3Å; R504-K507 PolarHBondContact O-N 3Å; S505-K507 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 3.08Å; K507-L509 VanDerWaalsContact O-N 3.14Å; K507-K510 WeakPolarHBondContact O-CA 3.44Å; K507-K510 WeakPolarHBondContact O-CB 3.35Å; K507-K510 PolarHBondContact O-N 3.39Å; K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 PolarHBondContact O-N 3.29Å |
| 508 | Q | 95.2 | Very high | 89.5 | Confident | 86 Ų | 86 | 86.2 Ų | 86.2 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -53.4 | -36.4 | 176.2 | -69.6 | 171.9 | -49.7 | 0 | 0 | 112.3 | L458 R504 K510 E511 I512 | L458-Q508 HydrophobicContact CD2-CB 3.63Å; R504-Q508 PolarHBondContact O-N 3.01Å; Q508-K510 PolarHBondContact O-N 2.94Å; Q508-E511 PolarHBondContact O-N 3.32Å; Q508-I512 VanDerWaalsContact O-CG1 3.32Å; Q508-I512 WeakPolarHBondContact O-CG1 3.46Å; Q508-I512 PolarHBondContact O-N 3.02Å |
| 509 | L | 94.3 | Very high | 87.2 | Confident | 23 Ų | 23 | 91.5 Ų | 91.5 | 12% | 0.12 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.6 | -29.1 | 177.3 | -179.7 | 61.9 | 0 | 0 | 0 | 113.3 | V455 L458 N459 I462 S505 K507 K513 | V455-L509 HydrophobicContact CG1-CD1 3.84Å; L458-L509 HydrophobicContact CD2-CB 3.8Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å; L458-L509 VanDerWaalsContact CD2-N 3.34Å; L458-L509 HydrophobicContact CG-CB 4.21Å; N459-L509 WeakPolarHBondContact ND2-CD1 3.37Å; N459-L509 VanDerWaalsContact OD1-CD2 3.31Å; N459-L509 WeakPolarHBondContact OD1-CD2 3.19Å; I462-L509 HydrophobicContact CD1-CB 4.03Å; I462-L509 HydrophobicContact CD1-CD2 3.56Å; I462-L509 HydrophobicContact CD1-CG 4.41Å; S505-L509 VanDerWaalsContact O-CB 3.28Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 2.79Å; K507-L509 PolarHBondContact O-N 3.08Å; K507-L509 VanDerWaalsContact O-N 3.14Å; L509-K513 HydrophobicContact CD1-CD 4.32Å; L509-K513 HydrophobicContact CD1-CG 4.4Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.34Å; L509-K513 WeakPolarHBondContact O-CG 3.43Å; L509-K513 PolarHBondContact O-N 3.49Å |
| 510 | K | 93.9 | Very high | 84.6 | Confident | 164 Ų | 164 | 94.5 Ų | 94.5 | 71% | 0.713 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.3 | -38.3 | 173.3 | -73.2 | 179.5 | 173.9 | -167.9 | 0 | 111.3 | R506 K507 Q508 L514 | R506-K510 WeakPolarHBondContact O-CG 3.18Å; R506-K510 PolarHBondContact O-N 2.96Å; K507-K510 WeakPolarHBondContact O-CA 3.44Å; K507-K510 WeakPolarHBondContact O-CB 3.35Å; K507-K510 PolarHBondContact O-N 3.39Å; Q508-K510 PolarHBondContact O-N 2.94Å; K510-L514 WeakPolarHBondContact O-CB 3.42Å; K510-L514 PolarHBondContact O-N 3.06Å |
| 511 | E | 92.6 | Very high | 82.3 | Confident | 120 Ų | 120 | 90.3 Ų | 90.3 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -57.6 | 178 | -175.8 | 171.2 | -156.6 | 0 | 0 | 111.2 | K507 Q508 K513 L514 T515 | K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 PolarHBondContact O-N 3.29Å; Q508-E511 PolarHBondContact O-N 3.32Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 2.92Å; E511-L514 WeakPolarHBondContact O-CA 3.48Å; E511-L514 WeakPolarHBondContact O-CB 3.43Å; E511-L514 PolarHBondContact O-N 3.15Å; E511-T515 PolarHBondContact O-N 3.42Å |
| 512 | I | 88.3 | Confident | 79.8 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 18% | 0.179 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.1 | -30 | 179.3 | -59.1 | 168.3 | 0 | 0 | 0 | 111.9 | V453 V455 L458 Q508 L514 T515 Q516 | V453-I512 VanDerWaalsContact O-CD1 3.3Å; V453-I512 WeakPolarHBondContact O-CD1 3.09Å; V455-I512 HydrophobicContact CG2-CB 4.26Å; V455-I512 HydrophobicContact CG2-CG2 3.54Å; L458-I512 HydrophobicContact CD2-CD1 4.24Å; Q508-I512 VanDerWaalsContact O-CG1 3.32Å; Q508-I512 WeakPolarHBondContact O-CG1 3.46Å; Q508-I512 PolarHBondContact O-N 3.02Å; I512-L514 VanDerWaalsContact C-N 3.33Å; I512-T515 PolarHBondContact O-OG1 2.97Å; I512-Q516 HydrophobicContact CG2-CG 4.47Å; I512-Q516 VanDerWaalsContact O-CB 3.31Å; I512-Q516 WeakPolarHBondContact O-CB 3.45Å; I512-Q516 WeakPolarHBondContact O-CG 3.48Å; I512-Q516 PolarHBondContact O-N 3.38Å |
| 513 | K | 88.6 | Confident | 77 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.5 | -23.1 | 172.3 | -80.3 | -172.7 | 169.8 | -159 | 0 | 113.8 | L509 E511 S517 | L509-K513 HydrophobicContact CD1-CD 4.32Å; L509-K513 HydrophobicContact CD1-CG 4.4Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.34Å; L509-K513 WeakPolarHBondContact O-CG 3.43Å; L509-K513 PolarHBondContact O-N 3.49Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 2.92Å; K513-S517 PolarHBondContact O-N 3.31Å |
| 514 | L | 84.9 | Confident | 74.1 | Confident | 75 Ų | 75 | 102.2 Ų | 102.2 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.5 | -48.4 | 175.4 | -173.4 | 145.2 | 0 | 0 | 0 | 109.5 | K510 E511 I512 Q516 S517 E518 | K510-L514 WeakPolarHBondContact O-CB 3.42Å; K510-L514 PolarHBondContact O-N 3.06Å; E511-L514 WeakPolarHBondContact O-CA 3.48Å; E511-L514 WeakPolarHBondContact O-CB 3.43Å; E511-L514 PolarHBondContact O-N 3.15Å; I512-L514 VanDerWaalsContact C-N 3.33Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.22Å; L514-S517 WeakPolarHBondContact O-CA 3.45Å; L514-S517 WeakPolarHBondContact O-CB 3.35Å; L514-S517 PolarHBondContact O-N 3.12Å; L514-E518 PolarHBondContact O-N 3.13Å |
| 515 | T | 77.2 | Confident | 71.2 | Confident | 66 Ų | 66 | 103.5 Ų | 103.5 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 176.4 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | E511 I512 S517 E518 E519 | E511-T515 PolarHBondContact O-N 3.42Å; I512-T515 PolarHBondContact O-OG1 2.97Å; T515-S517 PolarHBondContact O-N 3.24Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 2.96Å; T515-E519 WeakPolarHBondContact O-CB 2.98Å; T515-E519 PolarHBondContact O-N 3.23Å |
| 516 | Q | 73.1 | Confident | 68 | Low | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -26.8 | 172.8 | -76.6 | 179.5 | -5.8 | 0 | 0 | 114 | I512 L514 E518 S520 | I512-Q516 HydrophobicContact CG2-CG 4.47Å; I512-Q516 VanDerWaalsContact O-CB 3.31Å; I512-Q516 WeakPolarHBondContact O-CB 3.45Å; I512-Q516 WeakPolarHBondContact O-CG 3.48Å; I512-Q516 PolarHBondContact O-N 3.38Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.22Å; Q516-E518 VanDerWaalsContact C-N 3.3Å; Q516-S520 WeakPolarHBondContact O-CB 3.3Å |
| 517 | S | 68.6 | Low | 64.8 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 70% | 0.699 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.1 | -14 | 174.7 | -170.3 | 0 | 0 | 0 | 0 | 113 | K513 L514 T515 | K513-S517 PolarHBondContact O-N 3.31Å; L514-S517 WeakPolarHBondContact O-CA 3.45Å; L514-S517 WeakPolarHBondContact O-CB 3.35Å; L514-S517 PolarHBondContact O-N 3.12Å; T515-S517 PolarHBondContact O-N 3.24Å |
| 518 | E | 53.4 | Low | 61.5 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.593 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -102.9 | -47.3 | -174.3 | -169.4 | 165.6 | -161.7 | 0 | 0 | 110.1 | L514 T515 Q516 S520 G521 | L514-E518 PolarHBondContact O-N 3.13Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 2.96Å; Q516-E518 VanDerWaalsContact C-N 3.3Å; E518-S520 VanDerWaalsContact C-N 3.26Å; E518-S520 PolarHBondContact O-N 3.19Å; E518-G521 PolarHBondContact O-N 3.42Å |
| 519 | E | 49 | Very low | 58.4 | Low | 134 Ų | 134 | 107.7 Ų | 107.7 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.3 | -35.8 | 173.2 | -167.9 | -170.4 | 164.3 | 0 | 0 | 112.2 | T515 G521 L522 | T515-E519 WeakPolarHBondContact O-CB 2.98Å; T515-E519 PolarHBondContact O-N 3.23Å; E519-G521 PolarHBondContact O-N 2.97Å; E519-L522 PolarHBondContact O-N 3.01Å; E519-L522 VanDerWaalsContact O-N 3.09Å |
| 520 | S | 44.1 | Very low | 56 | Low | 104 Ų | 104 | 112.9 Ų | 112.9 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -10.6 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 114.2 | Q516 E518 | Q516-S520 WeakPolarHBondContact O-CB 3.3Å; E518-S520 VanDerWaalsContact C-N 3.26Å; E518-S520 PolarHBondContact O-N 3.19Å |
| 521 | G | 47.6 | Very low | 52.9 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -18.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E518 E519 | E518-G521 PolarHBondContact O-N 3.42Å; E519-G521 PolarHBondContact O-N 2.97Å |
| 522 | L | 45 | Very low | 49.9 | Very low | 149 Ų | 149 | 108.2 Ų | 108.2 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 15 | -164.1 | -76.9 | 167 | 0 | 0 | 0 | 115.7 | E519 | E519-L522 PolarHBondContact O-N 3.01Å; E519-L522 VanDerWaalsContact O-N 3.09Å |
| 523 | K | 39.9 | Very low | 47.2 | Very low | 203 Ų | 203 | 116 Ų | 116 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 12 | 173.6 | -80.6 | -178.9 | 175.8 | 168 | 0 | 115 | ||
| 524 | G | 34.4 | Very low | 44.5 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -102.4 | 117.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 525 | L | 37.6 | Very low | 41.6 | Very low | 186 Ų | 186 | 118.7 Ų | 118.7 | 97% | 0.974 | 74% | 0.741 | S | S | * | * | trans | -102.8 | 111.9 | -172.6 | -147.3 | 168.4 | 0 | 0 | 0 | 111.2 | ||||
| 526 | G | 28.6 | Very low | 39.5 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 109.1 | 116.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 527 | G | 28.1 | Very low | 37.2 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 140.2 | 83.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 528 | F | 27.9 | Very low | 35.2 | Very low | 214 Ų | 214 | 128.3 Ų | 128.3 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -5 | 128.3 | 165.4 | -60.1 | -91.6 | 0 | 0 | 0 | 120.2 | ||||
| 529 | G | 30.2 | Very low | 34 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -96.3 | -141 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 530 | P | 42.6 | Very low | 32.9 | Very low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -139.1 | 160.3 | -8.8 | 41.1 | -24.5 | 0 | 0 | 0 | 116 | ||||
| 531 | S | 28.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -171.3 | 140 | 143.6 | -156.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 532 | G | 29.8 | Very low | 31.4 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 99.5 | 110.6 | 25.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 533 | E | 31.9 | Very low | 30.5 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | cis | -151.1 | 173.1 | 2.1 | -147.5 | 179.3 | 169.3 | 0 | 0 | 111.8 | ||||
| 534 | T | 32.5 | Very low | 30 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -91.4 | 139.7 | -177.6 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | R536 | T534-R536 HydrophobicContact CG2-CG 4.1Š| ||
| 535 | C | 23.9 | Very low | 29.6 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -124.3 | 113.9 | 159.1 | -93.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 536 | R | 32.6 | Very low | 29.7 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -110.2 | 113.3 | 169.1 | -76.1 | -172.7 | 178.8 | -158.5 | 6.8 | 111 | T534 | T534-R536 HydrophobicContact CG2-CG 4.1Š| ||
| 537 | T | 24.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -147.4 | 113.5 | 151.6 | 33.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 538 | N | 25.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | 78.7 | 113.3 | 67.9 | -75.6 | -32.8 | 0 | 0 | 0 | 113.7 | |||||
| 539 | A | 28.7 | Very low | 30 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 56.2 | 125.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 540 | E | 26 | Very low | 30.3 | Very low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | 148.7 | 125.9 | 97.9 | -170.5 | 60.9 | -163 | 0 | 0 | 112 | |||||
| 541 | Q | 30.6 | Very low | 30 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 54.8 | 131.9 | 167.2 | -67.2 | 163.6 | 41.6 | 0 | 0 | 117 | ||||
| 542 | R | 29.3 | Very low | 30.3 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | cis | -150.9 | 148 | 44.9 | -62.8 | -179 | -178.6 | -157.7 | 1.7 | 110.8 | ||||
| 543 | E | 26.6 | Very low | 30.6 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -112 | 136.6 | 152.3 | -166.1 | 161 | -136.5 | 0 | 0 | 107 | ||||
| 544 | A | 28.8 | Very low | 30.5 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -108.6 | 166.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 545 | V | 27.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | -38.5 | 123.9 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 546 | P | 38.7 | Very low | 31.1 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -87.4 | 115.7 | 178.8 | 32.6 | -31.9 | 0 | 0 | 0 | 111.8 | ||||
| 547 | T | 27.6 | Very low | 31.4 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -134.8 | 110 | 165.9 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 548 | G | 30.2 | Very low | 32.2 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 75.7 | 52.7 | 131 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 549 | T | 33.7 | Very low | 32.5 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -151.4 | 121.7 | 133.4 | -35.8 | 0 | 0 | 0 | 0 | 109.4 | L551 | T549-L551 PolarHBondContact O-N 2.86Š| ||
| 550 | E | 35.5 | Very low | 33.3 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 131.2 | 178.3 | -78.6 | -151.8 | 118.7 | 0 | 0 | 111.6 | R552 | E550-R552 IonicContact OE2-NE 3.31Š| ||
| 551 | L | 36.9 | Very low | 34 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 63% | 0.634 | 76% | 0.763 | S | S | * | * | trans | -121.9 | 112.6 | 138.7 | -74.2 | -179.1 | 0 | 0 | 0 | 106.9 | T549 | T549-L551 PolarHBondContact O-N 2.86Š| ||
| 552 | R | 34.2 | Very low | 35.1 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | -61.2 | 129 | 176.6 | -72.6 | -177.6 | 173.9 | -171 | -2.4 | 109.9 | E550 I554 | E550-R552 IonicContact OE2-NE 3.31Å; R552-I554 VanDerWaalsContact C-N 3.32Å; R552-I554 PolarHBondContact O-N 3.29Å | ||
| 553 | P | 37.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -71.5 | 92.9 | 164.6 | 29.7 | -31.6 | 0 | 0 | 0 | 108.2 | N555 | P553-N555 PolarHBondContact O-N 2.63Å; P553-N555 VanDerWaalsContact O-N 3.14Å | ||
| 554 | I | 30.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 119.9 Ų | 119.9 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -62.1 | 118.5 | 173.3 | -64.9 | 179.9 | 0 | 0 | 0 | 107.9 | R552 N556 | R552-I554 VanDerWaalsContact C-N 3.32Å; R552-I554 PolarHBondContact O-N 3.29Å; I554-N556 PolarHBondContact O-N 3.33Å | ||
| 555 | N | 37.1 | Very low | 43 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | trans | -60.6 | 122.1 | 173.7 | 161.5 | 78.9 | 0 | 0 | 0 | 110.2 | P553 | P553-N555 PolarHBondContact O-N 2.63Å; P553-N555 VanDerWaalsContact O-N 3.14Å | ||
| 556 | N | 31.1 | Very low | 46 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | -147.4 | 143.3 | 140.8 | -96.8 | -30.7 | 0 | 0 | 0 | 110 | I554 | I554-N556 PolarHBondContact O-N 3.33Š| ||
| 557 | N | 39.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 113.4 Ų | 113.4 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | trans | -122.6 | 139 | -176.4 | -153.5 | -0.5 | 0 | 0 | 0 | 106.9 | ||||
| 558 | S | 41.2 | Very low | 51.7 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | trans | 67.9 | 139.3 | -152.7 | 95.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 559 | N | 33.2 | Very low | 54.7 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | cis | -114.6 | 175.4 | 12.7 | -57.3 | -40.6 | 0 | 0 | 0 | 112.7 | ||||
| 560 | A | 43.9 | Very low | 57.7 | Low | 90 Ų | 90 | 106 Ų | 106 | 74% | 0.744 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -66.2 | 153.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 561 | T | 41 | Very low | 60.5 | Low | 138 Ų | 138 | 99.1 Ų | 99.1 | 85% | 0.847 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 52.1 | 88.3 | -168.8 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 562 | Q | 53.2 | Low | 63.3 | Low | 127 Ų | 127 | 95.7 Ų | 95.7 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | trans | -58.3 | 134.8 | 155.1 | -70.9 | 176.3 | -27.1 | 0 | 0 | 108.3 | L564 | Q562-L564 PolarHBondContact O-N 3.19Š| ||
| 563 | N | 75.6 | Confident | 66.1 | Low | 70 Ų | 70 | 90.4 Ų | 90.4 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | trans | -66.2 | 125.3 | -173.8 | -172.6 | -6.3 | 0 | 0 | 0 | 110.6 | E565 E566 T567 | N563-E565 VanDerWaalsContact C-N 3.29Å; N563-E565 PolarHBondContact O-N 3.16Å; N563-E565 WeakPolarHBondContact OD1-CB 3.33Å; N563-E565 PolarHBondContact OD1-N 3.2Å; N563-E566 HydrophobicContact CB-CB 4.02Å; N563-E566 HydrophobicContact CB-CG 3.85Å; N563-E566 WeakPolarHBondContact CB-OE1 3.39Å; N563-E566 PolarHBondContact ND2-OE1 2.9Å; N563-E566 PolarHBondContact O-N 2.99Å; N563-T567 PolarHBondContact O-N 3.21Å; N563-T567 PolarHBondContact O-OG1 3.07Å; N563-T567 VanDerWaalsContact O-OG1 3.04Å | ||
| 564 | L | 87 | Confident | 68.8 | Low | 20 Ų | 20 | 87.6 Ų | 87.6 | 11% | 0.105 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.9 | 178 | 60.7 | 0 | 0 | 0 | 110.9 | Q562 T567 V568 F610 Q621 Q622 L625 | Q562-L564 PolarHBondContact O-N 3.19Å; L564-T567 PolarHBondContact O-N 2.83Å; L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.42Å; L564-F610 HydrophobicContact CD1-CE2 3.65Å; L564-F610 HydrophobicContact CD1-CZ 3.62Å; L564-Q621 HydrophobicContact CD2-CB 4.3Å; L564-Q621 HydrophobicContact CD2-CG 3.86Å; L564-Q622 HydrophobicContact CD1-CG 3.79Å; L564-Q622 HydrophobicContact CD2-CB 4.37Å; L564-Q622 HydrophobicContact CD2-CG 3.65Å; L564-Q622 HydrophobicContact CG-CG 4.39Å; L564-L625 HydrophobicContact CD2-CD1 3.76Å; L564-L625 HydrophobicContact CG-CD1 3.81Å |
| 565 | E | 88.7 | Confident | 71.8 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | -179 | -140.3 | 67.1 | -141.1 | 0 | 0 | 111.3 | N563 T567 V568 N569 L625 | N563-E565 VanDerWaalsContact C-N 3.29Å; N563-E565 PolarHBondContact O-N 3.16Å; N563-E565 WeakPolarHBondContact OD1-CB 3.33Å; N563-E565 PolarHBondContact OD1-N 3.2Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 3.23Å; E565-V568 WeakPolarHBondContact O-CB 3.23Å; E565-V568 PolarHBondContact O-N 3.18Å; E565-N569 WeakPolarHBondContact O-CB 3.32Å; E565-N569 VanDerWaalsContact O-CG 3.23Å; E565-N569 PolarHBondContact O-N 2.95Å; E565-N569 PolarHBondContact O-ND2 2.9Å; E565-N569 VanDerWaalsContact O-ND2 3.14Å; E565-L625 WeakPolarHBondContact OE1-CD2 3.44Å; E565-L625 WeakPolarHBondContact OE2-CD1 3.28Å |
| 566 | E | 90.5 | Very high | 74.5 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 176.6 | -71.9 | 161 | -141.6 | 0 | 0 | 111.7 | N563 N569 L570 | N563-E566 HydrophobicContact CB-CB 4.02Å; N563-E566 HydrophobicContact CB-CG 3.85Å; N563-E566 WeakPolarHBondContact CB-OE1 3.39Å; N563-E566 PolarHBondContact ND2-OE1 2.9Å; N563-E566 PolarHBondContact O-N 2.99Å; E566-N569 PolarHBondContact O-N 2.85Å; E566-L570 WeakPolarHBondContact O-CB 3.33Å; E566-L570 PolarHBondContact O-N 2.72Å |
| 567 | T | 91.9 | Very high | 77.4 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 177.2 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | N563 L564 E565 I571 F610 L613 H614 | N563-T567 PolarHBondContact O-N 3.21Å; N563-T567 PolarHBondContact O-OG1 3.07Å; N563-T567 VanDerWaalsContact O-OG1 3.04Å; L564-T567 PolarHBondContact O-N 2.83Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 3.23Å; T567-I571 HydrophobicContact CG2-CD1 4.3Å; T567-I571 WeakPolarHBondContact O-CG1 3.19Å; T567-I571 PolarHBondContact O-N 2.77Å; T567-F610 HydrophobicContact CG2-CD2 4.25Å; T567-L613 HydrophobicContact CG2-CD1 4.02Å; T567-H614 WeakPolarHBondContact CB-NE2 2.96Å; T567-H614 PolarHBondContact OG1-NE2 2.74Å |
| 568 | V | 94.4 | Very high | 80 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L564 E565 I571 T572 L625 M626 F629 | L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.42Å; E565-V568 WeakPolarHBondContact O-CB 3.23Å; E565-V568 PolarHBondContact O-N 3.18Å; V568-I571 PolarHBondContact O-N 2.87Å; V568-T572 WeakPolarHBondContact O-CB 3.35Å; V568-T572 PolarHBondContact O-N 2.68Å; V568-T572 PolarHBondContact O-OG1 2.73Å; V568-L625 HydrophobicContact CG1-CB 4.45Å; V568-L625 HydrophobicContact CG2-CB 3.8Å; V568-L625 HydrophobicContact CG2-CD1 4.29Å; V568-M626 HydrophobicContact CB-CE 4.39Å; V568-M626 HydrophobicContact CG1-CE 4.49Å; V568-M626 HydrophobicContact CG2-CE 3.65Å; V568-F629 HydrophobicContact CG1-CE2 4.02Å; V568-F629 HydrophobicContact CG1-CZ 4.25Å |
| 569 | N | 93.6 | Very high | 82.4 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178.4 | -72 | -31.4 | 0 | 0 | 0 | 112.3 | E565 E566 T572 N573 | E565-N569 WeakPolarHBondContact O-CB 3.32Å; E565-N569 VanDerWaalsContact O-CG 3.23Å; E565-N569 PolarHBondContact O-N 2.95Å; E565-N569 PolarHBondContact O-ND2 2.9Å; E565-N569 VanDerWaalsContact O-ND2 3.14Å; E566-N569 PolarHBondContact O-N 2.85Å; N569-T572 PolarHBondContact O-N 3.16Å; N569-N573 WeakPolarHBondContact O-CB 3.31Å; N569-N573 PolarHBondContact O-N 3.23Å; N569-N573 PolarHBondContact O-ND2 3.38Å |
| 570 | L | 95.1 | Very high | 85.1 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 45% | 0.45 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 172.2 | 177.2 | 60.1 | 0 | 0 | 0 | 111.7 | E566 T572 R574 Y609 | E566-L570 WeakPolarHBondContact O-CB 3.33Å; E566-L570 PolarHBondContact O-N 2.72Å; L570-T572 VanDerWaalsContact C-N 3.35Å; L570-R574 VanDerWaalsContact O-CB 3.24Å; L570-R574 WeakPolarHBondContact O-CB 3.26Å; L570-R574 PolarHBondContact O-N 3.23Å; L570-Y609 HydrophobicContact CD2-CE1 4.07Å; L570-Y609 WeakPolarHBondContact CD2-OH 3.22Å |
| 571 | I | 95.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.4 | -73.8 | 164.7 | 0 | 0 | 0 | 111.3 | T567 V568 R574 L575 C606 Y609 F610 M626 F629 | T567-I571 HydrophobicContact CG2-CD1 4.3Å; T567-I571 WeakPolarHBondContact O-CG1 3.19Å; T567-I571 PolarHBondContact O-N 2.77Å; V568-I571 PolarHBondContact O-N 2.87Å; I571-R574 PolarHBondContact O-N 3.05Å; I571-L575 HydrophobicContact CG2-CD1 3.82Å; I571-L575 WeakPolarHBondContact O-CB 3.29Å; I571-L575 WeakPolarHBondContact O-CG 3.42Å; I571-L575 PolarHBondContact O-N 3.35Å; I571-C606 HydrophobicContact CG1-CB 4.5Å; I571-C606 HydrophobicContact CG2-CB 3.83Å; I571-Y609 HydrophobicContact CD1-CD1 4.22Å; I571-Y609 HydrophobicContact CG1-CD1 4.05Å; I571-Y609 HydrophobicContact CG1-CE1 4.48Å; I571-F610 HydrophobicContact CD1-CB 3.82Å; I571-F610 HydrophobicContact CD1-CD2 4.01Å; I571-F610 HydrophobicContact CD1-CG 4.41Å; I571-M626 HydrophobicContact CD1-CE 4.32Å; I571-F629 HydrophobicContact CG2-CD1 3.97Å; I571-F629 HydrophobicContact CG2-CE1 3.68Å; I571-F629 HydrophobicContact CG2-CZ 4.13Å |
| 572 | T | 94.9 | Very high | 89.6 | Confident | 49 Ų | 49 | 68 Ų | 68 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | V568 N569 L570 L575 R576 F629 | V568-T572 WeakPolarHBondContact O-CB 3.35Å; V568-T572 PolarHBondContact O-N 2.68Å; V568-T572 PolarHBondContact O-OG1 2.73Å; N569-T572 PolarHBondContact O-N 3.16Å; L570-T572 VanDerWaalsContact C-N 3.35Å; T572-L575 PolarHBondContact O-N 2.91Å; T572-R576 PolarHBondContact O-N 3.34Å; T572-F629 WeakPolarHBondContact OG1-CZ 3.48Å |
| 573 | N | 94 | Very high | 91.1 | Very high | 78 Ų | 78 | 65 Ų | 65 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.3 | -72.1 | -20.8 | 0 | 0 | 0 | 111.2 | N569 L575 R576 E577 | N569-N573 WeakPolarHBondContact O-CB 3.31Å; N569-N573 PolarHBondContact O-N 3.23Å; N569-N573 PolarHBondContact O-ND2 3.38Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 3.48Å; N573-R576 WeakPolarHBondContact O-CB 3.31Å; N573-R576 PolarHBondContact O-N 3.04Å; N573-R576 VanDerWaalsContact O-N 3.15Å; N573-R576 VanDerWaalsContact OD1-CZ 3.3Å; N573-R576 PolarHBondContact OD1-NH1 2.94Å; N573-R576 PolarHBondContact OD1-NH2 3.46Å; N573-E577 VanDerWaalsContact O-CB 3.28Å; N573-E577 WeakPolarHBondContact O-CB 3.34Å; N573-E577 PolarHBondContact O-N 2.9Å |
| 574 | R | 93.5 | Very high | 91.7 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 26% | 0.26 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 178.1 | -170.2 | 179.9 | -175.2 | -166.4 | 0.4 | 113.3 | L570 I571 R578 | L570-R574 VanDerWaalsContact O-CB 3.24Å; L570-R574 WeakPolarHBondContact O-CB 3.26Å; L570-R574 PolarHBondContact O-N 3.23Å; I571-R574 PolarHBondContact O-N 3.05Å; R574-R578 WeakPolarHBondContact O-CB 3Å; R574-R578 WeakPolarHBondContact O-CG 3.5Å; R574-R578 PolarHBondContact O-N 2.83Å |
| 575 | L | 93.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 173.8 | -75.6 | 166.2 | 0 | 0 | 0 | 112 | I571 T572 N573 R579 C602 M603 C606 F629 | I571-L575 HydrophobicContact CG2-CD1 3.82Å; I571-L575 WeakPolarHBondContact O-CB 3.29Å; I571-L575 WeakPolarHBondContact O-CG 3.42Å; I571-L575 PolarHBondContact O-N 3.35Å; T572-L575 PolarHBondContact O-N 2.91Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 3.48Å; L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3.39Å; L575-C602 HydrophobicContact CD2-CB 4.17Å; L575-M603 HydrophobicContact CD1-CE 3.71Å; L575-M603 HydrophobicContact CD1-SD 3.85Å; L575-M603 HydrophobicContact CD2-CE 4.17Å; L575-C606 HydrophobicContact CD1-CB 4.36Å; L575-C606 HydrophobicContact CD2-CB 4.42Å; L575-C606 HydrophobicContact CG-CB 4.4Å; L575-F629 HydrophobicContact CD1-CD1 3.66Å; L575-F629 HydrophobicContact CD1-CE1 3.77Å |
| 576 | R | 92.7 | Very high | 91.6 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 173.8 | -163.3 | -166.8 | -50.7 | 115.8 | 10.4 | 111 | T572 N573 R578 R579 S580 | T572-R576 PolarHBondContact O-N 3.34Å; N573-R576 WeakPolarHBondContact O-CB 3.31Å; N573-R576 PolarHBondContact O-N 3.04Å; N573-R576 VanDerWaalsContact O-N 3.15Å; N573-R576 VanDerWaalsContact OD1-CZ 3.3Å; N573-R576 PolarHBondContact OD1-NH1 2.94Å; N573-R576 PolarHBondContact OD1-NH2 3.46Å; R576-R578 PolarHBondContact O-N 2.96Å; R576-R579 WeakPolarHBondContact O-CA 3.4Å; R576-R579 WeakPolarHBondContact O-CB 3.36Å; R576-R579 PolarHBondContact O-N 3.25Å; R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 PolarHBondContact O-OG 2.72Å |
| 577 | E | 93.4 | Very high | 91.4 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.2 | -50.6 | 174.6 | 176.7 | -178.6 | -118.6 | 0 | 0 | 111.5 | N573 R579 S580 E581 | N573-E577 VanDerWaalsContact O-CB 3.28Å; N573-E577 WeakPolarHBondContact O-CB 3.34Å; N573-E577 PolarHBondContact O-N 2.9Å; E577-R579 PolarHBondContact O-N 2.93Å; E577-S580 PolarHBondContact O-N 3.23Å; E577-S580 VanDerWaalsContact O-N 3.13Å; E577-E581 WeakPolarHBondContact O-CG 3.3Å; E577-E581 PolarHBondContact O-N 3.47Å |
| 578 | R | 92.4 | Very high | 91.3 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -20.4 | 175.7 | -73.9 | -52.9 | -170.7 | 159.3 | -5.5 | 114.9 | R574 R576 E581 L582 | R574-R578 WeakPolarHBondContact O-CB 3Å; R574-R578 WeakPolarHBondContact O-CG 3.5Å; R574-R578 PolarHBondContact O-N 2.83Å; R576-R578 PolarHBondContact O-N 2.96Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE1 2.74Å; R578-E581 IonicContact CZ-OE2 2.96Å; R578-E581 IonicContact NE-OE1 3.4Å; R578-E581 IonicContact NE-OE2 3.15Å; R578-E581 PolarHBondContact NE-OE2 3.45Å; R578-E581 IonicContact NH1-OE1 2.7Å; R578-E581 IonicContact NH1-OE2 3.65Å; R578-E581 PolarHBondContact NH1-OE2 3.06Å; R578-L582 WeakPolarHBondContact O-CB 3.4Å; R578-L582 WeakPolarHBondContact O-CD1 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.31Å; R578-L582 WeakPolarHBondContact O-CG 3.35Å |
| 579 | R | 92.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.2 | -43.7 | 169.2 | -70 | -179.6 | -153.4 | 123.9 | 12.2 | 111.6 | L575 R576 E577 L582 G583 L584 D586 E599 | L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3.39Å; R576-R579 WeakPolarHBondContact O-CA 3.4Å; R576-R579 WeakPolarHBondContact O-CB 3.36Å; R576-R579 PolarHBondContact O-N 3.25Å; E577-R579 PolarHBondContact O-N 2.93Å; R579-L582 CarbonylContact O-C 3.52Å; R579-L582 PolarHBondContact O-N 2.89Å; R579-G583 PolarHBondContact O-N 3.39Å; R579-L584 HydrophobicContact CB-CB 3.96Å; R579-L584 HydrophobicContact CG-CB 3.9Å; R579-L584 HydrophobicContact CG-CD1 4.3Å; R579-L584 PolarHBondContact O-N 2.9Å; R579-D586 VanDerWaalsContact CD-OD1 3.31Å; R579-D586 WeakPolarHBondContact CD-OD1 3.35Å; R579-D586 IonicContact CZ-OD1 3.16Å; R579-D586 IonicContact NE-OD1 3.56Å; R579-D586 IonicContact NH1-OD1 3.53Å; R579-D586 PolarHBondContact NH1-OD1 3.12Å; R579-E599 IonicContact CZ-OE1 3.48Å; R579-E599 IonicContact CZ-OE2 2.7Å; R579-E599 IonicContact NE-OE1 2.67Å; R579-E599 PolarHBondContact NE-OE1 3.42Å; R579-E599 IonicContact NE-OE2 2.71Å; R579-E599 PolarHBondContact NE-OE2 2.74Å; R579-E599 IonicContact NH2-OE1 3.62Å; R579-E599 PolarHBondContact NH2-OE1 2.96Å; R579-E599 IonicContact NH2-OE2 3.51Å |
| 580 | S | 90.6 | Very high | 90.6 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | R576 E577 L582 | R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 PolarHBondContact O-OG 2.72Å; E577-S580 PolarHBondContact O-N 3.23Å; E577-S580 VanDerWaalsContact O-N 3.13Å; S580-L582 PolarHBondContact O-N 3.24Å |
| 581 | E | 90.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 67.9 Ų | 67.9 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -33.3 | 175.6 | -75.5 | 179.7 | -171.5 | 0 | 0 | 113.7 | E577 R578 | E577-E581 WeakPolarHBondContact O-CG 3.3Å; E577-E581 PolarHBondContact O-N 3.47Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE1 2.74Å; R578-E581 IonicContact CZ-OE2 2.96Å; R578-E581 IonicContact NE-OE1 3.4Å; R578-E581 IonicContact NE-OE2 3.15Å; R578-E581 PolarHBondContact NE-OE2 3.45Å; R578-E581 IonicContact NH1-OE1 2.7Å; R578-E581 IonicContact NH1-OE2 3.65Å; R578-E581 PolarHBondContact NH1-OE2 3.06Å |
| 582 | L | 86.9 | Confident | 90.1 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 38% | 0.382 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 5.8 | -169.9 | -64 | 177 | 0 | 0 | 0 | 113.2 | R578 R579 S580 L584 M598 | R578-L582 WeakPolarHBondContact O-CB 3.4Å; R578-L582 WeakPolarHBondContact O-CD1 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.31Å; R578-L582 WeakPolarHBondContact O-CG 3.35Å; R579-L582 CarbonylContact O-C 3.52Å; R579-L582 PolarHBondContact O-N 2.89Å; S580-L582 PolarHBondContact O-N 3.24Å; L582-L584 HydrophobicContact CB-CD1 3.81Å; L582-L584 HydrophobicContact CB-CG 3.72Å; L582-L584 HydrophobicContact CD1-CD1 3.91Å; L582-L584 PolarHBondContact O-N 2.92Å; L582-M598 HydrophobicContact CD1-CE 3.95Å; L582-M598 HydrophobicContact CD2-CE 4.26Å |
| 583 | G | 85.3 | Confident | 90 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 28.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R579 | R579-G583 PolarHBondContact O-N 3.39Š|
| 584 | L | 88.5 | Confident | 89.9 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | trans | -82.9 | 132.3 | -174.8 | -65.3 | 170.6 | 0 | 0 | 0 | 111.2 | R579 L582 M591 Q595 | R579-L584 HydrophobicContact CB-CB 3.96Å; R579-L584 HydrophobicContact CG-CB 3.9Å; R579-L584 HydrophobicContact CG-CD1 4.3Å; R579-L584 PolarHBondContact O-N 2.9Å; L582-L584 HydrophobicContact CB-CD1 3.81Å; L582-L584 HydrophobicContact CB-CG 3.72Å; L582-L584 HydrophobicContact CD1-CD1 3.91Å; L582-L584 PolarHBondContact O-N 2.92Å; L584-M591 HydrophobicContact CB-CE 3.93Å; L584-M591 HydrophobicContact CD1-CE 4.47Å; L584-M591 HydrophobicContact CD2-CE 3.92Å; L584-M591 HydrophobicContact CG-CE 4.33Å; L584-Q595 HydrophobicContact CD2-CB 3.59Å; L584-Q595 HydrophobicContact CD2-CG 3.54Å | ||
| 585 | P | 88.1 | Confident | 89.8 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | trans | -58.8 | 139 | 172.1 | -25.8 | 35.4 | 0 | 0 | 0 | 112.9 | S587 D590 M591 | P585-S587 VanDerWaalsContact C-N 3.31Å; P585-D590 HydrophobicContact CB-CB 4.26Å; P585-M591 HydrophobicContact CB-CG 4.22Å; P585-M591 HydrophobicContact CG-CG 4.49Å | ||
| 586 | D | 85 | Confident | 89.9 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -70.3 | -30.2 | 174.1 | -101.5 | -43 | 0 | 0 | 0 | 112.2 | R579 R632 | R579-D586 VanDerWaalsContact CD-OD1 3.31Å; R579-D586 WeakPolarHBondContact CD-OD1 3.35Å; R579-D586 IonicContact CZ-OD1 3.16Å; R579-D586 IonicContact NE-OD1 3.56Å; R579-D586 IonicContact NH1-OD1 3.53Å; R579-D586 PolarHBondContact NH1-OD1 3.12Å; D586-R632 VanDerWaalsContact O-CZ 3.3Å; D586-R632 PolarHBondContact O-NH1 3.45Å; D586-R632 PolarHBondContact O-NH2 3.31Å |
| 587 | S | 86.7 | Confident | 89.9 | Confident | 50 Ų | 50 | 72 Ų | 72 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -80.3 | 126.7 | 173.2 | 168.5 | 0 | 0 | 0 | 0 | 111 | P585 K589 D590 M591 | P585-S587 VanDerWaalsContact C-N 3.31Å; S587-K589 PolarHBondContact O-N 2.77Å; S587-K589 PolarHBondContact OG-N 2.85Å; S587-D590 WeakPolarHBondContact CB-OD2 3.48Å; S587-D590 PolarHBondContact O-N 2.95Å; S587-D590 PolarHBondContact OG-OD2 3.49Å; S587-M591 VanDerWaalsContact O-CG 3.3Å; S587-M591 WeakPolarHBondContact O-CG 3.46Å |
| 588 | I | 88.9 | Confident | 89.8 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.138 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -66.4 | -27 | -177.6 | -48.4 | 168.8 | 0 | 0 | 0 | 111.5 | D590 L596 R632 L635 L636 L639 | I588-D590 VanDerWaalsContact C-N 3.29Å; I588-D590 PolarHBondContact O-N 3.42Å; I588-L596 HydrophobicContact CG2-CD2 3.66Å; I588-R632 HydrophobicContact CD1-CG 3.79Å; I588-R632 HydrophobicContact CG1-CG 4.44Å; I588-L635 HydrophobicContact CD1-CB 4.29Å; I588-L635 HydrophobicContact CD1-CD1 4.01Å; I588-L636 HydrophobicContact CG2-CD2 3.95Å; I588-L636 HydrophobicContact CG2-CG 4.47Å; I588-L639 HydrophobicContact CG2-CD1 3.66Å |
| 589 | K | 87.5 | Confident | 89.9 | Confident | 191 Ų | 191 | 64.8 Ų | 64.8 | 83% | 0.83 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -68.3 | -30.3 | -177.5 | -66.5 | -176 | 177.8 | -177.5 | 0 | 112.8 | S587 | S587-K589 PolarHBondContact O-N 2.77Å; S587-K589 PolarHBondContact OG-N 2.85Å |
| 590 | D | 87.5 | Confident | 90 | Very high | 110 Ų | 110 | 66.4 Ų | 66.4 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -98 | 5.7 | -170.2 | -46.2 | -63.3 | 0 | 0 | 0 | 111.6 | P585 S587 I588 | P585-D590 HydrophobicContact CB-CB 4.26Å; S587-D590 WeakPolarHBondContact CB-OD2 3.48Å; S587-D590 PolarHBondContact O-N 2.95Å; S587-D590 PolarHBondContact OG-OD2 3.49Å; I588-D590 VanDerWaalsContact C-N 3.29Å; I588-D590 PolarHBondContact O-N 3.42Å |
| 591 | M | 88.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.054 | 35% | 0.348 | C | S | . | . | trans | -88.4 | 130.6 | 177.3 | -51.4 | -170.4 | 81.1 | 0 | 0 | 110.9 | L584 P585 S587 Q595 L596 E599 | L584-M591 HydrophobicContact CB-CE 3.93Å; L584-M591 HydrophobicContact CD1-CE 4.47Å; L584-M591 HydrophobicContact CD2-CE 3.92Å; L584-M591 HydrophobicContact CG-CE 4.33Å; P585-M591 HydrophobicContact CB-CG 4.22Å; P585-M591 HydrophobicContact CG-CG 4.49Å; S587-M591 VanDerWaalsContact O-CG 3.3Å; S587-M591 WeakPolarHBondContact O-CG 3.46Å; M591-Q595 HydrophobicContact CB-CB 4.03Å; M591-Q595 HydrophobicContact CE-CB 4.11Å; M591-L596 HydrophobicContact CB-CD2 3.78Å; M591-L596 HydrophobicContact CB-CG 3.87Å; M591-L596 HydrophobicContact CG-CD2 4.41Å; M591-L596 HydrophobicContact SD-CD2 4.26Å; M591-E599 HydrophobicContact CE-CB 3.71Å; M591-E599 HydrophobicContact CE-CG 4.2Å; M591-E599 HydrophobicContact SD-CB 4.22Å; M591-E599 HydrophobicContact SD-CG 4.21Å | ||
| 592 | S | 91.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | trans | -64.5 | 161.3 | 171.9 | 81.1 | 0 | 0 | 0 | 0 | 112.2 | F594 Q595 L596 | S592-F594 PolarHBondContact O-N 3.14Å; S592-F594 VanDerWaalsContact O-N 3.13Å; S592-Q595 WeakPolarHBondContact O-CA 3.43Å; S592-Q595 WeakPolarHBondContact O-CB 3.31Å; S592-Q595 PolarHBondContact O-N 3.35Å; S592-Q595 WeakPolarHBondContact OG-CG 3.3Å; S592-Q595 PolarHBondContact OG-N 3.41Å; S592-L596 WeakPolarHBondContact O-CG 3.46Å; S592-L596 PolarHBondContact O-N 3.01Å | ||
| 593 | H | 92 | Very high | 90.8 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.6 | -37.6 | 178.1 | -176.1 | -98.9 | 0 | 0 | 0 | 113.3 | S597 L640 | H593-S597 PolarHBondContact O-N 2.93Å; H593-L640 WeakPolarHBondContact NE2-CD2 3.27Å |
| 594 | F | 91.2 | Very high | 91.3 | Very high | 136 Ų | 136 | 57.5 Ų | 57.5 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.3 | -49.5 | 173.5 | 177.4 | -111.4 | 0 | 0 | 0 | 111.8 | S592 L596 S597 M598 | S592-F594 PolarHBondContact O-N 3.14Å; S592-F594 VanDerWaalsContact O-N 3.13Å; F594-L596 PolarHBondContact O-N 2.96Å; F594-S597 WeakPolarHBondContact O-CA 3.37Å; F594-S597 WeakPolarHBondContact O-CB 3.34Å; F594-S597 PolarHBondContact O-N 3.34Å; F594-S597 PolarHBondContact O-OG 3.05Å; F594-M598 HydrophobicContact CD1-SD 3.93Å; F594-M598 HydrophobicContact CE1-CE 4.41Å; F594-M598 HydrophobicContact CE1-CG 4.32Å; F594-M598 HydrophobicContact CE1-SD 3.38Å; F594-M598 WeakPolarHBondContact CE1-SD 2.97Å; F594-M598 HydrophobicContact CZ-CE 4.45Å; F594-M598 HydrophobicContact CZ-CG 4.29Å; F594-M598 HydrophobicContact CZ-SD 3.75Å; F594-M598 PolarHBondContact O-N 3.43Å; F594-M598 VanDerWaalsContact O-N 3.15Å |
| 595 | Q | 93 | Very high | 91.6 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 179.1 | -69 | 175.7 | -34.4 | 0 | 0 | 112.5 | L584 M591 S592 S597 M598 E599 | L584-Q595 HydrophobicContact CD2-CB 3.59Å; L584-Q595 HydrophobicContact CD2-CG 3.54Å; M591-Q595 HydrophobicContact CB-CB 4.03Å; M591-Q595 HydrophobicContact CE-CB 4.11Å; S592-Q595 WeakPolarHBondContact O-CA 3.43Å; S592-Q595 WeakPolarHBondContact O-CB 3.31Å; S592-Q595 PolarHBondContact O-N 3.35Å; S592-Q595 WeakPolarHBondContact OG-CG 3.3Å; S592-Q595 PolarHBondContact OG-N 3.41Å; Q595-S597 PolarHBondContact O-N 3.14Å; Q595-M598 PolarHBondContact O-N 2.83Å; Q595-M598 VanDerWaalsContact O-N 3.15Å; Q595-E599 PolarHBondContact O-N 2.99Å |
| 596 | L | 94.1 | Very high | 92 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.8 | -38.1 | 172 | -70.7 | 171.5 | 0 | 0 | 0 | 111.6 | I588 M591 S592 F594 K600 L636 L639 L640 | I588-L596 HydrophobicContact CG2-CD2 3.66Å; M591-L596 HydrophobicContact CB-CD2 3.78Å; M591-L596 HydrophobicContact CB-CG 3.87Å; M591-L596 HydrophobicContact CG-CD2 4.41Å; M591-L596 HydrophobicContact SD-CD2 4.26Å; S592-L596 WeakPolarHBondContact O-CG 3.46Å; S592-L596 PolarHBondContact O-N 3.01Å; F594-L596 PolarHBondContact O-N 2.96Å; L596-K600 WeakPolarHBondContact O-CB 3.3Å; L596-K600 PolarHBondContact O-N 2.7Å; L596-L636 HydrophobicContact CB-CD2 4.46Å; L596-L636 HydrophobicContact CD2-CD2 3.65Å; L596-L639 HydrophobicContact CD1-CB 4.18Å; L596-L639 HydrophobicContact CD2-CD1 4.21Å; L596-L640 HydrophobicContact CB-CD1 4.38Å; L596-L640 HydrophobicContact CB-CD2 3.77Å; L596-L640 HydrophobicContact CB-CG 4.08Å |
| 597 | S | 92.9 | Very high | 92.5 | Very high | 42 Ų | 42 | 58 Ų | 58 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | 177.3 | 84.8 | 0 | 0 | 0 | 0 | 113 | H593 F594 Q595 T601 | H593-S597 PolarHBondContact O-N 2.93Å; F594-S597 WeakPolarHBondContact O-CA 3.37Å; F594-S597 WeakPolarHBondContact O-CB 3.34Å; F594-S597 PolarHBondContact O-N 3.34Å; F594-S597 PolarHBondContact O-OG 3.05Å; Q595-S597 PolarHBondContact O-N 3.14Å; S597-T601 PolarHBondContact O-N 3.23Å; S597-T601 VanDerWaalsContact O-N 3.12Å; S597-T601 PolarHBondContact O-OG1 3.49Å |
| 598 | M | 92.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 61 Ų | 61 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -50.6 | 175.5 | -61 | 179.3 | 85.2 | 0 | 0 | 111.1 | L582 F594 Q595 K600 T601 C602 | L582-M598 HydrophobicContact CD1-CE 3.95Å; L582-M598 HydrophobicContact CD2-CE 4.26Å; F594-M598 HydrophobicContact CD1-SD 3.93Å; F594-M598 HydrophobicContact CE1-CE 4.41Å; F594-M598 HydrophobicContact CE1-CG 4.32Å; F594-M598 HydrophobicContact CE1-SD 3.38Å; F594-M598 WeakPolarHBondContact CE1-SD 2.97Å; F594-M598 HydrophobicContact CZ-CE 4.45Å; F594-M598 HydrophobicContact CZ-CG 4.29Å; F594-M598 HydrophobicContact CZ-SD 3.75Å; F594-M598 PolarHBondContact O-N 3.43Å; F594-M598 VanDerWaalsContact O-N 3.15Å; Q595-M598 PolarHBondContact O-N 2.83Å; Q595-M598 VanDerWaalsContact O-N 3.15Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 2.98Å; M598-T601 WeakPolarHBondContact O-CA 3.34Å; M598-T601 WeakPolarHBondContact O-CB 3.21Å; M598-T601 PolarHBondContact O-N 3.07Å; M598-C602 PolarHBondContact O-N 3.19Å; M598-C602 PolarHBondContact O-SG 2.84Å; M598-C602 VanDerWaalsContact O-SG 3.39Å |
| 599 | E | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.5 | 170.4 | 73.6 | -178.3 | 0 | 0 | 111.2 | R579 M591 Q595 T601 C602 M603 R632 L636 | R579-E599 IonicContact CZ-OE1 3.48Å; R579-E599 IonicContact CZ-OE2 2.7Å; R579-E599 IonicContact NE-OE1 2.67Å; R579-E599 PolarHBondContact NE-OE1 3.42Å; R579-E599 IonicContact NE-OE2 2.71Å; R579-E599 PolarHBondContact NE-OE2 2.74Å; R579-E599 IonicContact NH2-OE1 3.62Å; R579-E599 PolarHBondContact NH2-OE1 2.96Å; R579-E599 IonicContact NH2-OE2 3.51Å; M591-E599 HydrophobicContact CE-CB 3.71Å; M591-E599 HydrophobicContact CE-CG 4.2Å; M591-E599 HydrophobicContact SD-CB 4.22Å; M591-E599 HydrophobicContact SD-CG 4.21Å; Q595-E599 PolarHBondContact O-N 2.99Å; E599-T601 VanDerWaalsContact C-N 3.28Å; E599-T601 PolarHBondContact O-N 3.35Å; E599-C602 PolarHBondContact O-N 3.35Å; E599-M603 VanDerWaalsContact O-CB 3.29Å; E599-M603 WeakPolarHBondContact O-CB 3.31Å; E599-M603 PolarHBondContact O-N 3.45Å; E599-R632 IonicContact OE1-CZ 3.67Å; E599-R632 IonicContact OE1-NE 3.33Å; E599-R632 PolarHBondContact OE1-NE 2.92Å; E599-R632 IonicContact OE1-NH2 2.78Å; E599-R632 PolarHBondContact OE1-NH2 2.89Å; E599-R632 VanDerWaalsContact OE1-NH2 3.16Å; E599-L636 HydrophobicContact CB-CD2 4.2Å; E599-L636 HydrophobicContact CG-CD1 3.62Å; E599-L636 HydrophobicContact CG-CD2 3.76Å; E599-L636 HydrophobicContact CG-CG 4.35Å |
| 600 | K | 95.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 26% | 0.261 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.6 | -44 | 171.1 | 172.8 | -179.8 | 162 | -169.1 | 0 | 111.9 | L596 M598 M603 Q604 Y633 L636 L640 | L596-K600 WeakPolarHBondContact O-CB 3.3Å; L596-K600 PolarHBondContact O-N 2.7Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 2.98Å; K600-M603 PolarHBondContact O-N 3.16Å; K600-Q604 VanDerWaalsContact O-CG 3.31Å; K600-Q604 WeakPolarHBondContact O-CG 3.4Å; K600-Q604 PolarHBondContact O-N 2.55Å; K600-Y633 HydrophobicContact CG-CD2 4.44Å; K600-Y633 HydrophobicContact CG-CE2 3.98Å; K600-L636 HydrophobicContact CB-CB 4.31Å; K600-L640 HydrophobicContact CB-CD1 4.16Å; K600-L640 HydrophobicContact CD-CD1 3.39Å; K600-L640 HydrophobicContact CG-CD1 4.41Å |
| 601 | T | 94.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 37% | 0.368 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | -179.6 | -58 | 0 | 0 | 0 | 0 | 111.6 | S597 M598 E599 Q604 K605 | S597-T601 PolarHBondContact O-N 3.23Å; S597-T601 VanDerWaalsContact O-N 3.12Å; S597-T601 PolarHBondContact O-OG1 3.49Å; M598-T601 WeakPolarHBondContact O-CA 3.34Å; M598-T601 WeakPolarHBondContact O-CB 3.21Å; M598-T601 PolarHBondContact O-N 3.07Å; E599-T601 VanDerWaalsContact C-N 3.28Å; E599-T601 PolarHBondContact O-N 3.35Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-K605 HydrophobicContact CG2-CD 4.47Å; T601-K605 WeakPolarHBondContact O-CG 3.48Å; T601-K605 PolarHBondContact O-N 3.47Å |
| 602 | C | 94.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.8 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | L575 M598 E599 K605 C606 | L575-C602 HydrophobicContact CD2-CB 4.17Å; M598-C602 PolarHBondContact O-N 3.19Å; M598-C602 PolarHBondContact O-SG 2.84Å; M598-C602 VanDerWaalsContact O-SG 3.39Å; E599-C602 PolarHBondContact O-N 3.35Å; C602-K605 PolarHBondContact O-N 2.97Å; C602-C606 PolarHBondContact O-N 3.4Å; C602-C606 PolarHBondContact O-SG 3.28Å |
| 603 | M | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.7 | -168.5 | 61 | 65.9 | 0 | 0 | 111.9 | L575 E599 K600 K605 C606 L607 F629 R632 Y633 | L575-M603 HydrophobicContact CD1-CE 3.71Å; L575-M603 HydrophobicContact CD1-SD 3.85Å; L575-M603 HydrophobicContact CD2-CE 4.17Å; E599-M603 VanDerWaalsContact O-CB 3.29Å; E599-M603 WeakPolarHBondContact O-CB 3.31Å; E599-M603 PolarHBondContact O-N 3.45Å; K600-M603 PolarHBondContact O-N 3.16Å; M603-K605 PolarHBondContact O-N 3.38Å; M603-C606 PolarHBondContact O-N 3.31Å; M603-L607 HydrophobicContact CG-CD1 4.09Å; M603-L607 WeakPolarHBondContact O-CB 3.38Å; M603-L607 WeakPolarHBondContact O-CG 3.43Å; M603-L607 PolarHBondContact O-N 3.35Å; M603-F629 HydrophobicContact CE-CD1 4.42Å; M603-F629 HydrophobicContact SD-CB 3.78Å; M603-F629 HydrophobicContact SD-CD1 3.97Å; M603-F629 HydrophobicContact SD-CG 4.37Å; M603-R632 HydrophobicContact CE-CB 4.23Å; M603-R632 HydrophobicContact CE-CG 3.92Å; M603-Y633 HydrophobicContact CG-CD2 4.31Å; M603-Y633 HydrophobicContact CG-CG 4.44Å |
| 604 | Q | 95.9 | Very high | 93.4 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 173.6 | -76.1 | 175.3 | -21.4 | 0 | 0 | 112.2 | K600 T601 C606 L607 L608 Y633 | K600-Q604 VanDerWaalsContact O-CG 3.31Å; K600-Q604 WeakPolarHBondContact O-CG 3.4Å; K600-Q604 PolarHBondContact O-N 2.55Å; T601-Q604 PolarHBondContact O-N 3.49Å; Q604-C606 VanDerWaalsContact C-N 3.28Å; Q604-C606 PolarHBondContact O-N 2.98Å; Q604-L607 PolarHBondContact O-N 3.33Å; Q604-L608 WeakPolarHBondContact O-CB 3.45Å; Q604-L608 VanDerWaalsContact O-CG 3.32Å; Q604-L608 WeakPolarHBondContact O-CG 3.22Å; Q604-L608 PolarHBondContact O-N 2.95Å; Q604-Y633 HydrophobicContact CG-CD2 4.22Å; Q604-Y633 HydrophobicContact CG-CE2 3.46Å; Q604-Y633 VanDerWaalsContact CG-CE2 3.46Å; Q604-Y633 PolarHBondContact NE2-OH 2.94Å |
| 605 | K | 95.5 | Very high | 93.3 | Very high | 134 Ų | 134 | 47.6 Ų | 47.6 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.4 | -37.8 | 177.1 | -73.5 | 171.9 | 179.1 | 179 | 0 | 112.1 | T601 C602 M603 Y609 | T601-K605 HydrophobicContact CG2-CD 4.47Å; T601-K605 WeakPolarHBondContact O-CG 3.48Å; T601-K605 PolarHBondContact O-N 3.47Å; C602-K605 PolarHBondContact O-N 2.97Å; M603-K605 PolarHBondContact O-N 3.38Å; K605-Y609 WeakPolarHBondContact O-CB 3.34Å; K605-Y609 PolarHBondContact O-N 3.15Å; K605-Y609 VanDerWaalsContact O-N 3.12Å |
| 606 | C | 94.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.4 | -39 | 179.1 | -64 | 0 | 0 | 0 | 0 | 113.3 | I571 L575 C602 M603 Q604 Y609 F610 | I571-C606 HydrophobicContact CG1-CB 4.5Å; I571-C606 HydrophobicContact CG2-CB 3.83Å; L575-C606 HydrophobicContact CD1-CB 4.36Å; L575-C606 HydrophobicContact CD2-CB 4.42Å; L575-C606 HydrophobicContact CG-CB 4.4Å; C602-C606 PolarHBondContact O-N 3.4Å; C602-C606 PolarHBondContact O-SG 3.28Å; M603-C606 PolarHBondContact O-N 3.31Å; Q604-C606 VanDerWaalsContact C-N 3.28Å; Q604-C606 PolarHBondContact O-N 2.98Å; C606-Y609 WeakPolarHBondContact O-CB 3.43Å; C606-Y609 PolarHBondContact O-N 3.42Å; C606-F610 PolarHBondContact O-N 2.9Å |
| 607 | L | 95.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 174.5 | -72 | 171.7 | 0 | 0 | 0 | 111.9 | M603 Q604 F610 E611 M626 F629 Y630 Y633 | M603-L607 HydrophobicContact CG-CD1 4.09Å; M603-L607 WeakPolarHBondContact O-CB 3.38Å; M603-L607 WeakPolarHBondContact O-CG 3.43Å; M603-L607 PolarHBondContact O-N 3.35Å; Q604-L607 PolarHBondContact O-N 3.33Å; L607-F610 WeakPolarHBondContact O-CB 3.49Å; L607-F610 PolarHBondContact O-N 3.02Å; L607-E611 PolarHBondContact O-N 2.82Å; L607-M626 HydrophobicContact CD2-SD 4.35Å; L607-F629 HydrophobicContact CD2-CB 3.81Å; L607-Y630 HydrophobicContact CD1-CD1 3.98Å; L607-Y630 HydrophobicContact CD1-CE1 4.01Å; L607-Y630 HydrophobicContact CD2-CD1 4.03Å; L607-Y630 HydrophobicContact CD2-CE1 3.73Å; L607-Y630 HydrophobicContact CD2-CE2 4.44Å; L607-Y630 HydrophobicContact CD2-CG 4.49Å; L607-Y630 HydrophobicContact CG-CE1 4.4Å; L607-Y633 HydrophobicContact CD1-CD1 4.34Å; L607-Y633 HydrophobicContact CD1-CG 4.13Å |
| 608 | L | 95.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 60% | 0.597 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.9 | -34.9 | 174.2 | -71.3 | 169.7 | 0 | 0 | 0 | 112.5 | Q604 E611 G612 | Q604-L608 WeakPolarHBondContact O-CB 3.45Å; Q604-L608 VanDerWaalsContact O-CG 3.32Å; Q604-L608 WeakPolarHBondContact O-CG 3.22Å; Q604-L608 PolarHBondContact O-N 2.95Å; L608-E611 PolarHBondContact O-N 3.12Å; L608-G612 PolarHBondContact O-N 3.36Å |
| 609 | Y | 93.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 172.1 | 174.9 | -105.6 | 0 | 0 | 0 | 111.8 | L570 I571 K605 C606 G612 L613 | L570-Y609 HydrophobicContact CD2-CE1 4.07Å; L570-Y609 WeakPolarHBondContact CD2-OH 3.22Å; I571-Y609 HydrophobicContact CD1-CD1 4.22Å; I571-Y609 HydrophobicContact CG1-CD1 4.05Å; I571-Y609 HydrophobicContact CG1-CE1 4.48Å; K605-Y609 WeakPolarHBondContact O-CB 3.34Å; K605-Y609 PolarHBondContact O-N 3.15Å; K605-Y609 VanDerWaalsContact O-N 3.12Å; C606-Y609 WeakPolarHBondContact O-CB 3.43Å; C606-Y609 PolarHBondContact O-N 3.42Å; Y609-G612 PolarHBondContact O-N 3.27Å; Y609-L613 HydrophobicContact CD1-CD1 4.43Å; Y609-L613 HydrophobicContact CE1-CD1 3.82Å; Y609-L613 HydrophobicContact CE2-CD1 3.96Å; Y609-L613 PolarHBondContact O-N 2.79Å |
| 610 | F | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 171.6 | -173 | -84.8 | 0 | 0 | 0 | 111.9 | L564 T567 I571 C606 L607 G612 L613 H614 P617 Q622 M626 | L564-F610 HydrophobicContact CD1-CE2 3.65Å; L564-F610 HydrophobicContact CD1-CZ 3.62Å; T567-F610 HydrophobicContact CG2-CD2 4.25Å; I571-F610 HydrophobicContact CD1-CB 3.82Å; I571-F610 HydrophobicContact CD1-CD2 4.01Å; I571-F610 HydrophobicContact CD1-CG 4.41Å; C606-F610 PolarHBondContact O-N 2.9Å; L607-F610 WeakPolarHBondContact O-CB 3.49Å; L607-F610 PolarHBondContact O-N 3.02Å; F610-G612 PolarHBondContact O-N 3.15Å; F610-L613 PolarHBondContact O-N 2.7Å; F610-L613 VanDerWaalsContact O-N 3.07Å; F610-H614 HydrophobicContact CD1-CB 4.2Å; F610-H614 HydrophobicContact CE1-CB 3.61Å; F610-H614 HydrophobicContact CE2-CB 4.16Å; F610-H614 AromaticContact CE2-CD2 3.74Å; F610-H614 HydrophobicContact CZ-CB 3.6Å; F610-H614 AromaticContact CZ-CG 3.89Å; F610-H614 PolarHBondContact O-N 3.2Å; F610-P617 HydrophobicContact CD1-CG 4.33Å; F610-P617 HydrophobicContact CE1-CG 3.78Å; F610-Q622 HydrophobicContact CZ-CG 4.48Å; F610-M626 HydrophobicContact CB-SD 4.12Å; F610-M626 HydrophobicContact CD1-CG 4.11Å; F610-M626 HydrophobicContact CD1-SD 3.97Å; F610-M626 HydrophobicContact CD2-CE 3.62Å; F610-M626 HydrophobicContact CD2-CG 4.19Å; F610-M626 HydrophobicContact CD2-SD 3.6Å; F610-M626 HydrophobicContact CE1-CG 3.91Å; F610-M626 HydrophobicContact CE1-SD 4.34Å; F610-M626 HydrophobicContact CE2-CE 3.86Å; F610-M626 HydrophobicContact CE2-CG 3.96Å; F610-M626 HydrophobicContact CE2-SD 3.98Å; F610-M626 HydrophobicContact CG-CE 4.23Å; F610-M626 HydrophobicContact CG-CG 4.26Å; F610-M626 HydrophobicContact CG-SD 3.6Å; F610-M626 VanDerWaalsContact CG-SD 3.6Å; F610-M626 HydrophobicContact CZ-CG 3.82Å; F610-M626 HydrophobicContact CZ-SD 4.33Å |
| 611 | E | 93.2 | Very high | 91.5 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -32.5 | 180 | -170.3 | 170.4 | -167.2 | 0 | 0 | 112 | L607 L608 G615 R616 | L607-E611 PolarHBondContact O-N 2.82Å; L608-E611 PolarHBondContact O-N 3.12Å; E611-G615 WeakPolarHBondContact O-CA 3.28Å; E611-G615 PolarHBondContact O-N 3.22Å; E611-G615 VanDerWaalsContact O-N 3.08Å; E611-R616 HydrophobicContact CG-CG 4.24Å; E611-R616 VanDerWaalsContact OE1-CG 3.26Å; E611-R616 WeakPolarHBondContact OE1-CG 3.35Å; E611-R616 IonicContact OE1-CZ 3.89Å; E611-R616 IonicContact OE1-NE 2.77Å; E611-R616 PolarHBondContact OE1-NE 3.29Å; E611-R616 IonicContact OE1-NH2 4Å; E611-R616 PolarHBondContact OE1-NH2 2.73Å; E611-R616 VanDerWaalsContact OE1-NH2 3.16Å |
| 612 | G | 92.9 | Very high | 91.3 | Very high | 70 Ų | 70 | 69.5 Ų | 69.5 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.4 | -21.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L608 Y609 F610 | L608-G612 PolarHBondContact O-N 3.36Å; Y609-G612 PolarHBondContact O-N 3.27Å; F610-G612 PolarHBondContact O-N 3.15Å |
| 613 | L | 88.4 | Confident | 91.2 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -100.5 | -49.6 | 178.7 | -70.4 | 177.4 | 0 | 0 | 0 | 112.9 | T567 Y609 F610 | T567-L613 HydrophobicContact CG2-CD1 4.02Å; Y609-L613 HydrophobicContact CD1-CD1 4.43Å; Y609-L613 HydrophobicContact CE1-CD1 3.82Å; Y609-L613 HydrophobicContact CE2-CD1 3.96Å; Y609-L613 PolarHBondContact O-N 2.79Å; F610-L613 PolarHBondContact O-N 2.7Å; F610-L613 VanDerWaalsContact O-N 3.07Å |
| 614 | H | 86 | Confident | 91.1 | Very high | 41 Ų | 41 | 80 Ų | 80 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -106.6 | -5 | -171.2 | -68.9 | -83.6 | 0 | 0 | 0 | 113.6 | T567 F610 | T567-H614 WeakPolarHBondContact CB-NE2 2.96Å; T567-H614 PolarHBondContact OG1-NE2 2.74Å; F610-H614 HydrophobicContact CD1-CB 4.2Å; F610-H614 HydrophobicContact CE1-CB 3.61Å; F610-H614 HydrophobicContact CE2-CB 4.16Å; F610-H614 AromaticContact CE2-CD2 3.74Å; F610-H614 HydrophobicContact CZ-CB 3.6Å; F610-H614 AromaticContact CZ-CG 3.89Å; F610-H614 PolarHBondContact O-N 3.2Å |
| 615 | G | 88.6 | Confident | 91 | Very high | 31 Ų | 31 | 78.3 Ų | 78.3 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | trans | 70 | -164.3 | -168 | 0 | 0 | 0 | 0 | 0 | 112.2 | E611 | E611-G615 WeakPolarHBondContact O-CA 3.28Å; E611-G615 PolarHBondContact O-N 3.22Å; E611-G615 VanDerWaalsContact O-N 3.08Å | ||
| 616 | R | 88.2 | Confident | 90.9 | Very high | 180 Ų | 180 | 72 Ų | 72 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.2 | 141.3 | 174.6 | -68 | -172.2 | 173.9 | -154.7 | -12.4 | 110.5 | E611 I618 | E611-R616 HydrophobicContact CG-CG 4.24Å; E611-R616 VanDerWaalsContact OE1-CG 3.26Å; E611-R616 WeakPolarHBondContact OE1-CG 3.35Å; E611-R616 IonicContact OE1-CZ 3.89Å; E611-R616 IonicContact OE1-NE 2.77Å; E611-R616 PolarHBondContact OE1-NE 3.29Å; E611-R616 IonicContact OE1-NH2 4Å; E611-R616 PolarHBondContact OE1-NH2 2.73Å; E611-R616 VanDerWaalsContact OE1-NH2 3.16Å; R616-I618 PolarHBondContact O-N 3.5Å |
| 617 | P | 87.1 | Confident | 90.9 | Very high | 21 Ų | 21 | 77.7 Ų | 77.7 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | trans | -56.8 | 88.3 | 174.7 | -33 | 41 | 0 | 0 | 0 | 114.6 | F610 Q622 R623 M626 Y630 | F610-P617 HydrophobicContact CD1-CG 4.33Å; F610-P617 HydrophobicContact CE1-CG 3.78Å; P617-Q622 HydrophobicContact CB-CB 3.87Å; P617-R623 HydrophobicContact CB-CG 3.95Å; P617-R623 WeakPolarHBondContact O-CG 3.49Å; P617-M626 HydrophobicContact CG-CB 4Å; P617-M626 HydrophobicContact CG-CG 3.89Å; P617-Y630 HydrophobicContact CG-CE2 4.1Å | ||
| 618 | I | 82.9 | Confident | 90.8 | Very high | 126 Ų | 126 | 80.5 Ų | 80.5 | 65% | 0.646 | 40% | 0.403 | S | S | * | . | trans | -89.6 | -37.2 | 179.5 | 52 | 171.6 | 0 | 0 | 0 | 112 | R616 R623 | R616-I618 PolarHBondContact O-N 3.5Å; I618-R623 PolarHBondContact O-NE 3.17Å; I618-R623 PolarHBondContact O-NH2 3.06Å | ||
| 619 | T | 88.6 | Confident | 90.8 | Very high | 64 Ų | 64 | 76 Ų | 76 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.2 | 157.2 | -179.6 | 80.8 | 0 | 0 | 0 | 0 | 111.9 | Q621 Q622 R623 | T619-Q621 VanDerWaalsContact C-N 3.3Å; T619-Q621 PolarHBondContact O-N 2.78Å; T619-Q622 PolarHBondContact O-N 2.93Å; T619-Q622 WeakPolarHBondContact OG1-CB 3.39Å; T619-Q622 VanDerWaalsContact OG1-CG 3.29Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.41Å; T619-Q622 PolarHBondContact OG1-N 3.47Å; T619-Q622 VanDerWaalsContact OG1-N 3.08Å; T619-R623 WeakPolarHBondContact O-CG 3.37Å; T619-R623 PolarHBondContact O-N 3.45Å |
| 620 | R | 88.1 | Confident | 90.9 | Very high | 216 Ų | 216 | 76.1 Ų | 76.1 | 82% | 0.815 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -41.4 | 175.7 | -174.3 | 177.8 | 177.6 | -175.7 | -1.2 | 111.4 | R623 T624 | R620-R623 PolarHBondContact O-N 2.85Å; R620-T624 PolarHBondContact O-N 3.21Å; R620-T624 PolarHBondContact O-OG1 3.48Å; R620-T624 VanDerWaalsContact O-OG1 3.1Å |
| 621 | Q | 88.4 | Confident | 91 | Very high | 109 Ų | 109 | 78.2 Ų | 78.2 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 177.8 | -171 | -177 | -2.8 | 0 | 0 | 111.8 | L564 T619 R623 T624 L625 | L564-Q621 HydrophobicContact CD2-CB 4.3Å; L564-Q621 HydrophobicContact CD2-CG 3.86Å; T619-Q621 VanDerWaalsContact C-N 3.3Å; T619-Q621 PolarHBondContact O-N 2.78Å; Q621-R623 VanDerWaalsContact C-N 3.28Å; Q621-R623 PolarHBondContact O-N 2.98Å; Q621-T624 PolarHBondContact O-N 3.14Å; Q621-L625 HydrophobicContact CG-CD1 3.85Å; Q621-L625 HydrophobicContact CG-CG 4.49Å; Q621-L625 WeakPolarHBondContact O-CG 3.46Å; Q621-L625 PolarHBondContact O-N 3.39Å |
| 622 | Q | 90.8 | Very high | 91 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 174.4 | -74.2 | 173.2 | -27.6 | 0 | 0 | 111.5 | L564 F610 P617 T619 M626 | L564-Q622 HydrophobicContact CD1-CG 3.79Å; L564-Q622 HydrophobicContact CD2-CB 4.37Å; L564-Q622 HydrophobicContact CD2-CG 3.65Å; L564-Q622 HydrophobicContact CG-CG 4.39Å; F610-Q622 HydrophobicContact CZ-CG 4.48Å; P617-Q622 HydrophobicContact CB-CB 3.87Å; T619-Q622 PolarHBondContact O-N 2.93Å; T619-Q622 WeakPolarHBondContact OG1-CB 3.39Å; T619-Q622 VanDerWaalsContact OG1-CG 3.29Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.41Å; T619-Q622 PolarHBondContact OG1-N 3.47Å; T619-Q622 VanDerWaalsContact OG1-N 3.08Å; Q622-M626 VanDerWaalsContact O-CB 3.3Å; Q622-M626 WeakPolarHBondContact O-CB 3.1Å; Q622-M626 PolarHBondContact O-N 2.9Å |
| 623 | R | 92 | Very high | 91.1 | Very high | 154 Ų | 154 | 77 Ų | 77 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 177.6 | -73.6 | -175.6 | -108.6 | 165 | -7.4 | 112.5 | P617 I618 T619 R620 Q621 K627 | P617-R623 HydrophobicContact CB-CG 3.95Å; P617-R623 WeakPolarHBondContact O-CG 3.49Å; I618-R623 PolarHBondContact O-NE 3.17Å; I618-R623 PolarHBondContact O-NH2 3.06Å; T619-R623 WeakPolarHBondContact O-CG 3.37Å; T619-R623 PolarHBondContact O-N 3.45Å; R620-R623 PolarHBondContact O-N 2.85Å; Q621-R623 VanDerWaalsContact C-N 3.28Å; Q621-R623 PolarHBondContact O-N 2.98Å; R623-K627 WeakPolarHBondContact O-CB 3.5Å; R623-K627 PolarHBondContact O-N 3.1Å |
| 624 | T | 93.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 80 Ų | 80 | 55% | 0.546 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | R620 Q621 K627 | R620-T624 PolarHBondContact O-N 3.21Å; R620-T624 PolarHBondContact O-OG1 3.48Å; R620-T624 VanDerWaalsContact O-OG1 3.1Å; Q621-T624 PolarHBondContact O-N 3.14Å; T624-K627 WeakPolarHBondContact O-CB 3.23Å; T624-K627 PolarHBondContact O-N 2.97Å |
| 625 | L | 93 | Very high | 91.8 | Very high | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.4 | -33.9 | -175.9 | -64.4 | 170.6 | 0 | 0 | 0 | 113.1 | L564 E565 V568 Q621 P628 F629 | L564-L625 HydrophobicContact CD2-CD1 3.76Å; L564-L625 HydrophobicContact CG-CD1 3.81Å; E565-L625 WeakPolarHBondContact OE1-CD2 3.44Å; E565-L625 WeakPolarHBondContact OE2-CD1 3.28Å; V568-L625 HydrophobicContact CG1-CB 4.45Å; V568-L625 HydrophobicContact CG2-CB 3.8Å; V568-L625 HydrophobicContact CG2-CD1 4.29Å; Q621-L625 HydrophobicContact CG-CD1 3.85Å; Q621-L625 HydrophobicContact CG-CG 4.49Å; Q621-L625 WeakPolarHBondContact O-CG 3.46Å; Q621-L625 PolarHBondContact O-N 3.39Å; L625-P628 WeakPolarHBondContact O-CD 3.43Å; L625-F629 WeakPolarHBondContact O-CE2 3.38Å |
| 626 | M | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -81.3 | -16.6 | 175.4 | -75.2 | -72.2 | 108.8 | 0 | 0 | 114 | V568 I571 L607 F610 P617 Q622 F629 Y630 | V568-M626 HydrophobicContact CB-CE 4.39Å; V568-M626 HydrophobicContact CG1-CE 4.49Å; V568-M626 HydrophobicContact CG2-CE 3.65Å; I571-M626 HydrophobicContact CD1-CE 4.32Å; L607-M626 HydrophobicContact CD2-SD 4.35Å; F610-M626 HydrophobicContact CB-SD 4.12Å; F610-M626 HydrophobicContact CD1-CG 4.11Å; F610-M626 HydrophobicContact CD1-SD 3.97Å; F610-M626 HydrophobicContact CD2-CE 3.62Å; F610-M626 HydrophobicContact CD2-CG 4.19Å; F610-M626 HydrophobicContact CD2-SD 3.6Å; F610-M626 HydrophobicContact CE1-CG 3.91Å; F610-M626 HydrophobicContact CE1-SD 4.34Å; F610-M626 HydrophobicContact CE2-CE 3.86Å; F610-M626 HydrophobicContact CE2-CG 3.96Å; F610-M626 HydrophobicContact CE2-SD 3.98Å; F610-M626 HydrophobicContact CG-CE 4.23Å; F610-M626 HydrophobicContact CG-CG 4.26Å; F610-M626 HydrophobicContact CG-SD 3.6Å; F610-M626 VanDerWaalsContact CG-SD 3.6Å; F610-M626 HydrophobicContact CZ-CG 3.82Å; F610-M626 HydrophobicContact CZ-SD 4.33Å; P617-M626 HydrophobicContact CG-CB 4Å; P617-M626 HydrophobicContact CG-CG 3.89Å; Q622-M626 VanDerWaalsContact O-CB 3.3Å; Q622-M626 WeakPolarHBondContact O-CB 3.1Å; Q622-M626 PolarHBondContact O-N 2.9Å; M626-F629 HydrophobicContact CE-CD2 3.67Å; M626-F629 HydrophobicContact CE-CE2 3.7Å; M626-F629 PolarHBondContact O-N 2.78Å; M626-F629 HydrophobicContact SD-CD2 4.15Å; M626-Y630 HydrophobicContact CB-CD2 3.98Å; M626-Y630 HydrophobicContact CB-CE2 3.68Å; M626-Y630 WeakPolarHBondContact O-CD2 3.43Å; M626-Y630 PolarHBondContact O-N 3.02Å |
| 627 | K | 93.6 | Very high | 92.4 | Very high | 127 Ų | 127 | 77.4 Ų | 77.4 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -47.7 | -53.4 | 179.2 | -178.4 | 176.5 | 175.8 | -173.3 | 0 | 114.2 | R623 T624 F629 Y630 D631 | R623-K627 WeakPolarHBondContact O-CB 3.5Å; R623-K627 PolarHBondContact O-N 3.1Å; T624-K627 WeakPolarHBondContact O-CB 3.23Å; T624-K627 PolarHBondContact O-N 2.97Å; K627-F629 VanDerWaalsContact C-N 3.26Å; K627-F629 PolarHBondContact O-N 3.21Å; K627-Y630 PolarHBondContact O-N 3.5Å; K627-Y630 VanDerWaalsContact O-N 3.16Å; K627-D631 WeakPolarHBondContact CE-OD2 3.4Å; K627-D631 WeakPolarHBondContact CG-OD2 3.43Å; K627-D631 WeakPolarHBondContact O-CB 3.46Å; K627-D631 PolarHBondContact O-N 2.84Å |
| 628 | P | 94.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -34 | -177.5 | 20.8 | -33.6 | 0 | 0 | 0 | 113.7 | L625 R632 | L625-P628 WeakPolarHBondContact O-CD 3.43Å; P628-R632 VanDerWaalsContact O-CB 3.23Å; P628-R632 WeakPolarHBondContact O-CB 3.48Å; P628-R632 PolarHBondContact O-N 3.32Å |
| 629 | F | 95 | Very high | 93.1 | Very high | 18 Ų | 18 | 79.3 Ų | 79.3 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.9 | -40.9 | 177.6 | -52.7 | -81.1 | 0 | 0 | 0 | 111.8 | V568 I571 T572 L575 M603 L607 L625 M626 K627 Y633 | V568-F629 HydrophobicContact CG1-CE2 4.02Å; V568-F629 HydrophobicContact CG1-CZ 4.25Å; I571-F629 HydrophobicContact CG2-CD1 3.97Å; I571-F629 HydrophobicContact CG2-CE1 3.68Å; I571-F629 HydrophobicContact CG2-CZ 4.13Å; T572-F629 WeakPolarHBondContact OG1-CZ 3.48Å; L575-F629 HydrophobicContact CD1-CD1 3.66Å; L575-F629 HydrophobicContact CD1-CE1 3.77Å; M603-F629 HydrophobicContact CE-CD1 4.42Å; M603-F629 HydrophobicContact SD-CB 3.78Å; M603-F629 HydrophobicContact SD-CD1 3.97Å; M603-F629 HydrophobicContact SD-CG 4.37Å; L607-F629 HydrophobicContact CD2-CB 3.81Å; L625-F629 WeakPolarHBondContact O-CE2 3.38Å; M626-F629 HydrophobicContact CE-CD2 3.67Å; M626-F629 HydrophobicContact CE-CE2 3.7Å; M626-F629 PolarHBondContact O-N 2.78Å; M626-F629 HydrophobicContact SD-CD2 4.15Å; K627-F629 VanDerWaalsContact C-N 3.26Å; K627-F629 PolarHBondContact O-N 3.21Å; F629-Y633 VanDerWaalsContact O-CB 3.22Å; F629-Y633 WeakPolarHBondContact O-CB 3.38Å; F629-Y633 PolarHBondContact O-N 3.04Å |
| 630 | Y | 95.4 | Very high | 93.2 | Very high | 84 Ų | 84 | 77.3 Ų | 77.3 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 174.6 | -71 | -60.2 | 0 | 0 | 0 | 113.2 | L607 P617 M626 K627 Y633 R634 | L607-Y630 HydrophobicContact CD1-CD1 3.98Å; L607-Y630 HydrophobicContact CD1-CE1 4.01Å; L607-Y630 HydrophobicContact CD2-CD1 4.03Å; L607-Y630 HydrophobicContact CD2-CE1 3.73Å; L607-Y630 HydrophobicContact CD2-CE2 4.44Å; L607-Y630 HydrophobicContact CD2-CG 4.49Å; L607-Y630 HydrophobicContact CG-CE1 4.4Å; P617-Y630 HydrophobicContact CG-CE2 4.1Å; M626-Y630 HydrophobicContact CB-CD2 3.98Å; M626-Y630 HydrophobicContact CB-CE2 3.68Å; M626-Y630 WeakPolarHBondContact O-CD2 3.43Å; M626-Y630 PolarHBondContact O-N 3.02Å; K627-Y630 PolarHBondContact O-N 3.5Å; K627-Y630 VanDerWaalsContact O-N 3.16Å; Y630-Y633 PolarHBondContact O-N 3.3Å; Y630-R634 WeakPolarHBondContact O-CB 3.28Å; Y630-R634 PolarHBondContact O-N 3.44Å |
| 631 | D | 95.3 | Very high | 93 | Very high | 43 Ų | 43 | 70.3 Ų | 70.3 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.6 | -45 | 175.8 | -75.6 | -25.2 | 0 | 0 | 0 | 110.5 | K627 Y633 R634 L635 | K627-D631 WeakPolarHBondContact CE-OD2 3.4Å; K627-D631 WeakPolarHBondContact CG-OD2 3.43Å; K627-D631 WeakPolarHBondContact O-CB 3.46Å; K627-D631 PolarHBondContact O-N 2.84Å; D631-Y633 PolarHBondContact O-N 2.99Å; D631-R634 PolarHBondContact O-N 2.92Å; D631-R634 IonicContact OD1-CZ 3.15Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.84Å; D631-R634 IonicContact OD1-NH2 2.63Å; D631-R634 PolarHBondContact OD1-NH2 3.43Å; D631-L635 WeakPolarHBondContact O-CG 3.2Å; D631-L635 PolarHBondContact O-N 3.17Å |
| 632 | R | 93.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 172.5 | -174.3 | 157.4 | 179.9 | 124.5 | 2 | 111.9 | D586 I588 E599 M603 P628 R634 L635 L636 | D586-R632 VanDerWaalsContact O-CZ 3.3Å; D586-R632 PolarHBondContact O-NH1 3.45Å; D586-R632 PolarHBondContact O-NH2 3.31Å; I588-R632 HydrophobicContact CD1-CG 3.79Å; I588-R632 HydrophobicContact CG1-CG 4.44Å; E599-R632 IonicContact OE1-CZ 3.67Å; E599-R632 IonicContact OE1-NE 3.33Å; E599-R632 PolarHBondContact OE1-NE 2.92Å; E599-R632 IonicContact OE1-NH2 2.78Å; E599-R632 PolarHBondContact OE1-NH2 2.89Å; E599-R632 VanDerWaalsContact OE1-NH2 3.16Å; M603-R632 HydrophobicContact CE-CB 4.23Å; M603-R632 HydrophobicContact CE-CG 3.92Å; P628-R632 VanDerWaalsContact O-CB 3.23Å; P628-R632 WeakPolarHBondContact O-CB 3.48Å; P628-R632 PolarHBondContact O-N 3.32Å; R632-R634 PolarHBondContact O-N 3.44Å; R632-L635 PolarHBondContact O-N 3.43Å; R632-L636 HydrophobicContact CG-CD1 4.03Å; R632-L636 WeakPolarHBondContact O-CD1 3.49Å; R632-L636 WeakPolarHBondContact O-CG 3.47Å; R632-L636 PolarHBondContact O-N 3.32Å |
| 633 | Y | 95.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.3 | 179.1 | -115.7 | 0 | 0 | 0 | 113.3 | K600 M603 Q604 L607 F629 Y630 D631 L636 K637 | K600-Y633 HydrophobicContact CG-CD2 4.44Å; K600-Y633 HydrophobicContact CG-CE2 3.98Å; M603-Y633 HydrophobicContact CG-CD2 4.31Å; M603-Y633 HydrophobicContact CG-CG 4.44Å; Q604-Y633 HydrophobicContact CG-CD2 4.22Å; Q604-Y633 HydrophobicContact CG-CE2 3.46Å; Q604-Y633 VanDerWaalsContact CG-CE2 3.46Å; Q604-Y633 PolarHBondContact NE2-OH 2.94Å; L607-Y633 HydrophobicContact CD1-CD1 4.34Å; L607-Y633 HydrophobicContact CD1-CG 4.13Å; F629-Y633 VanDerWaalsContact O-CB 3.22Å; F629-Y633 WeakPolarHBondContact O-CB 3.38Å; F629-Y633 PolarHBondContact O-N 3.04Å; Y630-Y633 PolarHBondContact O-N 3.3Å; D631-Y633 PolarHBondContact O-N 2.99Å; Y633-L636 PolarHBondContact O-N 3.3Å; Y633-K637 WeakPolarHBondContact O-CB 3.38Å; Y633-K637 PolarHBondContact O-N 3.03Å |
| 634 | R | 95.4 | Very high | 89.4 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.2 | -173 | 173.7 | 67 | -104.3 | -6 | 111.2 | Y630 D631 R632 K637 Q638 | Y630-R634 WeakPolarHBondContact O-CB 3.28Å; Y630-R634 PolarHBondContact O-N 3.44Å; D631-R634 PolarHBondContact O-N 2.92Å; D631-R634 IonicContact OD1-CZ 3.15Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.84Å; D631-R634 IonicContact OD1-NH2 2.63Å; D631-R634 PolarHBondContact OD1-NH2 3.43Å; R632-R634 PolarHBondContact O-N 3.44Å; R634-K637 PolarHBondContact O-N 3.16Å; R634-Q638 WeakPolarHBondContact O-CB 3.5Å; R634-Q638 PolarHBondContact O-N 3.25Å |
| 635 | L | 93.6 | Very high | 87.4 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 174.3 | -69.7 | 169.5 | 0 | 0 | 0 | 111.7 | I588 D631 R632 K637 Q638 L639 | I588-L635 HydrophobicContact CD1-CB 4.29Å; I588-L635 HydrophobicContact CD1-CD1 4.01Å; D631-L635 WeakPolarHBondContact O-CG 3.2Å; D631-L635 PolarHBondContact O-N 3.17Å; R632-L635 PolarHBondContact O-N 3.43Å; L635-K637 VanDerWaalsContact C-N 3.34Å; L635-K637 PolarHBondContact O-N 2.96Å; L635-Q638 PolarHBondContact O-N 3.37Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.13Å |
| 636 | L | 94.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.3 | -69.7 | 159.6 | 0 | 0 | 0 | 111.9 | I588 L596 E599 K600 R632 Y633 L640 | I588-L636 HydrophobicContact CG2-CD2 3.95Å; I588-L636 HydrophobicContact CG2-CG 4.47Å; L596-L636 HydrophobicContact CB-CD2 4.46Å; L596-L636 HydrophobicContact CD2-CD2 3.65Å; E599-L636 HydrophobicContact CB-CD2 4.2Å; E599-L636 HydrophobicContact CG-CD1 3.62Å; E599-L636 HydrophobicContact CG-CD2 3.76Å; E599-L636 HydrophobicContact CG-CG 4.35Å; K600-L636 HydrophobicContact CB-CB 4.31Å; R632-L636 HydrophobicContact CG-CD1 4.03Å; R632-L636 WeakPolarHBondContact O-CD1 3.49Å; R632-L636 WeakPolarHBondContact O-CG 3.47Å; R632-L636 PolarHBondContact O-N 3.32Å; Y633-L636 PolarHBondContact O-N 3.3Å; L636-L640 WeakPolarHBondContact O-CB 3.41Å; L636-L640 WeakPolarHBondContact O-CD1 3.11Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.27Å; L636-L640 PolarHBondContact O-N 2.66Å |
| 637 | K | 93.4 | Very high | 82.9 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.5 | -171.1 | -166.7 | 173.2 | -165 | 0 | 111.3 | Y633 R634 L635 S641 | Y633-K637 WeakPolarHBondContact O-CB 3.38Å; Y633-K637 PolarHBondContact O-N 3.03Å; R634-K637 PolarHBondContact O-N 3.16Å; L635-K637 VanDerWaalsContact C-N 3.34Å; L635-K637 PolarHBondContact O-N 2.96Å; K637-S641 PolarHBondContact O-N 2.71Å; K637-S641 VanDerWaalsContact O-N 3.14Å; K637-S641 PolarHBondContact O-OG 3.14Å |
| 638 | Q | 93.4 | Very high | 80.5 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -52 | -179 | -178.4 | 175.8 | -15.2 | 0 | 0 | 111.5 | R634 L635 L640 S641 S642 | R634-Q638 WeakPolarHBondContact O-CB 3.5Å; R634-Q638 PolarHBondContact O-N 3.25Å; L635-Q638 PolarHBondContact O-N 3.37Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; Q638-L640 PolarHBondContact O-N 3.48Å; Q638-S641 CarbonylContact O-C 3.48Å; Q638-S641 WeakPolarHBondContact O-CA 3.2Å; Q638-S641 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-OG 3.08Å |
| 639 | L | 90.9 | Very high | 77.7 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | -178.9 | -68.1 | 169.6 | 0 | 0 | 0 | 112.4 | I588 L596 L635 S641 S642 A643 | I588-L639 HydrophobicContact CG2-CD1 3.66Å; L596-L639 HydrophobicContact CD1-CB 4.18Å; L596-L639 HydrophobicContact CD2-CD1 4.21Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.13Å; L639-S641 VanDerWaalsContact C-N 3.26Å; L639-S641 PolarHBondContact O-N 3.04Å; L639-S642 PolarHBondContact O-N 3.18Å; L639-A643 WeakPolarHBondContact O-CB 3.36Å; L639-A643 PolarHBondContact O-N 3.19Å |
| 640 | L | 90.8 | Very high | 75 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 12% | 0.12 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69 | -19.9 | 175.6 | -68.8 | 168.9 | 0 | 0 | 0 | 113.6 | H593 L596 K600 L636 Q638 | H593-L640 WeakPolarHBondContact NE2-CD2 3.27Å; L596-L640 HydrophobicContact CB-CD1 4.38Å; L596-L640 HydrophobicContact CB-CD2 3.77Å; L596-L640 HydrophobicContact CB-CG 4.08Å; K600-L640 HydrophobicContact CB-CD1 4.16Å; K600-L640 HydrophobicContact CD-CD1 3.39Å; K600-L640 HydrophobicContact CG-CD1 4.41Å; L636-L640 WeakPolarHBondContact O-CB 3.41Å; L636-L640 WeakPolarHBondContact O-CD1 3.11Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.27Å; L636-L640 PolarHBondContact O-N 2.66Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; Q638-L640 PolarHBondContact O-N 3.48Å |
| 641 | S | 84.6 | Confident | 72.4 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -87 | -37.8 | 170.8 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | K637 Q638 L639 S644 T645 | K637-S641 PolarHBondContact O-N 2.71Å; K637-S641 VanDerWaalsContact O-N 3.14Å; K637-S641 PolarHBondContact O-OG 3.14Å; Q638-S641 CarbonylContact O-C 3.48Å; Q638-S641 WeakPolarHBondContact O-CA 3.2Å; Q638-S641 PolarHBondContact O-N 3.22Å; L639-S641 VanDerWaalsContact C-N 3.26Å; L639-S641 PolarHBondContact O-N 3.04Å; S641-S644 WeakPolarHBondContact O-CB 3.35Å; S641-S644 PolarHBondContact O-N 3.11Å; S641-S644 VanDerWaalsContact O-N 3.15Å; S641-T645 PolarHBondContact O-N 2.83Å; S641-T645 PolarHBondContact O-OG1 3.35Å |
| 642 | S | 76.1 | Confident | 70 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 175.8 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | Q638 L639 S644 T645 A646 | Q638-S642 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-OG 3.08Å; L639-S642 PolarHBondContact O-N 3.18Å; S642-S644 PolarHBondContact O-N 3.38Å; S642-T645 WeakPolarHBondContact CA-OG1 3.45Å; S642-T645 PolarHBondContact O-N 3.41Å; S642-T645 PolarHBondContact O-OG1 2.97Å; S642-A646 PolarHBondContact O-N 2.85Å |
| 643 | A | 63.1 | Low | 67.6 | Low | 50 Ų | 50 | 97.9 Ų | 97.9 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L639 | L639-A643 WeakPolarHBondContact O-CB 3.36Å; L639-A643 PolarHBondContact O-N 3.19Å |
| 644 | S | 55.6 | Low | 65.1 | Low | 89 Ų | 89 | 104 Ų | 104 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -10.4 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 114.1 | S641 S642 | S641-S644 WeakPolarHBondContact O-CB 3.35Å; S641-S644 PolarHBondContact O-N 3.11Å; S641-S644 VanDerWaalsContact O-N 3.15Å; S642-S644 PolarHBondContact O-N 3.38Å |
| 645 | T | 53.6 | Low | 62.8 | Low | 94 Ų | 94 | 107 Ų | 107 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -26.5 | 177.3 | 16.3 | 0 | 0 | 0 | 0 | 112.4 | S641 S642 A647 I648 | S641-T645 PolarHBondContact O-N 2.83Å; S641-T645 PolarHBondContact O-OG1 3.35Å; S642-T645 WeakPolarHBondContact CA-OG1 3.45Å; S642-T645 PolarHBondContact O-N 3.41Å; S642-T645 PolarHBondContact O-OG1 2.97Å; T645-A647 PolarHBondContact O-N 2.93Å; T645-A647 VanDerWaalsContact O-N 3.07Å; T645-I648 PolarHBondContact O-N 3.36Å |
| 646 | A | 51.8 | Low | 59.8 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -5.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | S642 | S642-A646 PolarHBondContact O-N 2.85Š|
| 647 | A | 41.8 | Very low | 57.4 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 2.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | T645 | T645-A647 PolarHBondContact O-N 2.93Å; T645-A647 VanDerWaalsContact O-N 3.07Å |
| 648 | I | 43.1 | Very low | 54.7 | Low | 141 Ų | 141 | 113.8 Ų | 113.8 | 72% | 0.723 | 66% | 0.663 | S | S | * | * | trans | -129.6 | 74.2 | -178 | -47.7 | 179.1 | 0 | 0 | 0 | 109.6 | T645 | T645-I648 PolarHBondContact O-N 3.36Š| ||
| 649 | T | 35.2 | Very low | 52.1 | Low | 121 Ų | 121 | 116 Ų | 116 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | trans | -136.6 | 58.3 | 173 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 650 | T | 38.3 | Very low | 49.4 | Very low | 131 Ų | 131 | 118 Ų | 118 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -140.2 | 81.2 | 165.3 | 53.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 651 | I | 40.4 | Very low | 46.6 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -164.7 | 132 | 147.3 | -93.2 | 143.8 | 0 | 0 | 0 | 104.6 | E653 | I651-E653 HydrophobicContact CG2-CG 4.1Š| ||
| 652 | E | 43.8 | Very low | 43.8 | Very low | 196 Ų | 196 | 129 Ų | 129 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | trans | -94 | 125.5 | 174 | -62.7 | 168.4 | 136.2 | 0 | 0 | 107.7 | ||||
| 653 | E | 44.9 | Very low | 41.8 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -132.4 | 115.1 | 162 | -72 | -171.5 | 161.5 | 0 | 0 | 107.7 | I651 | I651-E653 HydrophobicContact CG2-CG 4.1Š| ||
| 654 | E | 42.6 | Very low | 40.4 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -107.6 | 154.3 | 173.9 | -177.2 | 173.7 | -151.6 | 0 | 0 | 108.5 | ||||
| 655 | E | 46.6 | Very low | 39.2 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | 67.8 | 133.9 | 171.2 | -158.2 | 169.4 | -126.4 | 0 | 0 | 116.1 | ||||
| 656 | G | 31 | Very low | 37.9 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | 168.6 | 143.3 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 657 | S | 44.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -167.2 | 147.9 | 160.7 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 658 | D | 37.4 | Very low | 36.2 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -98.1 | -166.5 | -176 | -150.1 | -22.1 | 0 | 0 | 0 | 112.5 | ||||
| 659 | E | 37.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 99.4 | 74.2 | 166 | -51.6 | -58.5 | 161.3 | 0 | 0 | 118.5 | ||||
| 660 | D | 35.4 | Very low | 35.2 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | 80.5 | 95.1 | 120.6 | -127 | 26 | 0 | 0 | 0 | 122.6 | |||||
| 661 | H | 31.9 | Very low | 35.2 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | 32.4 | 138.6 | 128.4 | -61.4 | 100.1 | 0 | 0 | 0 | 122.8 | |||||
| 662 | F | 25.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | -166.4 | 112.3 | 106.4 | -122.4 | -105.9 | 0 | 0 | 0 | 113.5 | |||||
| 663 | K | 34 | Very low | 33.7 | Very low | 147 Ų | 147 | 154 Ų | 154 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | 47.5 | 147.1 | 135 | -57.2 | -175.6 | -164.1 | 168.5 | 0 | 120.6 | ||||
| 664 | Q | 34.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 153.2 Ų | 153.2 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | cis | -165.7 | 145.3 | 16.3 | -135.7 | 164.4 | -89.6 | 0 | 0 | 112.8 | ||||
| 665 | Q | 30.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 57.8 | 154.9 | 147.2 | -79.5 | 164.1 | -27.9 | 0 | 0 | 120.4 | ||||
| 666 | S | 26.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -164.5 | 159.9 | -16.2 | -167 | 0 | 0 | 0 | 0 | 106 | ||||
| 667 | S | 26.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | -143.5 | 148 | 16.9 | -55.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 668 | R | 30 | Very low | 30.5 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | 42.9 | 120 | 80.3 | -148.4 | 167 | -173.1 | 165 | 3.5 | 111.5 | |||||
| 669 | E | 27.1 | Very low | 29.7 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | cis | -125.9 | 166.7 | 48.9 | -64.1 | 179.4 | 149.1 | 0 | 0 | 117.1 | ||||
| 670 | Q | 29.9 | Very low | 29.1 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -145.4 | 150.5 | 174.6 | -162 | -157.8 | 65.2 | 0 | 0 | 105.9 | ||||
| 671 | P | 38.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 153 Ų | 153 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | -151.8 | -176.1 | 107.5 | 42.4 | -25.4 | 0 | 0 | 0 | 112.1 | |||||
| 672 | L | 23.4 | Very low | 28.1 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -150.1 | 146.4 | -6 | -133.6 | 155.2 | 0 | 0 | 0 | 108.4 | ||||
| 673 | W | 30.2 | Very low | 28 | Very low | 218 Ų | 218 | 151.4 Ų | 151.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 147.7 | 167.9 | -93.1 | 43.4 | 0 | 0 | 0 | 112 | ||||
| 674 | L | 28.3 | Very low | 27.7 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -137.8 | 154.7 | 153.9 | -79.9 | -178.7 | 0 | 0 | 0 | 111.3 | ||||
| 675 | K | 27.8 | Very low | 27.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -96.7 | 155.7 | -165.4 | -65.3 | 179.6 | 174.7 | -177.4 | 0 | 114 | ||||
| 676 | T | 30.1 | Very low | 27.6 | Very low | 136 Ų | 136 | 149 Ų | 149 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -62.4 | 147.8 | 158.4 | -29.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 677 | P | 33.2 | Very low | 27.5 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -124.3 | 170.2 | 144.2 | 37.4 | -28.6 | 0 | 0 | 0 | 113.2 | ||||
| 678 | Q | 23 | Very low | 27.3 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -112.9 | 140.3 | -160.1 | 170.4 | -173.2 | -5.3 | 0 | 0 | 113.4 | ||||
| 679 | C | 20.7 | Very low | 27 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -163 | 108.1 | 166.3 | -162.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 680 | M | 23.8 | Very low | 27 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | 77.2 | 110.9 | 67.6 | -69.4 | -72.4 | 100.8 | 0 | 0 | 114.9 | |||||
| 681 | S | 22.5 | Very low | 27 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | 63 | 146.4 | 169.9 | -77.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 682 | S | 23.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -164.2 | -170.8 | -11.6 | -155 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 683 | E | 23.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -143.3 | 174.1 | 12.2 | -63.7 | -174.4 | 118.6 | 0 | 0 | 111.7 | ||||
| 684 | E | 28 | Very low | 26.6 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -139.5 | 179.7 | 166.7 | -128 | -142.7 | 107.2 | 0 | 0 | 106.3 | ||||
| 685 | P | 39.6 | Very low | 26.7 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 56% | 0.558 | 76% | 0.759 | S | S | * | * | cis | -142.3 | -160.1 | 12.7 | 26.6 | 2 | 0 | 0 | 0 | 115.5 | ||||
| 686 | Q | 24.1 | Very low | 26.8 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 90.5 | 141.3 | 154.2 | -49.7 | 176.7 | -18.3 | 0 | 0 | 117.3 | ||||
| 687 | F | 23.9 | Very low | 27.2 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -142.1 | 137.5 | 15.6 | -94.5 | -71.6 | 0 | 0 | 0 | 114.8 | ||||
| 688 | T | 23 | Very low | 27.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 32.1 | 151.7 | 140.8 | 56.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 689 | S | 23.2 | Very low | 27.8 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | -141.3 | 143.7 | 22.3 | 56 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 690 | S | 27.5 | Very low | 28.5 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 65.3 | 135.4 | 72.7 | -135.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 691 | V | 30.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | cis | -140.5 | 136.7 | 29.4 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 692 | E | 31.8 | Very low | 30.5 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | 68.7 | 149.4 | 74.6 | -110.3 | -179.5 | 149.7 | 0 | 0 | 114.4 | |||||
| 693 | T | 26.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | cis | -140 | 171.1 | 16 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 694 | S | 25.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -80.2 | -172.4 | 168.2 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 695 | E | 28.7 | Very low | 32.1 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | cis | -143.1 | -152.8 | 21.5 | -63.3 | -173.4 | -97.5 | 0 | 0 | 114.2 | ||||
| 696 | T | 30.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -127.6 | 165.4 | 176.1 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 697 | P | 38.4 | Very low | 32.2 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | -146.6 | 159.9 | 113.3 | 37.4 | -22.3 | 0 | 0 | 0 | 117.6 | |||||
| 698 | V | 36 | Very low | 32.8 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -39.2 | 132.1 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 699 | V | 32.6 | Very low | 33.4 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | -153.6 | 141.4 | 122.3 | 172.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 700 | S | 35.8 | Very low | 34.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -116 | 153 | 165.3 | -56 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 701 | P | 42.2 | Very low | 35.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -146.2 | 139.5 | 96.3 | 36.2 | -20 | 0 | 0 | 0 | 116.6 | |||||
| 702 | L | 46.2 | Very low | 36.3 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 33.5 | 107.4 | 136.4 | -170.8 | 67.3 | 0 | 0 | 0 | 120.3 | ||||
| 703 | D | 30.8 | Very low | 37.9 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -148.8 | 140.8 | 139.8 | -173.9 | 27 | 0 | 0 | 0 | 110.5 | G705 | D703-G705 PolarHBondContact O-N 2.93Š| ||
| 704 | E | 46.7 | Very low | 40.2 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 62% | 0.617 | 72% | 0.717 | S | S | * | * | trans | -98.2 | 69.3 | -170.8 | -71.5 | -160.8 | 175.9 | 0 | 0 | 113.7 | K706 | E704-K706 VanDerWaalsContact C-N 3.29Å; E704-K706 PolarHBondContact O-N 3.4Å; E704-K706 IonicContact OE2-NZ 2.68Å; E704-K706 PolarHBondContact OE2-NZ 3.49Å | ||
| 705 | G | 30.9 | Very low | 42.3 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | trans | -71.8 | 66.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D703 T707 | D703-G705 PolarHBondContact O-N 2.93Å; G705-T707 PolarHBondContact O-N 3.37Å | ||
| 706 | K | 39.6 | Very low | 44.2 | Very low | 148 Ų | 148 | 119.8 Ų | 119.8 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -63.2 | 85.6 | 179.5 | -69.3 | -174.4 | 171.9 | 90.4 | 0 | 113.3 | E704 F708 | E704-K706 VanDerWaalsContact C-N 3.29Å; E704-K706 PolarHBondContact O-N 3.4Å; E704-K706 IonicContact OE2-NZ 2.68Å; E704-K706 PolarHBondContact OE2-NZ 3.49Å; K706-F708 HydrophobicContact CB-CE2 4.45Å; K706-F708 PolarHBondContact O-N 3.45Å; K706-F708 VanDerWaalsContact O-N 3.1Å | ||
| 707 | T | 26.7 | Very low | 46.7 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -78.4 | 87 | 174 | 41.4 | 0 | 0 | 0 | 0 | 111.7 | G705 Q709 | G705-T707 PolarHBondContact O-N 3.37Å; T707-Q709 PolarHBondContact O-N 3.27Å | ||
| 708 | F | 37.1 | Very low | 48.8 | Very low | 190 Ų | 190 | 109.6 Ų | 109.6 | 83% | 0.833 | 63% | 0.627 | S | S | * | * | trans | -52.9 | 113 | 173.8 | -80.1 | -95.9 | 0 | 0 | 0 | 111.8 | K706 A710 | K706-F708 HydrophobicContact CB-CE2 4.45Å; K706-F708 PolarHBondContact O-N 3.45Å; K706-F708 VanDerWaalsContact O-N 3.1Å; F708-A710 PolarHBondContact O-N 3.16Å | ||
| 709 | Q | 34.8 | Very low | 50.9 | Low | 167 Ų | 167 | 109.1 Ų | 109.1 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | trans | -62.1 | 120.5 | 163.9 | -171.2 | -173.7 | 109.2 | 0 | 0 | 107.9 | T707 Q711 | T707-Q709 PolarHBondContact O-N 3.27Å; Q709-Q711 PolarHBondContact O-N 3.07Å | ||
| 710 | A | 40.7 | Very low | 53.3 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | trans | -73.9 | 89.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F708 V712 | F708-A710 PolarHBondContact O-N 3.16Å; A710-V712 PolarHBondContact O-N 3Å | ||
| 711 | Q | 47.4 | Very low | 55.6 | Low | 140 Ų | 140 | 104.1 Ų | 104.1 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | trans | -47.5 | 119.8 | 176.9 | -154.4 | 80 | -1.8 | 0 | 0 | 110.2 | Q709 I713 | Q709-Q711 PolarHBondContact O-N 3.07Å; Q711-I713 VanDerWaalsContact C-N 3.32Å; Q711-I713 HydrophobicContact CB-CG1 4.35Å; Q711-I713 HydrophobicContact CG-CG1 4.49Å; Q711-I713 PolarHBondContact O-N 3.02Å | ||
| 712 | V | 53.8 | Low | 57.8 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 78% | 0.782 | 55% | 0.551 | S | S | * | * | trans | -76.6 | 86.1 | -178.2 | -178 | 0 | 0 | 0 | 0 | 109.2 | A710 T714 | A710-V712 PolarHBondContact O-N 3Å; V712-T714 WeakPolarHBondContact O-CG2 3.17Å; V712-T714 PolarHBondContact O-N 2.89Å | ||
| 713 | I | 64.9 | Low | 59.9 | Low | 28 Ų | 28 | 97 Ų | 97 | 14% | 0.144 | 53% | 0.527 | C | S | . | . | trans | -72.9 | 114.2 | -173.3 | -70.2 | 161.7 | 0 | 0 | 0 | 110.8 | Q711 L718 A721 E725 | Q711-I713 VanDerWaalsContact C-N 3.32Å; Q711-I713 HydrophobicContact CB-CG1 4.35Å; Q711-I713 HydrophobicContact CG-CG1 4.49Å; Q711-I713 PolarHBondContact O-N 3.02Å; I713-L718 HydrophobicContact CG2-CD2 3.86Å; I713-L718 HydrophobicContact CG2-CG 4.44Å; I713-A721 HydrophobicContact CD1-CB 4.1Å; I713-A721 HydrophobicContact CG2-CB 4.21Å; I713-E725 HydrophobicContact CD1-CB 4.27Å; I713-E725 HydrophobicContact CD1-CG 4.08Å; I713-E725 WeakPolarHBondContact CD1-OE2 3.21Å | ||
| 714 | T | 75.3 | Confident | 62.7 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | trans | -97.3 | -177.8 | -175.6 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | V712 A716 T717 L718 | V712-T714 WeakPolarHBondContact O-CG2 3.17Å; V712-T714 PolarHBondContact O-N 2.89Å; T714-A716 PolarHBondContact O-N 3.43Å; T714-A716 PolarHBondContact OG1-N 3.01Å; T714-T717 PolarHBondContact N-OG1 3Å; T714-T717 PolarHBondContact O-N 3.03Å; T714-L718 PolarHBondContact O-N 2.67Å | ||
| 715 | M | 70.1 | Confident | 64.8 | Low | 98 Ų | 98 | 94.7 Ų | 94.7 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.1 | 173.5 | -64.9 | -59.5 | 88.3 | 0 | 0 | 113.7 | L718 K780 | M715-L718 HydrophobicContact CE-CD1 3.53Å; M715-L718 HydrophobicContact CE-CG 3.86Å; M715-L718 HydrophobicContact SD-CD1 4.05Å; M715-K780 HydrophobicContact CE-CD 3.43Å; M715-K780 VanDerWaalsContact CE-CD 3.43Å; M715-K780 HydrophobicContact CE-CG 3.89Å; M715-K780 HydrophobicContact SD-CB 4.28Å; M715-K780 HydrophobicContact SD-CD 3.83Å; M715-K780 HydrophobicContact SD-CG 3.87Å |
| 716 | A | 69.3 | Low | 67.7 | Low | 69 Ų | 69 | 91.8 Ų | 91.8 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -51.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T714 L718 H719 | T714-A716 PolarHBondContact O-N 3.43Å; T714-A716 PolarHBondContact OG1-N 3.01Å; A716-L718 VanDerWaalsContact C-N 3.32Å; A716-L718 PolarHBondContact O-N 2.89Å; A716-H719 PolarHBondContact O-CE1 3.36Å; A716-H719 PolarHBondContact O-ND1 2.99Å |
| 717 | T | 81.3 | Confident | 70.2 | Confident | 39 Ų | 39 | 88 Ų | 88 | 24% | 0.239 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -83.8 | 1.8 | -171.1 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | T714 H719 E720 A721 | T714-T717 PolarHBondContact N-OG1 3Å; T714-T717 PolarHBondContact O-N 3.03Å; T717-H719 PolarHBondContact O-N 2.83Å; T717-H719 VanDerWaalsContact O-N 3.1Å; T717-E720 WeakPolarHBondContact CB-OE2 3.28Å; T717-E720 VanDerWaalsContact CG2-OE2 3.31Å; T717-E720 WeakPolarHBondContact CG2-OE2 3.3Å; T717-E720 PolarHBondContact O-N 3.25Å; T717-E720 VanDerWaalsContact O-N 3.15Å; T717-A721 PolarHBondContact O-N 3.14Å |
| 718 | L | 81.8 | Confident | 73.4 | Confident | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.01 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -57.1 | -23.7 | 173.9 | -92.8 | -169 | 0 | 0 | 0 | 114.7 | I713 T714 M715 A716 L726 K780 L783 L784 L787 | I713-L718 HydrophobicContact CG2-CD2 3.86Å; I713-L718 HydrophobicContact CG2-CG 4.44Å; T714-L718 PolarHBondContact O-N 2.67Å; M715-L718 HydrophobicContact CE-CD1 3.53Å; M715-L718 HydrophobicContact CE-CG 3.86Å; M715-L718 HydrophobicContact SD-CD1 4.05Å; A716-L718 VanDerWaalsContact C-N 3.32Å; A716-L718 PolarHBondContact O-N 2.89Å; L718-L726 HydrophobicContact CD2-CD1 4.3Å; L718-K780 HydrophobicContact CD1-CG 4.45Å; L718-L783 HydrophobicContact CD1-CD2 3.88Å; L718-L783 HydrophobicContact CD1-CG 4.29Å; L718-L784 HydrophobicContact CD1-CD2 3.83Å; L718-L784 HydrophobicContact CD1-CG 4.24Å; L718-L784 HydrophobicContact CD2-CD2 3.56Å; L718-L784 HydrophobicContact CG-CD2 4.35Å; L718-L787 HydrophobicContact CB-CD1 4.16Å |
| 719 | H | 80.1 | Confident | 76 | Confident | 125 Ų | 125 | 75.1 Ų | 75.1 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -84.9 | -19.6 | -178.6 | 77.5 | -71.5 | 0 | 0 | 0 | 113.6 | A716 T717 L787 | A716-H719 PolarHBondContact O-CE1 3.36Å; A716-H719 PolarHBondContact O-ND1 2.99Å; T717-H719 PolarHBondContact O-N 2.83Å; T717-H719 VanDerWaalsContact O-N 3.1Å; H719-L787 HydrophobicContact CB-CD2 4.42Å |
| 720 | E | 83.1 | Confident | 78.8 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23 | 173.8 | -64.2 | 146.4 | -152.7 | 0 | 0 | 111.6 | T717 | T717-E720 WeakPolarHBondContact CB-OE2 3.28Å; T717-E720 VanDerWaalsContact CG2-OE2 3.31Å; T717-E720 WeakPolarHBondContact CG2-OE2 3.3Å; T717-E720 PolarHBondContact O-N 3.25Å; T717-E720 VanDerWaalsContact O-N 3.15Å |
| 721 | A | 84.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -59.2 | 137.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I713 T717 E725 Q791 | I713-A721 HydrophobicContact CD1-CB 4.1Å; I713-A721 HydrophobicContact CG2-CB 4.21Å; T717-A721 PolarHBondContact O-N 3.14Å; A721-E725 WeakPolarHBondContact CA-OE2 3.29Å; A721-E725 HydrophobicContact CB-CB 4.21Å; A721-Q791 PolarHBondContact O-NE2 3.02Å |
| 722 | S | 88.9 | Confident | 83.7 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | trans | -63.3 | 156.7 | -179 | 82.8 | 0 | 0 | 0 | 0 | 111.7 | Q724 E725 L726 | S722-Q724 PolarHBondContact O-N 3.43Å; S722-Q724 PolarHBondContact OG-N 3.4Å; S722-E725 WeakPolarHBondContact CB-OE1 3.49Å; S722-E725 PolarHBondContact N-OE2 3.34Å; S722-E725 PolarHBondContact O-N 2.97Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 PolarHBondContact OG-N 3.21Å; S722-E725 PolarHBondContact OG-OE1 2.96Å; S722-L726 WeakPolarHBondContact O-CB 3.47Å; S722-L726 PolarHBondContact O-N 3.37Å | ||
| 723 | R | 89.8 | Confident | 85.7 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.9 | -27.4 | 178.9 | -173.1 | 168.3 | -174 | -24.3 | 3.9 | 113.2 | L727 L788 Q791 D792 | R723-L727 VanDerWaalsContact NH1-CD1 3.33Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.21Å; R723-L788 HydrophobicContact CG-CD2 4.27Å; R723-Q791 VanDerWaalsContact CA-OE1 3.25Å; R723-D792 IonicContact CZ-OD1 2.57Å; R723-D792 IonicContact CZ-OD2 3.13Å; R723-D792 IonicContact NE-OD1 2.79Å; R723-D792 PolarHBondContact NE-OD1 2.95Å; R723-D792 IonicContact NE-OD2 2.74Å; R723-D792 IonicContact NH2-OD1 3.15Å; R723-D792 PolarHBondContact NH2-OD1 3.34Å; R723-D792 IonicContact NH2-OD2 2.71Å; R723-D792 PolarHBondContact NH2-OD2 2.9Å |
| 724 | Q | 90 | Very high | 87.2 | Confident | 157 Ų | 157 | 69.2 Ų | 69.2 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -79 | -42.9 | 177.4 | -177.3 | 163.4 | -39.7 | 0 | 0 | 112.3 | S722 L726 L727 G728 | S722-Q724 PolarHBondContact O-N 3.43Å; S722-Q724 PolarHBondContact OG-N 3.4Å; Q724-L726 VanDerWaalsContact C-N 3.3Å; Q724-L726 PolarHBondContact O-N 3.3Å; Q724-L727 PolarHBondContact O-N 3.32Å; Q724-G728 PolarHBondContact O-N 3.14Å |
| 725 | E | 90.1 | Very high | 88.3 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 170 | -72.9 | 134.9 | -121.8 | 0 | 0 | 111.2 | I713 A721 S722 L727 G728 H729 | I713-E725 HydrophobicContact CD1-CB 4.27Å; I713-E725 HydrophobicContact CD1-CG 4.08Å; I713-E725 WeakPolarHBondContact CD1-OE2 3.21Å; A721-E725 WeakPolarHBondContact CA-OE2 3.29Å; A721-E725 HydrophobicContact CB-CB 4.21Å; S722-E725 WeakPolarHBondContact CB-OE1 3.49Å; S722-E725 PolarHBondContact N-OE2 3.34Å; S722-E725 PolarHBondContact O-N 2.97Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 PolarHBondContact OG-N 3.21Å; S722-E725 PolarHBondContact OG-OE1 2.96Å; E725-L727 VanDerWaalsContact C-N 3.33Å; E725-L727 PolarHBondContact O-N 2.92Å; E725-G728 CarbonylContact O-C 3.57Å; E725-G728 VanDerWaalsContact O-CA 3.32Å; E725-G728 WeakPolarHBondContact O-CA 3.49Å; E725-G728 PolarHBondContact O-N 2.9Å; E725-H729 PolarHBondContact O-N 3.49Å; E725-H729 PolarHBondContact O-ND1 3.41Å |
| 726 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | -178.9 | -159.9 | 68.8 | 0 | 0 | 0 | 111.6 | L718 S722 Q724 L730 L784 L787 L788 | L718-L726 HydrophobicContact CD2-CD1 4.3Å; S722-L726 WeakPolarHBondContact O-CB 3.47Å; S722-L726 PolarHBondContact O-N 3.37Å; Q724-L726 VanDerWaalsContact C-N 3.3Å; Q724-L726 PolarHBondContact O-N 3.3Å; L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 PolarHBondContact O-N 3.42Å; L726-L784 HydrophobicContact CD1-CD2 3.47Å; L726-L784 VanDerWaalsContact CD1-CD2 3.47Å; L726-L784 HydrophobicContact CG-CD2 4.21Å; L726-L787 HydrophobicContact CD1-CB 4.21Å; L726-L787 HydrophobicContact CD1-CD1 4.15Å; L726-L787 HydrophobicContact CD2-CB 3.69Å; L726-L787 HydrophobicContact CG-CB 4.5Å; L726-L788 HydrophobicContact CB-CD2 4.08Å; L726-L788 HydrophobicContact CD2-CB 4.41Å; L726-L788 HydrophobicContact CD2-CD2 3.71Å; L726-L788 HydrophobicContact CD2-CG 3.62Å; L726-L788 HydrophobicContact CG-CD2 3.96Å; L726-L788 HydrophobicContact CG-CG 3.87Å |
| 727 | L | 92.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -33.4 | 167.9 | -74.6 | 177.8 | 0 | 0 | 0 | 113.5 | R723 Q724 E725 R731 L788 | R723-L727 VanDerWaalsContact NH1-CD1 3.33Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.21Å; Q724-L727 PolarHBondContact O-N 3.32Å; E725-L727 VanDerWaalsContact C-N 3.33Å; E725-L727 PolarHBondContact O-N 2.92Å; L727-R731 WeakPolarHBondContact O-CG 3.49Å; L727-R731 PolarHBondContact O-N 2.75Å; L727-R731 VanDerWaalsContact O-N 3.12Å; L727-R731 PolarHBondContact O-NE 3.3Å; L727-L788 HydrophobicContact CD2-CD1 4.02Å; L727-L788 HydrophobicContact CD2-CD2 3.87Å; L727-L788 HydrophobicContact CG-CD2 3.96Å |
| 728 | G | 92.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -54 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q724 E725 L730 R731 M732 | Q724-G728 PolarHBondContact O-N 3.14Å; E725-G728 CarbonylContact O-C 3.57Å; E725-G728 VanDerWaalsContact O-CA 3.32Å; E725-G728 WeakPolarHBondContact O-CA 3.49Å; E725-G728 PolarHBondContact O-N 2.9Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 2.84Å; G728-R731 PolarHBondContact O-N 3.36Å; G728-R731 VanDerWaalsContact O-N 3.14Å; G728-M732 WeakPolarHBondContact O-CG 3.48Å; G728-M732 PolarHBondContact O-N 2.75Å |
| 729 | H | 92.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 78.3 Ų | 78.3 | 18% | 0.181 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 174.6 | -68.3 | 116.2 | 0 | 0 | 0 | 112.3 | E725 R731 M732 V733 L784 | E725-H729 PolarHBondContact O-N 3.49Å; E725-H729 PolarHBondContact O-ND1 3.41Å; H729-R731 VanDerWaalsContact C-N 3.33Å; H729-R731 PolarHBondContact O-N 2.91Å; H729-M732 PolarHBondContact O-N 3.37Å; H729-V733 WeakPolarHBondContact O-CB 3.32Å; H729-V733 WeakPolarHBondContact O-CG2 3.49Å; H729-V733 PolarHBondContact O-N 3.16Å; H729-L784 HydrophobicContact CB-CD1 4.01Å; H729-L784 HydrophobicContact CB-CD2 3.74Å |
| 730 | L | 94.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.2 | -173.3 | 69.8 | 0 | 0 | 0 | 111.7 | L726 G728 R734 L781 L784 E785 L788 | L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 PolarHBondContact O-N 3.42Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 2.84Å; L730-R734 VanDerWaalsContact O-CB 3.28Å; L730-R734 WeakPolarHBondContact O-CB 3.46Å; L730-R734 WeakPolarHBondContact O-CG 3.47Å; L730-R734 PolarHBondContact O-N 3.46Å; L730-L781 HydrophobicContact CD1-CD2 3.92Å; L730-L784 HydrophobicContact CD1-CB 4.04Å; L730-E785 HydrophobicContact CD1-CG 3.65Å; L730-L788 HydrophobicContact CB-CD1 4.39Å; L730-L788 HydrophobicContact CD2-CD1 3.7Å; L730-L788 HydrophobicContact CG-CD1 4.48Å |
| 731 | R | 96.8 | Very high | 93.9 | Very high | 173 Ų | 173 | 70.6 Ų | 70.6 | 65% | 0.653 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 176.2 | -73.5 | 179.8 | -73.3 | -179.1 | -0 | 111.8 | L727 G728 H729 R734 L735 | L727-R731 WeakPolarHBondContact O-CG 3.49Å; L727-R731 PolarHBondContact O-N 2.75Å; L727-R731 VanDerWaalsContact O-N 3.12Å; L727-R731 PolarHBondContact O-NE 3.3Å; G728-R731 PolarHBondContact O-N 3.36Å; G728-R731 VanDerWaalsContact O-N 3.14Å; H729-R731 VanDerWaalsContact C-N 3.33Å; H729-R731 PolarHBondContact O-N 2.91Å; R731-R734 PolarHBondContact O-N 3.39Å; R731-L735 PolarHBondContact O-N 2.81Å |
| 732 | M | 93.3 | Very high | 94.6 | Very high | 125 Ų | 125 | 75.9 Ų | 75.9 | 62% | 0.616 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | -179.9 | -67.2 | -55.5 | -67.5 | 0 | 0 | 112.8 | G728 H729 L735 E736 | G728-M732 WeakPolarHBondContact O-CG 3.48Å; G728-M732 PolarHBondContact O-N 2.75Å; H729-M732 PolarHBondContact O-N 3.37Å; M732-L735 WeakPolarHBondContact O-CB 3.43Å; M732-L735 PolarHBondContact O-N 2.97Å; M732-E736 PolarHBondContact O-N 3.09Å |
| 733 | V | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | H729 L735 K737 L777 K780 L781 L784 | H729-V733 WeakPolarHBondContact O-CB 3.32Å; H729-V733 WeakPolarHBondContact O-CG2 3.49Å; H729-V733 PolarHBondContact O-N 3.16Å; V733-L735 VanDerWaalsContact C-N 3.33Å; V733-K737 WeakPolarHBondContact O-CB 3.2Å; V733-K737 PolarHBondContact O-N 2.88Å; V733-L777 HydrophobicContact CG1-CB 4.2Å; V733-L777 HydrophobicContact CG1-CD2 3.86Å; V733-K780 HydrophobicContact CG1-CB 4.21Å; V733-K780 HydrophobicContact CG1-CD 4.35Å; V733-K780 HydrophobicContact CG1-CG 4.22Å; V733-K780 HydrophobicContact CG2-CD 3.5Å; V733-K780 HydrophobicContact CG2-CG 3.9Å; V733-L781 HydrophobicContact CB-CD2 3.73Å; V733-L781 HydrophobicContact CB-CG 4.46Å; V733-L781 HydrophobicContact CG1-CD2 3.44Å; V733-L781 VanDerWaalsContact CG1-CD2 3.44Å; V733-L781 HydrophobicContact CG1-CG 3.63Å; V733-L784 HydrophobicContact CB-CD1 4.25Å; V733-L784 HydrophobicContact CG2-CD1 3.92Å |
| 734 | R | 97.1 | Very high | 95.4 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 171.8 | -75.9 | 178.2 | 176.9 | -178.7 | -1.8 | 111.8 | L730 R731 R738 L781 E785 | L730-R734 VanDerWaalsContact O-CB 3.28Å; L730-R734 WeakPolarHBondContact O-CB 3.46Å; L730-R734 WeakPolarHBondContact O-CG 3.47Å; L730-R734 PolarHBondContact O-N 3.46Å; R731-R734 PolarHBondContact O-N 3.39Å; R734-R738 WeakPolarHBondContact O-CG 3.36Å; R734-R738 PolarHBondContact O-N 3.15Å; R734-L781 HydrophobicContact CB-CD2 4.48Å; R734-L781 HydrophobicContact CG-CD1 4.28Å; R734-L781 HydrophobicContact CG-CD2 3.56Å; R734-E785 IonicContact CZ-OE1 3.67Å; R734-E785 IonicContact NE-OE1 2.76Å; R734-E785 PolarHBondContact NE-OE1 2.87Å; R734-E785 IonicContact NH2-OE1 2.88Å; R734-E785 PolarHBondContact NH2-OE1 2.89Å |
| 735 | L | 97.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.4 | -52.4 | 173.2 | 179.9 | 62.8 | 0 | 0 | 0 | 111.4 | R731 M732 V733 K737 R738 R739 | R731-L735 PolarHBondContact O-N 2.81Å; M732-L735 WeakPolarHBondContact O-CB 3.43Å; M732-L735 PolarHBondContact O-N 2.97Å; V733-L735 VanDerWaalsContact C-N 3.33Å; L735-K737 VanDerWaalsContact C-N 3.35Å; L735-K737 PolarHBondContact O-N 3Å; L735-R738 WeakPolarHBondContact O-CA 3.42Å; L735-R738 WeakPolarHBondContact O-CB 3.27Å; L735-R738 PolarHBondContact O-N 2.67Å; L735-R739 PolarHBondContact O-N 3.39Å |
| 736 | E | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | -175.7 | -172.2 | 56.1 | -160.1 | 0 | 0 | 112.3 | M732 R738 R739 L740 L777 | M732-E736 PolarHBondContact O-N 3.09Å; E736-R738 VanDerWaalsContact C-N 3.26Å; E736-R738 PolarHBondContact O-N 3.03Å; E736-R739 VanDerWaalsContact CD-NE 3.34Å; E736-R739 PolarHBondContact O-N 3.15Å; E736-R739 IonicContact OE1-CZ 2.68Å; E736-R739 IonicContact OE1-NE 3.35Å; E736-R739 PolarHBondContact OE1-NE 3.05Å; E736-R739 IonicContact OE1-NH2 3.79Å; E736-R739 PolarHBondContact OE1-NH2 2.94Å; E736-R739 IonicContact OE2-NE 3.96Å; E736-R739 PolarHBondContact OE2-NE 3.2Å; E736-R739 VanDerWaalsContact OE2-NE 3.13Å; E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.35Å; E736-L740 PolarHBondContact O-N 3.01Å; E736-L777 HydrophobicContact CB-CD1 4.35Å; E736-L777 HydrophobicContact CB-CD2 4.43Å; E736-L777 HydrophobicContact CG-CD1 3.83Å; E736-L777 HydrophobicContact CG-CD2 4.26Å |
| 737 | K | 97.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 27% | 0.265 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -36 | 170.4 | -178.4 | -168.8 | 163.7 | -153.2 | 0 | 112.1 | V733 L735 H741 Y774 L777 L781 | V733-K737 WeakPolarHBondContact O-CB 3.2Å; V733-K737 PolarHBondContact O-N 2.88Å; L735-K737 VanDerWaalsContact C-N 3.35Å; L735-K737 PolarHBondContact O-N 3Å; K737-H741 WeakPolarHBondContact O-CB 3.26Å; K737-H741 PolarHBondContact O-N 3.29Å; K737-Y774 HydrophobicContact CD-CE2 4.42Å; K737-Y774 WeakPolarHBondContact CE-OH 3.4Å; K737-Y774 HydrophobicContact CG-CD2 4.06Å; K737-Y774 HydrophobicContact CG-CE2 3.59Å; K737-L777 HydrophobicContact CB-CB 4.39Å; K737-L781 HydrophobicContact CD-CD1 3.49Å; K737-L781 VanDerWaalsContact CD-CD1 3.49Å |
| 738 | R | 97.9 | Very high | 96.5 | Very high | 141 Ų | 141 | 71 Ų | 71 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.4 | -48.1 | 177 | -74.6 | -174.8 | -56.5 | -106.5 | 1 | 111.4 | R734 L735 E736 L740 H741 Q742 | R734-R738 WeakPolarHBondContact O-CG 3.36Å; R734-R738 PolarHBondContact O-N 3.15Å; L735-R738 WeakPolarHBondContact O-CA 3.42Å; L735-R738 WeakPolarHBondContact O-CB 3.27Å; L735-R738 PolarHBondContact O-N 2.67Å; E736-R738 VanDerWaalsContact C-N 3.26Å; E736-R738 PolarHBondContact O-N 3.03Å; R738-L740 VanDerWaalsContact C-N 3.28Å; R738-L740 PolarHBondContact O-N 3.01Å; R738-H741 WeakPolarHBondContact O-CB 3.1Å; R738-H741 PolarHBondContact O-N 3.36Å; R738-H741 VanDerWaalsContact O-N 3.09Å; R738-Q742 WeakPolarHBondContact O-CG 3.37Å; R738-Q742 PolarHBondContact O-N 3.18Å; R738-Q742 PolarHBondContact O-OE1 3.34Å |
| 739 | R | 98 | Very high | 96.7 | Very high | 108 Ų | 108 | 74.3 Ų | 74.3 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -51.9 | -50.7 | 175.7 | -172.2 | -162.3 | 70.3 | 75.3 | -6.3 | 110.6 | L735 E736 H741 Q742 T743 | L735-R739 PolarHBondContact O-N 3.39Å; E736-R739 VanDerWaalsContact CD-NE 3.34Å; E736-R739 PolarHBondContact O-N 3.15Å; E736-R739 IonicContact OE1-CZ 2.68Å; E736-R739 IonicContact OE1-NE 3.35Å; E736-R739 PolarHBondContact OE1-NE 3.05Å; E736-R739 IonicContact OE1-NH2 3.79Å; E736-R739 PolarHBondContact OE1-NH2 2.94Å; E736-R739 IonicContact OE2-NE 3.96Å; E736-R739 PolarHBondContact OE2-NE 3.2Å; E736-R739 VanDerWaalsContact OE2-NE 3.13Å; R739-H741 VanDerWaalsContact C-N 3.34Å; R739-H741 PolarHBondContact O-N 3.14Å; R739-Q742 WeakPolarHBondContact O-CB 3.24Å; R739-Q742 PolarHBondContact O-N 3.34Å; R739-T743 PolarHBondContact O-N 3.38Å; R739-T743 PolarHBondContact O-OG1 2.88Å |
| 740 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.8 | -28.3 | -178.4 | -162.1 | 64.7 | 0 | 0 | 0 | 113.1 | E736 R738 L744 E770 Q773 Y774 L777 | E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.35Å; E736-L740 PolarHBondContact O-N 3.01Å; R738-L740 VanDerWaalsContact C-N 3.28Å; R738-L740 PolarHBondContact O-N 3.01Å; L740-L744 WeakPolarHBondContact O-CB 3.21Å; L740-L744 VanDerWaalsContact O-CG 3.26Å; L740-L744 WeakPolarHBondContact O-CG 3.2Å; L740-L744 PolarHBondContact O-N 3.21Å; L740-E770 HydrophobicContact CD1-CB 3.73Å; L740-E770 HydrophobicContact CD1-CG 3.69Å; L740-E770 WeakPolarHBondContact CD2-O 3.42Å; L740-E770 HydrophobicContact CG-CB 4.4Å; L740-Q773 HydrophobicContact CD2-CB 3.53Å; L740-Y774 VanDerWaalsContact CD2-N 3.28Å; L740-L777 HydrophobicContact CD2-CD1 3.78Å |
| 741 | H | 97.7 | Very high | 97.1 | Very high | 93 Ų | 93 | 80 Ų | 80 | 43% | 0.431 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 169.8 | -167 | -2.6 | 0 | 0 | 0 | 111.6 | K737 R738 R739 L744 Q745 Y774 | K737-H741 WeakPolarHBondContact O-CB 3.26Å; K737-H741 PolarHBondContact O-N 3.29Å; R738-H741 WeakPolarHBondContact O-CB 3.1Å; R738-H741 PolarHBondContact O-N 3.36Å; R738-H741 VanDerWaalsContact O-N 3.09Å; R739-H741 VanDerWaalsContact C-N 3.34Å; R739-H741 PolarHBondContact O-N 3.14Å; H741-L744 PolarHBondContact O-N 3.27Å; H741-Q745 VanDerWaalsContact O-CB 3.3Å; H741-Q745 WeakPolarHBondContact O-CB 3.25Å; H741-Q745 PolarHBondContact O-N 3Å; H741-Y774 HydrophobicContact CB-CE2 3.9Å |
| 742 | Q | 98.1 | Very high | 97.1 | Very high | 116 Ų | 116 | 78 Ų | 78 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 178.7 | -67.7 | 165.9 | -51.6 | 0 | 0 | 110.5 | R738 R739 L744 Q745 E746 | R738-Q742 WeakPolarHBondContact O-CG 3.37Å; R738-Q742 PolarHBondContact O-N 3.18Å; R738-Q742 PolarHBondContact O-OE1 3.34Å; R739-Q742 WeakPolarHBondContact O-CB 3.24Å; R739-Q742 PolarHBondContact O-N 3.34Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 2.82Å; Q742-Q745 PolarHBondContact O-N 3.45Å; Q742-Q745 VanDerWaalsContact O-N 3.16Å; Q742-E746 WeakPolarHBondContact O-CB 3.41Å; Q742-E746 WeakPolarHBondContact O-CG 3.33Å; Q742-E746 PolarHBondContact O-N 3.34Å |
| 743 | T | 97.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 76.1 Ų | 76.1 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 174.9 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | R739 F747 M767 | R739-T743 PolarHBondContact O-N 3.38Å; R739-T743 PolarHBondContact O-OG1 2.88Å; T743-F747 PolarHBondContact O-N 3.35Å; T743-F747 VanDerWaalsContact O-N 3.15Å; T743-M767 HydrophobicContact CG2-SD 4.37Å |
| 744 | L | 97.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 83.4 Ų | 83.4 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 176.6 | -72.7 | 175.2 | 0 | 0 | 0 | 112.7 | L740 H741 Q742 F747 E748 M767 E770 Y771 Y774 | L740-L744 WeakPolarHBondContact O-CB 3.21Å; L740-L744 VanDerWaalsContact O-CG 3.26Å; L740-L744 WeakPolarHBondContact O-CG 3.2Å; L740-L744 PolarHBondContact O-N 3.21Å; H741-L744 PolarHBondContact O-N 3.27Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 2.82Å; L744-F747 PolarHBondContact O-N 2.8Å; L744-E748 PolarHBondContact O-N 3.37Å; L744-M767 HydrophobicContact CD2-CB 4.01Å; L744-E770 HydrophobicContact CD2-CB 3.56Å; L744-E770 HydrophobicContact CG-CB 4.08Å; L744-Y771 HydrophobicContact CD1-CD1 3.81Å; L744-Y771 HydrophobicContact CD1-CE1 4.1Å; L744-Y771 HydrophobicContact CD1-CG 4.33Å; L744-Y771 HydrophobicContact CD2-CD1 3.83Å; L744-Y771 HydrophobicContact CD2-CD2 3.76Å; L744-Y771 HydrophobicContact CD2-CE1 3.79Å; L744-Y771 HydrophobicContact CD2-CE2 3.68Å; L744-Y771 HydrophobicContact CD2-CG 3.81Å; L744-Y771 HydrophobicContact CG-CD1 4.4Å; L744-Y771 HydrophobicContact CG-CE1 4.37Å; L744-Y774 HydrophobicContact CD1-CD2 4.38Å; L744-Y774 HydrophobicContact CD1-CG 4.12Å |
| 745 | Q | 97.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 81 Ų | 81 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 176.1 | -179.5 | 176.9 | -11.2 | 0 | 0 | 111.3 | H741 Q742 F747 E748 D749 | H741-Q745 VanDerWaalsContact O-CB 3.3Å; H741-Q745 WeakPolarHBondContact O-CB 3.25Å; H741-Q745 PolarHBondContact O-N 3Å; Q742-Q745 PolarHBondContact O-N 3.45Å; Q742-Q745 VanDerWaalsContact O-N 3.16Å; Q745-F747 PolarHBondContact O-N 3.09Å; Q745-E748 PolarHBondContact O-N 3.46Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; Q745-D749 WeakPolarHBondContact CG-OD2 3.47Å; Q745-D749 WeakPolarHBondContact O-CB 3.48Å; Q745-D749 VanDerWaalsContact O-CG 3.3Å; Q745-D749 PolarHBondContact O-N 2.96Å |
| 746 | E | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.9 | -36.1 | 173.7 | -76.2 | 175.3 | -131.9 | 0 | 0 | 112.1 | Q742 R750 | Q742-E746 WeakPolarHBondContact O-CB 3.41Å; Q742-E746 WeakPolarHBondContact O-CG 3.33Å; Q742-E746 PolarHBondContact O-N 3.34Å; E746-R750 VanDerWaalsContact O-CB 3.25Å; E746-R750 WeakPolarHBondContact O-CB 3.24Å; E746-R750 WeakPolarHBondContact O-CD 3.45Å; E746-R750 WeakPolarHBondContact O-CG 3.4Å; E746-R750 PolarHBondContact O-N 3.2Å; E746-R750 IonicContact OE2-CZ 3.13Å; E746-R750 IonicContact OE2-NH1 2.68Å; E746-R750 IonicContact OE2-NH2 3.19Å; E746-R750 PolarHBondContact OE2-NH2 3.05Å |
| 747 | F | 97.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 81.2 Ų | 81.2 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.3 | -48.4 | 173.3 | 173 | -99.2 | 0 | 0 | 0 | 112.6 | T743 L744 Q745 D749 R750 F751 P766 M767 | T743-F747 PolarHBondContact O-N 3.35Å; T743-F747 VanDerWaalsContact O-N 3.15Å; L744-F747 PolarHBondContact O-N 2.8Å; Q745-F747 PolarHBondContact O-N 3.09Å; F747-D749 VanDerWaalsContact C-N 3.3Å; F747-D749 PolarHBondContact O-N 3.03Å; F747-R750 PolarHBondContact O-N 3.18Å; F747-F751 WeakPolarHBondContact O-CB 3.48Å; F747-F751 PolarHBondContact O-N 2.82Å; F747-P766 HydrophobicContact CE2-CB 4.03Å; F747-P766 HydrophobicContact CE2-CG 4.35Å; F747-P766 HydrophobicContact CZ-CB 4.3Å; F747-P766 HydrophobicContact CZ-CG 4.33Å; F747-M767 HydrophobicContact CB-CG 3.84Å; F747-M767 HydrophobicContact CB-SD 4.16Å; F747-M767 HydrophobicContact CD1-CB 4.28Å; F747-M767 HydrophobicContact CD1-CG 3.74Å; F747-M767 HydrophobicContact CD2-CG 3.53Å; F747-M767 HydrophobicContact CD2-SD 4.43Å; F747-M767 HydrophobicContact CE1-CB 4.45Å; F747-M767 HydrophobicContact CE1-CG 4.13Å; F747-M767 HydrophobicContact CE2-CG 3.96Å; F747-M767 HydrophobicContact CG-CB 4.42Å; F747-M767 HydrophobicContact CG-CG 3.41Å; F747-M767 VanDerWaalsContact CG-CG 3.41Å; F747-M767 HydrophobicContact CG-SD 4.33Å; F747-M767 HydrophobicContact CZ-CG 4.24Å |
| 748 | E | 96.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 83.1 Ų | 83.1 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.8 | -70.8 | -171.7 | 162.5 | 0 | 0 | 111.5 | L744 Q745 Y752 C759 R764 Y771 | L744-E748 PolarHBondContact O-N 3.37Å; Q745-E748 PolarHBondContact O-N 3.46Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; E748-Y752 WeakPolarHBondContact O-CB 3.27Å; E748-Y752 PolarHBondContact O-N 3.18Å; E748-C759 HydrophobicContact CG-CB 4.04Å; E748-R764 IonicContact OE1-CZ 3.83Å; E748-R764 IonicContact OE1-NE 2.74Å; E748-R764 PolarHBondContact OE1-NE 3.46Å; E748-R764 IonicContact OE1-NH2 2.72Å; E748-R764 PolarHBondContact OE1-NH2 3.4Å; E748-Y771 VanDerWaalsContact CG-OH 3.27Å; E748-Y771 WeakPolarHBondContact CG-OH 3.43Å; E748-Y771 PolarHBondContact OE1-OH 2.96Å |
| 749 | D | 97.6 | Very high | 96.6 | Very high | 92 Ų | 92 | 76.7 Ų | 76.7 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.4 | -46.3 | 176.3 | -69.9 | -22.3 | 0 | 0 | 0 | 112 | Q745 F747 F751 Y752 A753 | Q745-D749 WeakPolarHBondContact CG-OD2 3.47Å; Q745-D749 WeakPolarHBondContact O-CB 3.48Å; Q745-D749 VanDerWaalsContact O-CG 3.3Å; Q745-D749 PolarHBondContact O-N 2.96Å; F747-D749 VanDerWaalsContact C-N 3.3Å; F747-D749 PolarHBondContact O-N 3.03Å; D749-F751 VanDerWaalsContact C-N 3.34Å; D749-F751 PolarHBondContact O-N 2.68Å; D749-Y752 PolarHBondContact O-N 3.31Å; D749-A753 WeakPolarHBondContact O-CB 3.49Å; D749-A753 PolarHBondContact O-N 2.95Å |
| 750 | R | 96.7 | Very high | 96.3 | Very high | 144 Ų | 144 | 77 Ų | 77 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.4 | -75.6 | 168.6 | -169.4 | 143.8 | 14.3 | 111.7 | E746 F747 A753 Q754 | E746-R750 VanDerWaalsContact O-CB 3.25Å; E746-R750 WeakPolarHBondContact O-CB 3.24Å; E746-R750 WeakPolarHBondContact O-CD 3.45Å; E746-R750 WeakPolarHBondContact O-CG 3.4Å; E746-R750 PolarHBondContact O-N 3.2Å; E746-R750 IonicContact OE2-CZ 3.13Å; E746-R750 IonicContact OE2-NH1 2.68Å; E746-R750 IonicContact OE2-NH2 3.19Å; E746-R750 PolarHBondContact OE2-NH2 3.05Å; F747-R750 PolarHBondContact O-N 3.18Å; R750-A753 PolarHBondContact O-N 3.01Å; R750-Q754 WeakPolarHBondContact O-CB 3.48Å; R750-Q754 VanDerWaalsContact O-CG 3.29Å; R750-Q754 WeakPolarHBondContact O-CG 3.34Å; R750-Q754 PolarHBondContact O-N 2.89Å |
| 751 | F | 97.3 | Very high | 96 | Very high | 28 Ų | 28 | 84.9 Ų | 84.9 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.2 | -178.1 | -86.8 | 0 | 0 | 0 | 111.3 | F747 D749 Q754 T755 R757 C759 D763 | F747-F751 WeakPolarHBondContact O-CB 3.48Å; F747-F751 PolarHBondContact O-N 2.82Å; D749-F751 VanDerWaalsContact C-N 3.34Å; D749-F751 PolarHBondContact O-N 2.68Å; F751-Q754 PolarHBondContact O-N 3.23Å; F751-T755 HydrophobicContact CD2-CG2 4.37Å; F751-T755 HydrophobicContact CE1-CG2 4.25Å; F751-T755 VanDerWaalsContact CE1-OG1 3.28Å; F751-T755 WeakPolarHBondContact CE1-OG1 3.2Å; F751-T755 HydrophobicContact CE2-CG2 4.01Å; F751-T755 HydrophobicContact CZ-CG2 3.94Å; F751-T755 WeakPolarHBondContact O-CB 3.19Å; F751-T755 PolarHBondContact O-N 2.68Å; F751-T755 PolarHBondContact O-OG1 3.39Å; F751-R757 WeakPolarHBondContact CD1-O 3.32Å; F751-R757 HydrophobicContact CE1-CG 4.24Å; F751-C759 HydrophobicContact CD1-CB 3.77Å; F751-C759 HydrophobicContact CE1-CB 4.19Å; F751-C759 HydrophobicContact CG-CB 4.22Å; F751-D763 HydrophobicContact CD2-CB 4.46Å; F751-D763 HydrophobicContact CE1-CB 4.3Å; F751-D763 HydrophobicContact CE2-CB 3.67Å; F751-D763 HydrophobicContact CZ-CB 3.58Å |
| 752 | Y | 97 | Very high | 95.7 | Very high | 132 Ų | 132 | 86.9 Ų | 86.9 | 52% | 0.518 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.4 | -176.8 | -95.5 | 0 | 0 | 0 | 111.6 | E748 D749 Q754 T755 G756 V758 | E748-Y752 WeakPolarHBondContact O-CB 3.27Å; E748-Y752 PolarHBondContact O-N 3.18Å; D749-Y752 PolarHBondContact O-N 3.31Å; Y752-Q754 VanDerWaalsContact C-N 3.31Å; Y752-Q754 PolarHBondContact O-N 3.07Å; Y752-T755 PolarHBondContact O-N 3.23Å; Y752-G756 WeakPolarHBondContact O-CA 3.31Å; Y752-G756 PolarHBondContact O-N 3.03Å; Y752-V758 HydrophobicContact CD2-CG2 4.27Å; Y752-V758 HydrophobicContact CE2-CG2 4.38Å |
| 753 | A | 97.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 82.9 Ų | 82.9 | 70% | 0.702 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.8 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D749 R750 | D749-A753 WeakPolarHBondContact O-CB 3.49Å; D749-A753 PolarHBondContact O-N 2.95Å; R750-A753 PolarHBondContact O-N 3.01Å |
| 754 | Q | 95.5 | Very high | 95.2 | Very high | 157 Ų | 157 | 84.5 Ų | 84.5 | 73% | 0.734 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -82.6 | -33.7 | 178.9 | -71.4 | 172.4 | 21.4 | 0 | 0 | 113.8 | R750 F751 Y752 | R750-Q754 WeakPolarHBondContact O-CB 3.48Å; R750-Q754 VanDerWaalsContact O-CG 3.29Å; R750-Q754 WeakPolarHBondContact O-CG 3.34Å; R750-Q754 PolarHBondContact O-N 2.89Å; F751-Q754 PolarHBondContact O-N 3.23Å; Y752-Q754 VanDerWaalsContact C-N 3.31Å; Y752-Q754 PolarHBondContact O-N 3.07Å |
| 755 | T | 93.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 86.6 Ų | 86.6 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -113.5 | -8.8 | -169.1 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | F751 Y752 R757 | F751-T755 HydrophobicContact CD2-CG2 4.37Å; F751-T755 HydrophobicContact CE1-CG2 4.25Å; F751-T755 VanDerWaalsContact CE1-OG1 3.28Å; F751-T755 WeakPolarHBondContact CE1-OG1 3.2Å; F751-T755 HydrophobicContact CE2-CG2 4.01Å; F751-T755 HydrophobicContact CZ-CG2 3.94Å; F751-T755 WeakPolarHBondContact O-CB 3.19Å; F751-T755 PolarHBondContact O-N 2.68Å; F751-T755 PolarHBondContact O-OG1 3.39Å; Y752-T755 PolarHBondContact O-N 3.23Å; T755-R757 PolarHBondContact O-N 3.28Å; T755-R757 VanDerWaalsContact O-N 3.17Å; T755-R757 WeakPolarHBondContact OG1-CG 3.34Å; T755-R757 PolarHBondContact OG1-N 3.48Å; T755-R757 PolarHBondContact OG1-O 3.07Å |
| 756 | G | 95.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 86.6 Ų | 86.6 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 66.1 | 8.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y752 | Y752-G756 WeakPolarHBondContact O-CA 3.31Å; Y752-G756 PolarHBondContact O-N 3.03Å |
| 757 | R | 95.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 84.2 Ų | 84.2 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -136.1 | 151.9 | -176.2 | 64.3 | 177.6 | -172.1 | 83.3 | -5.9 | 112 | F751 T755 D763 | F751-R757 WeakPolarHBondContact CD1-O 3.32Å; F751-R757 HydrophobicContact CE1-CG 4.24Å; T755-R757 PolarHBondContact O-N 3.28Å; T755-R757 VanDerWaalsContact O-N 3.17Å; T755-R757 WeakPolarHBondContact OG1-CG 3.34Å; T755-R757 PolarHBondContact OG1-N 3.48Å; T755-R757 PolarHBondContact OG1-O 3.07Å; R757-D763 IonicContact CZ-OD1 3.85Å; R757-D763 IonicContact CZ-OD2 3.51Å; R757-D763 IonicContact NH1-OD1 3.97Å; R757-D763 PolarHBondContact NH1-OD1 3.5Å; R757-D763 IonicContact NH1-OD2 3.23Å; R757-D763 PolarHBondContact NH1-OD2 3.17Å; R757-D763 IonicContact NH2-OD1 2.7Å; R757-D763 PolarHBondContact NH2-OD1 2.81Å; R757-D763 IonicContact NH2-OD2 2.68Å |
| 758 | V | 93.9 | Very high | 94.5 | Very high | 101 Ų | 101 | 85 Ų | 85 | 61% | 0.612 | 45% | 0.452 | S | S | * | . | trans | -67.1 | 141.7 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | Y752 Q760 | Y752-V758 HydrophobicContact CD2-CG2 4.27Å; Y752-V758 HydrophobicContact CE2-CG2 4.38Å; V758-Q760 PolarHBondContact O-N 3.32Å | ||
| 759 | C | 94 | Very high | 94.4 | Very high | 5 Ų | 5 | 88.1 Ų | 88.1 | 3% | 0.034 | 47% | 0.467 | C | S | . | . | trans | -59.8 | 112.6 | 176 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | E748 F751 R764 | E748-C759 HydrophobicContact CG-CB 4.04Å; F751-C759 HydrophobicContact CD1-CB 3.77Å; F751-C759 HydrophobicContact CE1-CB 4.19Å; F751-C759 HydrophobicContact CG-CB 4.22Å; C759-R764 VanDerWaalsContact SG-CG 3.56Å | ||
| 760 | Q | 92.6 | Very high | 94.4 | Very high | 116 Ų | 116 | 86 Ų | 86 | 54% | 0.542 | 45% | 0.454 | S | S | . | . | trans | -84.8 | 175.1 | 175.8 | -55.3 | -165 | 0.5 | 0 | 0 | 110.4 | V758 E762 D763 R764 | V758-Q760 PolarHBondContact O-N 3.32Å; Q760-E762 PolarHBondContact O-N 3.1Å; Q760-D763 WeakPolarHBondContact CA-OD2 3.3Å; Q760-D763 VanDerWaalsContact CB-OD2 3.3Å; Q760-D763 WeakPolarHBondContact CB-OD2 3.45Å; Q760-D763 PolarHBondContact N-OD2 3.38Å; Q760-D763 PolarHBondContact O-N 2.96Å; Q760-R764 WeakPolarHBondContact O-CG 3.41Å | ||
| 761 | K | 91.1 | Very high | 94.4 | Very high | 164 Ų | 164 | 80.4 Ų | 80.4 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.6 | -174.3 | 177.4 | -167.2 | 170.8 | -159.7 | 0 | 111.7 | ||
| 762 | E | 90.9 | Very high | 94.4 | Very high | 135 Ų | 135 | 82 Ų | 82 | 63% | 0.631 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -35.9 | -177.6 | -63.6 | 59.5 | -134.6 | 0 | 0 | 110.9 | Q760 R764 | Q760-E762 PolarHBondContact O-N 3.1Å; E762-R764 VanDerWaalsContact C-N 3.26Å; E762-R764 PolarHBondContact O-N 2.83Å |
| 763 | D | 91.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 18% | 0.176 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.8 | 179 | -53 | -59.7 | 0 | 0 | 0 | 113.5 | F751 R757 Q760 G765 P766 | F751-D763 HydrophobicContact CD2-CB 4.46Å; F751-D763 HydrophobicContact CE1-CB 4.3Å; F751-D763 HydrophobicContact CE2-CB 3.67Å; F751-D763 HydrophobicContact CZ-CB 3.58Å; R757-D763 IonicContact CZ-OD1 3.85Å; R757-D763 IonicContact CZ-OD2 3.51Å; R757-D763 IonicContact NH1-OD1 3.97Å; R757-D763 PolarHBondContact NH1-OD1 3.5Å; R757-D763 IonicContact NH1-OD2 3.23Å; R757-D763 PolarHBondContact NH1-OD2 3.17Å; R757-D763 IonicContact NH2-OD1 2.7Å; R757-D763 PolarHBondContact NH2-OD1 2.81Å; R757-D763 IonicContact NH2-OD2 2.68Å; Q760-D763 WeakPolarHBondContact CA-OD2 3.3Å; Q760-D763 VanDerWaalsContact CB-OD2 3.3Å; Q760-D763 WeakPolarHBondContact CB-OD2 3.45Å; Q760-D763 PolarHBondContact N-OD2 3.38Å; Q760-D763 PolarHBondContact O-N 2.96Å; D763-G765 PolarHBondContact O-N 3.18Å; D763-P766 VanDerWaalsContact O-CD 3.22Å; D763-P766 WeakPolarHBondContact O-CD 3.49Å |
| 764 | R | 92.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 76.8 Ų | 76.8 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -0.6 | -176.7 | -71.5 | -176.4 | 169.2 | 109.4 | -0.3 | 114.6 | E748 C759 Q760 E762 M767 A768 Y771 | E748-R764 IonicContact OE1-CZ 3.83Å; E748-R764 IonicContact OE1-NE 2.74Å; E748-R764 PolarHBondContact OE1-NE 3.46Å; E748-R764 IonicContact OE1-NH2 2.72Å; E748-R764 PolarHBondContact OE1-NH2 3.4Å; C759-R764 VanDerWaalsContact SG-CG 3.56Å; Q760-R764 WeakPolarHBondContact O-CG 3.41Å; E762-R764 VanDerWaalsContact C-N 3.26Å; E762-R764 PolarHBondContact O-N 2.83Å; R764-M767 CarbonylContact O-C 3.49Å; R764-M767 PolarHBondContact O-N 2.7Å; R764-M767 VanDerWaalsContact O-N 3.11Å; R764-A768 PolarHBondContact O-N 3.37Å; R764-A768 VanDerWaalsContact O-N 3.08Å; R764-Y771 HydrophobicContact CB-CD2 3.85Å; R764-Y771 HydrophobicContact CB-CE2 3.59Å; R764-Y771 VanDerWaalsContact CD-CE2 3.43Å; R764-Y771 HydrophobicContact CG-CD2 3.99Å; R764-Y771 HydrophobicContact CG-CE1 4.48Å; R764-Y771 HydrophobicContact CG-CE2 3.34Å; R764-Y771 PolarHBondContact NE-OH 2.99Å; R764-Y771 VanDerWaalsContact NE-OH 3.14Å |
| 765 | G | 92.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -46 | -50.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D763 M767 A768 | D763-G765 PolarHBondContact O-N 3.18Å; G765-M767 PolarHBondContact O-N 3.24Å; G765-A768 VanDerWaalsContact O-CB 3.31Å; G765-A768 WeakPolarHBondContact O-CB 3.48Å; G765-A768 PolarHBondContact O-N 3.13Å |
| 766 | P | 93.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -65.4 | -16.4 | -178.4 | -24 | 35.9 | 0 | 0 | 0 | 115.9 | F747 D763 | F747-P766 HydrophobicContact CE2-CB 4.03Å; F747-P766 HydrophobicContact CE2-CG 4.35Å; F747-P766 HydrophobicContact CZ-CB 4.3Å; F747-P766 HydrophobicContact CZ-CG 4.33Å; D763-P766 VanDerWaalsContact O-CD 3.22Å; D763-P766 WeakPolarHBondContact O-CD 3.49Å |
| 767 | M | 94.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 75.8 Ų | 75.8 | 18% | 0.177 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -124 | 23.5 | 177.9 | -65.3 | -85.1 | 86.9 | 0 | 0 | 111.8 | T743 L744 F747 R764 G765 E769 E770 Y771 | T743-M767 HydrophobicContact CG2-SD 4.37Å; L744-M767 HydrophobicContact CD2-CB 4.01Å; F747-M767 HydrophobicContact CB-CG 3.84Å; F747-M767 HydrophobicContact CB-SD 4.16Å; F747-M767 HydrophobicContact CD1-CB 4.28Å; F747-M767 HydrophobicContact CD1-CG 3.74Å; F747-M767 HydrophobicContact CD2-CG 3.53Å; F747-M767 HydrophobicContact CD2-SD 4.43Å; F747-M767 HydrophobicContact CE1-CB 4.45Å; F747-M767 HydrophobicContact CE1-CG 4.13Å; F747-M767 HydrophobicContact CE2-CG 3.96Å; F747-M767 HydrophobicContact CG-CB 4.42Å; F747-M767 HydrophobicContact CG-CG 3.41Å; F747-M767 VanDerWaalsContact CG-CG 3.41Å; F747-M767 HydrophobicContact CG-SD 4.33Å; F747-M767 HydrophobicContact CZ-CG 4.24Å; R764-M767 CarbonylContact O-C 3.49Å; R764-M767 PolarHBondContact O-N 2.7Å; R764-M767 VanDerWaalsContact O-N 3.11Å; G765-M767 PolarHBondContact O-N 3.24Å; M767-E769 PolarHBondContact O-N 3.35Å; M767-E770 VanDerWaalsContact C-OE2 3.22Å; M767-E770 WeakPolarHBondContact CA-OE2 3.37Å; M767-E770 HydrophobicContact CB-CB 4.46Å; M767-E770 VanDerWaalsContact CE-CD 3.48Å; M767-E770 HydrophobicContact CE-CG 4.43Å; M767-E770 VanDerWaalsContact CE-OE1 3.24Å; M767-E770 WeakPolarHBondContact CE-OE1 3.41Å; M767-E770 PolarHBondContact O-N 2.94Å; M767-E770 HydrophobicContact SD-CG 4.23Å; M767-Y771 HydrophobicContact CB-CD2 4.06Å; M767-Y771 HydrophobicContact CB-CE2 3.88Å; M767-Y771 WeakPolarHBondContact O-CD2 3.46Å; M767-Y771 PolarHBondContact O-N 3.44Å |
| 768 | A | 94.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 75.3 Ų | 75.3 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -29.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R764 G765 C772 | R764-A768 PolarHBondContact O-N 3.37Å; R764-A768 VanDerWaalsContact O-N 3.08Å; G765-A768 VanDerWaalsContact O-CB 3.31Å; G765-A768 WeakPolarHBondContact O-CB 3.48Å; G765-A768 PolarHBondContact O-N 3.13Å; A768-C772 PolarHBondContact O-N 3.4Å; A768-C772 PolarHBondContact O-SG 2.68Å |
| 769 | E | 96.3 | Very high | 94.7 | Very high | 129 Ų | 129 | 73.1 Ų | 73.1 | 60% | 0.603 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.9 | -46.9 | 175.3 | -164.2 | -176.8 | 154.4 | 0 | 0 | 111.2 | M767 Y771 C772 Q773 | M767-E769 PolarHBondContact O-N 3.35Å; E769-Y771 VanDerWaalsContact C-N 3.34Å; E769-Y771 PolarHBondContact O-N 3.32Å; E769-C772 CarbonylContact O-C 3.6Å; E769-C772 WeakPolarHBondContact O-CA 3.25Å; E769-C772 WeakPolarHBondContact O-CB 3.26Å; E769-C772 PolarHBondContact O-N 3.46Å; E769-Q773 HydrophobicContact CG-CG 4.2Å; E769-Q773 WeakPolarHBondContact O-CG 3.46Å; E769-Q773 PolarHBondContact O-N 2.88Å; E769-Q773 PolarHBondContact OE1-NE2 3.02Å |
| 770 | E | 97 | Very high | 94.7 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 178.9 | -67.5 | 81 | 175.4 | 0 | 0 | 111.4 | L740 L744 M767 C772 Q773 Y774 | L740-E770 HydrophobicContact CD1-CB 3.73Å; L740-E770 HydrophobicContact CD1-CG 3.69Å; L740-E770 WeakPolarHBondContact CD2-O 3.42Å; L740-E770 HydrophobicContact CG-CB 4.4Å; L744-E770 HydrophobicContact CD2-CB 3.56Å; L744-E770 HydrophobicContact CG-CB 4.08Å; M767-E770 VanDerWaalsContact C-OE2 3.22Å; M767-E770 WeakPolarHBondContact CA-OE2 3.37Å; M767-E770 HydrophobicContact CB-CB 4.46Å; M767-E770 VanDerWaalsContact CE-CD 3.48Å; M767-E770 HydrophobicContact CE-CG 4.43Å; M767-E770 VanDerWaalsContact CE-OE1 3.24Å; M767-E770 WeakPolarHBondContact CE-OE1 3.41Å; M767-E770 PolarHBondContact O-N 2.94Å; M767-E770 HydrophobicContact SD-CG 4.23Å; E770-C772 VanDerWaalsContact C-N 3.27Å; E770-C772 PolarHBondContact O-N 3.01Å; E770-Q773 PolarHBondContact O-N 3.09Å; E770-Y774 VanDerWaalsContact O-CB 3.27Å; E770-Y774 WeakPolarHBondContact O-CB 3.26Å; E770-Y774 PolarHBondContact O-N 3.12Å |
| 771 | Y | 96.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -30.9 | 172.4 | -75.2 | -70.1 | 0 | 0 | 0 | 112.9 | L744 E748 R764 M767 E769 K775 | L744-Y771 HydrophobicContact CD1-CD1 3.81Å; L744-Y771 HydrophobicContact CD1-CE1 4.1Å; L744-Y771 HydrophobicContact CD1-CG 4.33Å; L744-Y771 HydrophobicContact CD2-CD1 3.83Å; L744-Y771 HydrophobicContact CD2-CD2 3.76Å; L744-Y771 HydrophobicContact CD2-CE1 3.79Å; L744-Y771 HydrophobicContact CD2-CE2 3.68Å; L744-Y771 HydrophobicContact CD2-CG 3.81Å; L744-Y771 HydrophobicContact CG-CD1 4.4Å; L744-Y771 HydrophobicContact CG-CE1 4.37Å; E748-Y771 VanDerWaalsContact CG-OH 3.27Å; E748-Y771 WeakPolarHBondContact CG-OH 3.43Å; E748-Y771 PolarHBondContact OE1-OH 2.96Å; R764-Y771 HydrophobicContact CB-CD2 3.85Å; R764-Y771 HydrophobicContact CB-CE2 3.59Å; R764-Y771 VanDerWaalsContact CD-CE2 3.43Å; R764-Y771 HydrophobicContact CG-CD2 3.99Å; R764-Y771 HydrophobicContact CG-CE1 4.48Å; R764-Y771 HydrophobicContact CG-CE2 3.34Å; R764-Y771 PolarHBondContact NE-OH 2.99Å; R764-Y771 VanDerWaalsContact NE-OH 3.14Å; M767-Y771 HydrophobicContact CB-CD2 4.06Å; M767-Y771 HydrophobicContact CB-CE2 3.88Å; M767-Y771 WeakPolarHBondContact O-CD2 3.46Å; M767-Y771 PolarHBondContact O-N 3.44Å; E769-Y771 VanDerWaalsContact C-N 3.34Å; E769-Y771 PolarHBondContact O-N 3.32Å; Y771-K775 WeakPolarHBondContact O-CD 3.2Å; Y771-K775 VanDerWaalsContact O-CG 3.27Å; Y771-K775 WeakPolarHBondContact O-CG 3.42Å; Y771-K775 PolarHBondContact O-N 3.07Å |
| 772 | C | 96 | Very high | 95.1 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 42% | 0.419 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76.8 | -47.1 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | A768 E769 E770 Y774 K775 N776 | A768-C772 PolarHBondContact O-N 3.4Å; A768-C772 PolarHBondContact O-SG 2.68Å; E769-C772 CarbonylContact O-C 3.6Å; E769-C772 WeakPolarHBondContact O-CA 3.25Å; E769-C772 WeakPolarHBondContact O-CB 3.26Å; E769-C772 PolarHBondContact O-N 3.46Å; E770-C772 VanDerWaalsContact C-N 3.27Å; E770-C772 PolarHBondContact O-N 3.01Å; C772-Y774 VanDerWaalsContact C-N 3.31Å; C772-Y774 PolarHBondContact O-N 2.98Å; C772-K775 PolarHBondContact O-N 3.37Å; C772-N776 PolarHBondContact O-N 3.07Å; C772-N776 PolarHBondContact O-ND2 3.13Å; C772-N776 PolarHBondContact O-OD1 2.76Å |
| 773 | Q | 96 | Very high | 95.3 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 29% | 0.29 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56 | -44.3 | 172.9 | -72.5 | -178.1 | 14.9 | 0 | 0 | 110.8 | L740 E769 E770 K775 N776 L777 | L740-Q773 HydrophobicContact CD2-CB 3.53Å; E769-Q773 HydrophobicContact CG-CG 4.2Å; E769-Q773 WeakPolarHBondContact O-CG 3.46Å; E769-Q773 PolarHBondContact O-N 2.88Å; E769-Q773 PolarHBondContact OE1-NE2 3.02Å; E770-Q773 PolarHBondContact O-N 3.09Å; Q773-K775 PolarHBondContact O-N 3.22Å; Q773-N776 CarbonylContact O-C 3.51Å; Q773-N776 PolarHBondContact O-N 3.47Å; Q773-N776 VanDerWaalsContact O-N 3.14Å; Q773-L777 WeakPolarHBondContact O-CB 3.4Å; Q773-L777 VanDerWaalsContact O-CG 3.27Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.15Å |
| 774 | Y | 97.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.8 | -177.4 | -90 | 0 | 0 | 0 | 112.4 | K737 L740 H741 L744 E770 C772 K778 | K737-Y774 HydrophobicContact CD-CE2 4.42Å; K737-Y774 WeakPolarHBondContact CE-OH 3.4Å; K737-Y774 HydrophobicContact CG-CD2 4.06Å; K737-Y774 HydrophobicContact CG-CE2 3.59Å; L740-Y774 VanDerWaalsContact CD2-N 3.28Å; H741-Y774 HydrophobicContact CB-CE2 3.9Å; L744-Y774 HydrophobicContact CD1-CD2 4.38Å; L744-Y774 HydrophobicContact CD1-CG 4.12Å; E770-Y774 VanDerWaalsContact O-CB 3.27Å; E770-Y774 WeakPolarHBondContact O-CB 3.26Å; E770-Y774 PolarHBondContact O-N 3.12Å; C772-Y774 VanDerWaalsContact C-N 3.31Å; C772-Y774 PolarHBondContact O-N 2.98Å; Y774-K778 HydrophobicContact CE1-CD 4.4Å; Y774-K778 VanDerWaalsContact O-CB 3.32Å; Y774-K778 WeakPolarHBondContact O-CB 3.19Å; Y774-K778 PolarHBondContact O-N 3.25Å |
| 775 | K | 96.3 | Very high | 95.5 | Very high | 130 Ų | 130 | 65.8 Ų | 65.8 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 173 | -73.5 | 168.2 | -175.1 | 173.5 | 0 | 111.4 | Y771 C772 Q773 K778 A779 | Y771-K775 WeakPolarHBondContact O-CD 3.2Å; Y771-K775 VanDerWaalsContact O-CG 3.27Å; Y771-K775 WeakPolarHBondContact O-CG 3.42Å; Y771-K775 PolarHBondContact O-N 3.07Å; C772-K775 PolarHBondContact O-N 3.37Å; Q773-K775 PolarHBondContact O-N 3.22Å; K775-K778 PolarHBondContact O-N 2.94Å; K775-A779 PolarHBondContact O-N 3.26Å |
| 776 | N | 95.4 | Very high | 95.6 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 178.1 | -66.6 | -12.6 | 0 | 0 | 0 | 111.6 | C772 Q773 A779 K780 | C772-N776 PolarHBondContact O-N 3.07Å; C772-N776 PolarHBondContact O-ND2 3.13Å; C772-N776 PolarHBondContact O-OD1 2.76Å; Q773-N776 CarbonylContact O-C 3.51Å; Q773-N776 PolarHBondContact O-N 3.47Å; Q773-N776 VanDerWaalsContact O-N 3.14Å; N776-A779 WeakPolarHBondContact O-CB 3.47Å; N776-A779 PolarHBondContact O-N 3.25Å; N776-K780 WeakPolarHBondContact O-CB 3.4Å; N776-K780 PolarHBondContact O-N 3.42Å |
| 777 | L | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 173.8 | -67.3 | 165 | 0 | 0 | 0 | 111.5 | V733 E736 K737 L740 Q773 A779 K780 L781 | V733-L777 HydrophobicContact CG1-CB 4.2Å; V733-L777 HydrophobicContact CG1-CD2 3.86Å; E736-L777 HydrophobicContact CB-CD1 4.35Å; E736-L777 HydrophobicContact CB-CD2 4.43Å; E736-L777 HydrophobicContact CG-CD1 3.83Å; E736-L777 HydrophobicContact CG-CD2 4.26Å; K737-L777 HydrophobicContact CB-CB 4.39Å; L740-L777 HydrophobicContact CD2-CD1 3.78Å; Q773-L777 WeakPolarHBondContact O-CB 3.4Å; Q773-L777 VanDerWaalsContact O-CG 3.27Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.15Å; L777-A779 VanDerWaalsContact C-N 3.28Å; L777-A779 PolarHBondContact O-N 3.41Å; L777-K780 PolarHBondContact O-N 2.93Å; L777-L781 WeakPolarHBondContact O-CG 3.31Å; L777-L781 PolarHBondContact O-N 2.78Å |
| 778 | K | 96.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -29.4 | 174.1 | -170.9 | 172.8 | -178.2 | 174.5 | 0 | 112.6 | Y774 K775 R782 | Y774-K778 HydrophobicContact CE1-CD 4.4Å; Y774-K778 VanDerWaalsContact O-CB 3.32Å; Y774-K778 WeakPolarHBondContact O-CB 3.19Å; Y774-K778 PolarHBondContact O-N 3.25Å; K775-K778 PolarHBondContact O-N 2.94Å; K778-R782 WeakPolarHBondContact O-CG 3.44Å |
| 779 | A | 96.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.4 | -45.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K775 N776 L777 L781 R782 L783 | K775-A779 PolarHBondContact O-N 3.26Å; N776-A779 WeakPolarHBondContact O-CB 3.47Å; N776-A779 PolarHBondContact O-N 3.25Å; L777-A779 VanDerWaalsContact C-N 3.28Å; L777-A779 PolarHBondContact O-N 3.41Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 2.96Å; A779-R782 PolarHBondContact O-N 3.49Å; A779-R782 VanDerWaalsContact O-N 3.14Å; A779-L783 PolarHBondContact O-N 3.12Å |
| 780 | K | 94.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 176.5 | -175.1 | 172.4 | 174.9 | 164.9 | 0 | 111.7 | M715 L718 V733 N776 L777 L783 L784 | M715-K780 HydrophobicContact CE-CD 3.43Å; M715-K780 VanDerWaalsContact CE-CD 3.43Å; M715-K780 HydrophobicContact CE-CG 3.89Å; M715-K780 HydrophobicContact SD-CB 4.28Å; M715-K780 HydrophobicContact SD-CD 3.83Å; M715-K780 HydrophobicContact SD-CG 3.87Å; L718-K780 HydrophobicContact CD1-CG 4.45Å; V733-K780 HydrophobicContact CG1-CB 4.21Å; V733-K780 HydrophobicContact CG1-CD 4.35Å; V733-K780 HydrophobicContact CG1-CG 4.22Å; V733-K780 HydrophobicContact CG2-CD 3.5Å; V733-K780 HydrophobicContact CG2-CG 3.9Å; N776-K780 WeakPolarHBondContact O-CB 3.4Å; N776-K780 PolarHBondContact O-N 3.42Å; L777-K780 PolarHBondContact O-N 2.93Å; K780-L783 PolarHBondContact O-N 3.42Å; K780-L784 HydrophobicContact CG-CD1 3.97Å; K780-L784 HydrophobicContact CG-CG 4.42Å; K780-L784 WeakPolarHBondContact O-CB 3.43Å; K780-L784 WeakPolarHBondContact O-CG 3.38Å; K780-L784 PolarHBondContact O-N 3.38Å |
| 781 | L | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -51.3 | 173.2 | -74.3 | -176.1 | 0 | 0 | 0 | 112.7 | L730 V733 R734 K737 L777 A779 L783 L784 E785 | L730-L781 HydrophobicContact CD1-CD2 3.92Å; V733-L781 HydrophobicContact CB-CD2 3.73Å; V733-L781 HydrophobicContact CB-CG 4.46Å; V733-L781 HydrophobicContact CG1-CD2 3.44Å; V733-L781 VanDerWaalsContact CG1-CD2 3.44Å; V733-L781 HydrophobicContact CG1-CG 3.63Å; R734-L781 HydrophobicContact CB-CD2 4.48Å; R734-L781 HydrophobicContact CG-CD1 4.28Å; R734-L781 HydrophobicContact CG-CD2 3.56Å; K737-L781 HydrophobicContact CD-CD1 3.49Å; K737-L781 VanDerWaalsContact CD-CD1 3.49Å; L777-L781 WeakPolarHBondContact O-CG 3.31Å; L777-L781 PolarHBondContact O-N 2.78Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 2.96Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.14Å; L781-L784 PolarHBondContact O-N 3.17Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 VanDerWaalsContact O-CG 3.26Å; L781-E785 WeakPolarHBondContact O-CG 3.42Å; L781-E785 PolarHBondContact O-N 2.88Å |
| 782 | R | 96.3 | Very high | 93.4 | Very high | 165 Ų | 165 | 65.8 Ų | 65.8 | 62% | 0.623 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | -179.4 | -70.1 | 165.9 | 168.1 | 170.6 | -10.7 | 112 | K778 A779 A786 | K778-R782 WeakPolarHBondContact O-CG 3.44Å; A779-R782 PolarHBondContact O-N 3.49Å; A779-R782 VanDerWaalsContact O-N 3.14Å; R782-A786 VanDerWaalsContact O-CB 3.24Å; R782-A786 WeakPolarHBondContact O-CB 3.43Å; R782-A786 PolarHBondContact O-N 2.97Å |
| 783 | L | 94.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.1 | 178.4 | 58.6 | 0 | 0 | 0 | 111.4 | L718 A779 K780 L781 A786 L787 | L718-L783 HydrophobicContact CD1-CD2 3.88Å; L718-L783 HydrophobicContact CD1-CG 4.29Å; A779-L783 PolarHBondContact O-N 3.12Å; K780-L783 PolarHBondContact O-N 3.42Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.14Å; L783-A786 PolarHBondContact O-N 3.01Å; L783-L787 HydrophobicContact CD1-CD1 3.9Å; L783-L787 HydrophobicContact CD1-CG 4.08Å; L783-L787 HydrophobicContact CG-CD1 3.93Å; L783-L787 WeakPolarHBondContact O-CB 3.32Å; L783-L787 VanDerWaalsContact O-CG 3.26Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.31Å |
| 784 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.2 | -68.7 | 167.2 | 0 | 0 | 0 | 111.9 | L718 L726 H729 L730 V733 K780 L781 L787 L788 | L718-L784 HydrophobicContact CD1-CD2 3.83Å; L718-L784 HydrophobicContact CD1-CG 4.24Å; L718-L784 HydrophobicContact CD2-CD2 3.56Å; L718-L784 HydrophobicContact CG-CD2 4.35Å; L726-L784 HydrophobicContact CD1-CD2 3.47Å; L726-L784 VanDerWaalsContact CD1-CD2 3.47Å; L726-L784 HydrophobicContact CG-CD2 4.21Å; H729-L784 HydrophobicContact CB-CD1 4.01Å; H729-L784 HydrophobicContact CB-CD2 3.74Å; L730-L784 HydrophobicContact CD1-CB 4.04Å; V733-L784 HydrophobicContact CB-CD1 4.25Å; V733-L784 HydrophobicContact CG2-CD1 3.92Å; K780-L784 HydrophobicContact CG-CD1 3.97Å; K780-L784 HydrophobicContact CG-CG 4.42Å; K780-L784 WeakPolarHBondContact O-CB 3.43Å; K780-L784 WeakPolarHBondContact O-CG 3.38Å; K780-L784 PolarHBondContact O-N 3.38Å; L781-L784 PolarHBondContact O-N 3.17Å; L784-L787 PolarHBondContact O-N 2.99Å; L784-L788 WeakPolarHBondContact O-CB 3.47Å; L784-L788 WeakPolarHBondContact O-CD1 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.25Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 3.07Å |
| 785 | E | 94.1 | Very high | 89 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 179.2 | -70.8 | 163.6 | 167.9 | 0 | 0 | 111.4 | L730 R734 L781 S789 | L730-E785 HydrophobicContact CD1-CG 3.65Å; R734-E785 IonicContact CZ-OE1 3.67Å; R734-E785 IonicContact NE-OE1 2.76Å; R734-E785 PolarHBondContact NE-OE1 2.87Å; R734-E785 IonicContact NH2-OE1 2.88Å; R734-E785 PolarHBondContact NH2-OE1 2.89Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 VanDerWaalsContact O-CG 3.26Å; L781-E785 WeakPolarHBondContact O-CG 3.42Å; L781-E785 PolarHBondContact O-N 2.88Å; E785-S789 WeakPolarHBondContact O-CB 3.14Å; E785-S789 PolarHBondContact O-N 3.47Å |
| 786 | A | 94.9 | Very high | 86.9 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R782 L783 S789 K790 | R782-A786 VanDerWaalsContact O-CB 3.24Å; R782-A786 WeakPolarHBondContact O-CB 3.43Å; R782-A786 PolarHBondContact O-N 2.97Å; L783-A786 PolarHBondContact O-N 3.01Å; A786-S789 PolarHBondContact O-N 3.22Å; A786-K790 WeakPolarHBondContact O-CG 3.42Å; A786-K790 PolarHBondContact O-N 2.74Å |
| 787 | L | 92.6 | Very high | 84.5 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 17% | 0.168 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.1 | -72.8 | 168.8 | 0 | 0 | 0 | 111.4 | L718 H719 L726 L783 L784 K790 Q791 | L718-L787 HydrophobicContact CB-CD1 4.16Å; H719-L787 HydrophobicContact CB-CD2 4.42Å; L726-L787 HydrophobicContact CD1-CB 4.21Å; L726-L787 HydrophobicContact CD1-CD1 4.15Å; L726-L787 HydrophobicContact CD2-CB 3.69Å; L726-L787 HydrophobicContact CG-CB 4.5Å; L783-L787 HydrophobicContact CD1-CD1 3.9Å; L783-L787 HydrophobicContact CD1-CG 4.08Å; L783-L787 HydrophobicContact CG-CD1 3.93Å; L783-L787 WeakPolarHBondContact O-CB 3.32Å; L783-L787 VanDerWaalsContact O-CG 3.26Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.31Å; L784-L787 PolarHBondContact O-N 2.99Å; L787-K790 PolarHBondContact O-N 2.55Å; L787-Q791 WeakPolarHBondContact O-CG 3.28Å; L787-Q791 PolarHBondContact O-N 2.99Å |
| 788 | L | 91.3 | Very high | 83.9 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 173 | -74.2 | 163.1 | 0 | 0 | 0 | 111.1 | R723 L726 L727 L730 L784 K790 Q791 D792 | R723-L788 HydrophobicContact CG-CD2 4.27Å; L726-L788 HydrophobicContact CB-CD2 4.08Å; L726-L788 HydrophobicContact CD2-CB 4.41Å; L726-L788 HydrophobicContact CD2-CD2 3.71Å; L726-L788 HydrophobicContact CD2-CG 3.62Å; L726-L788 HydrophobicContact CG-CD2 3.96Å; L726-L788 HydrophobicContact CG-CG 3.87Å; L727-L788 HydrophobicContact CD2-CD1 4.02Å; L727-L788 HydrophobicContact CD2-CD2 3.87Å; L727-L788 HydrophobicContact CG-CD2 3.96Å; L730-L788 HydrophobicContact CB-CD1 4.39Å; L730-L788 HydrophobicContact CD2-CD1 3.7Å; L730-L788 HydrophobicContact CG-CD1 4.48Å; L784-L788 WeakPolarHBondContact O-CB 3.47Å; L784-L788 WeakPolarHBondContact O-CD1 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.25Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 3.07Å; L788-K790 PolarHBondContact O-N 3.27Å; L788-Q791 PolarHBondContact O-N 2.88Å; L788-Q791 VanDerWaalsContact O-N 3.13Å; L788-D792 PolarHBondContact O-N 3.07Å |
| 789 | S | 91.3 | Very high | 83.3 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.9 | -34.1 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 113 | E785 A786 S793 | E785-S789 WeakPolarHBondContact O-CB 3.14Å; E785-S789 PolarHBondContact O-N 3.47Å; A786-S789 PolarHBondContact O-N 3.22Å; S789-S793 PolarHBondContact O-N 2.71Å |
| 790 | K | 89.9 | Confident | 82.6 | Confident | 144 Ų | 144 | 77.7 Ų | 77.7 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.3 | -50.4 | 173 | -75.8 | -177 | 174.5 | -167.2 | 0 | 111.9 | A786 L787 L788 D792 S793 T794 | A786-K790 WeakPolarHBondContact O-CG 3.42Å; A786-K790 PolarHBondContact O-N 2.74Å; L787-K790 PolarHBondContact O-N 2.55Å; L788-K790 PolarHBondContact O-N 3.27Å; K790-D792 PolarHBondContact O-N 2.85Å; K790-S793 PolarHBondContact O-N 3.45Å; K790-S793 PolarHBondContact O-OG 3.1Å; K790-T794 PolarHBondContact O-N 2.84Å; K790-T794 PolarHBondContact O-OG1 2.84Å |
| 791 | Q | 83.8 | Confident | 81.9 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.22 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -27.6 | 179.1 | -72.7 | -179.1 | -5 | 0 | 0 | 113.3 | A721 R723 L787 L788 T794 | A721-Q791 PolarHBondContact O-NE2 3.02Å; R723-Q791 VanDerWaalsContact CA-OE1 3.25Å; L787-Q791 WeakPolarHBondContact O-CG 3.28Å; L787-Q791 PolarHBondContact O-N 2.99Å; L788-Q791 PolarHBondContact O-N 2.88Å; L788-Q791 VanDerWaalsContact O-N 3.13Å; Q791-T794 WeakPolarHBondContact CA-OG1 3.45Å; Q791-T794 PolarHBondContact O-OG1 3.36Å |
| 792 | D | 78.1 | Confident | 81 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.8 | -40.5 | 172.6 | -70.6 | -31 | 0 | 0 | 0 | 112.4 | R723 L788 K790 T794 K795 A796 | R723-D792 IonicContact CZ-OD1 2.57Å; R723-D792 IonicContact CZ-OD2 3.13Å; R723-D792 IonicContact NE-OD1 2.79Å; R723-D792 PolarHBondContact NE-OD1 2.95Å; R723-D792 IonicContact NE-OD2 2.74Å; R723-D792 IonicContact NH2-OD1 3.15Å; R723-D792 PolarHBondContact NH2-OD1 3.34Å; R723-D792 IonicContact NH2-OD2 2.71Å; R723-D792 PolarHBondContact NH2-OD2 2.9Å; L788-D792 PolarHBondContact O-N 3.07Å; K790-D792 PolarHBondContact O-N 2.85Å; D792-T794 VanDerWaalsContact C-N 3.29Å; D792-T794 PolarHBondContact O-N 2.57Å; D792-K795 PolarHBondContact O-N 2.79Å; D792-K795 VanDerWaalsContact O-N 3.07Å; D792-A796 PolarHBondContact O-N 2.68Å |
| 793 | S | 71 | Confident | 80 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | S789 K790 K795 A796 | S789-S793 PolarHBondContact O-N 2.71Å; K790-S793 PolarHBondContact O-N 3.45Å; K790-S793 PolarHBondContact O-OG 3.1Å; S793-K795 PolarHBondContact O-N 3.26Å; S793-K795 VanDerWaalsContact O-N 3.09Å; S793-A796 PolarHBondContact O-N 3.05Å; S793-A796 VanDerWaalsContact O-N 3.12Å |
| 794 | T | 65.7 | Low | 78.9 | Confident | 102 Ų | 102 | 78.4 Ų | 78.4 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 9.8 | 174.9 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | K790 Q791 D792 | K790-T794 PolarHBondContact O-N 2.84Å; K790-T794 PolarHBondContact O-OG1 2.84Å; Q791-T794 WeakPolarHBondContact CA-OG1 3.45Å; Q791-T794 PolarHBondContact O-OG1 3.36Å; D792-T794 VanDerWaalsContact C-N 3.29Å; D792-T794 PolarHBondContact O-N 2.57Å |
| 795 | K | 59.5 | Low | 77.7 | Confident | 167 Ų | 167 | 84.4 Ų | 84.4 | 73% | 0.726 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 3.4 | 169.6 | -66.1 | -169.1 | 174.6 | -159.9 | 0 | 113.1 | D792 S793 | D792-K795 PolarHBondContact O-N 2.79Å; D792-K795 VanDerWaalsContact O-N 3.07Å; S793-K795 PolarHBondContact O-N 3.26Å; S793-K795 VanDerWaalsContact O-N 3.09Å |
| 796 | A | 53.8 | Low | 76.4 | Confident | 85 Ų | 85 | 85.4 Ų | 85.4 | 70% | 0.702 | 51% | 0.511 | S | S | * | . | trans | -112.3 | 17.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D792 S793 | D792-A796 PolarHBondContact O-N 2.68Å; S793-A796 PolarHBondContact O-N 3.05Å; S793-A796 VanDerWaalsContact O-N 3.12Å | ||
| 797 | S | 44.6 | Very low | 74.7 | Confident | 166 Ų | 166 | 88.5 Ų | 88.5 | 100% | 1.161 | 52% | 0.519 | S | S | * | . | trans | -140.3 | 0 | 167.1 | -56.2 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 797 of 797 residues in 394.9 ms
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