| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.8 | Very low | 58.2 | Low | 243 Ų | 243 | 109.8 Ų | 109.8 | 100% | 1.197 | 62% | 0.621 | S | S | * | * | 0 | 116 | 0 | -61.9 | 173.4 | 83.4 | 0 | 0 | 108.7 | G3 | M1-G3 PolarHBondContact O-N 2.67Š| |||
| 2 | C | 31.3 | Very low | 60.6 | Low | 135 Ų | 135 | 108.9 Ų | 108.9 | 91% | 0.912 | 61% | 0.608 | S | S | * | * | trans | -78.3 | 105.8 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | R4 | C2-R4 PolarHBondContact O-N 2.95Š| ||
| 3 | G | 29.9 | Very low | 62.8 | Low | 70 Ų | 70 | 101 Ų | 101 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 123.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | M1 P5 | M1-G3 PolarHBondContact O-N 2.67Å; G3-P5 WeakPolarHBondContact O-CD 3.33Å |
| 4 | R | 38.3 | Very low | 64.4 | Low | 244 Ų | 244 | 96.5 Ų | 96.5 | 92% | 0.921 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -53 | 124.3 | 175.7 | -73.5 | -174.4 | 176.1 | -166.7 | -0.5 | 108.6 | C2 G6 | C2-R4 PolarHBondContact O-N 2.95Å; R4-G6 PolarHBondContact O-N 3.44Å |
| 5 | P | 51 | Low | 65.8 | Low | 121 Ų | 121 | 98.9 Ų | 98.9 | 79% | 0.786 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 134 | 179.8 | -30.3 | 36 | 0 | 0 | 0 | 111.7 | G3 M7 | G3-P5 WeakPolarHBondContact O-CD 3.33Å; P5-M7 PolarHBondContact O-N 3.36Å |
| 6 | G | 61.8 | Low | 67.2 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 141.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | R4 E8 | R4-G6 PolarHBondContact O-N 3.44Å; G6-E8 PolarHBondContact O-N 3.39Å |
| 7 | M | 67.5 | Low | 68.3 | Low | 35 Ų | 35 | 94.8 Ų | 94.8 | 17% | 0.172 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 125.9 | 176.2 | -176.9 | 168.2 | 167.2 | 0 | 0 | 109.1 | P5 F637 R640 R641 K644 | P5-M7 PolarHBondContact O-N 3.36Å; M7-F637 HydrophobicContact CE-CD2 3.6Å; M7-F637 HydrophobicContact CE-CE2 3.6Å; M7-F637 HydrophobicContact CE-CG 4.22Å; M7-F637 HydrophobicContact CE-CZ 4.19Å; M7-R640 HydrophobicContact CE-CB 3.95Å; M7-R640 HydrophobicContact SD-CB 4.48Å; M7-R641 HydrophobicContact CE-CB 4.06Å; M7-R641 PolarHBondContact O-NH1 2.96Å; M7-R641 HydrophobicContact SD-CB 4.36Å; M7-R641 VanDerWaalsContact SD-CD 3.5Å; M7-K644 HydrophobicContact CB-CD 3.9Å; M7-K644 HydrophobicContact CG-CD 4.34Å; M7-K644 HydrophobicContact SD-CD 3.73Å |
| 8 | E | 78.9 | Confident | 69.2 | Low | 33 Ų | 33 | 95.1 Ų | 95.1 | 15% | 0.154 | 52% | 0.515 | C | S | . | . | trans | -30.3 | 136.7 | 174.8 | 55.1 | -177.5 | 167.8 | 0 | 0 | 112.4 | G6 E12 F13 R16 F637 R641 | G6-E8 PolarHBondContact O-N 3.39Å; E8-E12 WeakPolarHBondContact CA-OE2 3.45Å; E8-E12 HydrophobicContact CB-CG 4.39Å; E8-F13 HydrophobicContact CG-CB 4.15Å; E8-F13 WeakPolarHBondContact OE1-CD2 3.37Å; E8-R16 IonicContact OE1-NH2 3.77Å; E8-R16 PolarHBondContact OE1-NH2 3.3Å; E8-R16 IonicContact OE2-CZ 3.64Å; E8-R16 VanDerWaalsContact OE2-CZ 3.26Å; E8-R16 IonicContact OE2-NE 3.12Å; E8-R16 PolarHBondContact OE2-NE 3.31Å; E8-R16 IonicContact OE2-NH2 2.68Å; E8-R16 PolarHBondContact OE2-NH2 2.96Å; E8-F637 HydrophobicContact CG-CD2 4.44Å; E8-F637 HydrophobicContact CG-CE2 4.09Å; E8-R641 PolarHBondContact O-NH1 3.19Å | ||
| 9 | S | 81.8 | Confident | 70.1 | Confident | 45 Ų | 45 | 92 Ų | 92 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | trans | -59.9 | 160 | 174.2 | 115.6 | 0 | 0 | 0 | 0 | 109.5 | E11 E12 F13 | S9-E11 VanDerWaalsContact CB-OE2 3.31Å; S9-E11 WeakPolarHBondContact CB-OE2 3.46Å; S9-E11 WeakPolarHBondContact OG-CB 3.46Å; S9-E11 PolarHBondContact OG-N 3.14Å; S9-E11 PolarHBondContact OG-OE2 2.94Å; S9-E12 PolarHBondContact N-OE2 3.18Å; S9-E12 WeakPolarHBondContact OG-CB 3.31Å; S9-E12 PolarHBondContact OG-N 2.88Å; S9-F13 WeakPolarHBondContact O-CB 3.27Å; S9-F13 PolarHBondContact O-N 3.27Å | ||
| 10 | Y | 82.4 | Confident | 70.7 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 37% | 0.373 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 178.1 | 174.1 | -108 | 0 | 0 | 0 | 110.4 | C14 F637 | Y10-C14 WeakPolarHBondContact O-CB 3.42Å; Y10-C14 PolarHBondContact O-N 3.4Å; Y10-C14 PolarHBondContact O-SG 3.44Å; Y10-F637 HydrophobicContact CD2-CD1 4.33Å; Y10-F637 AromaticContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CZ 4.04Å |
| 11 | E | 85 | Confident | 71.2 | Confident | 114 Ų | 114 | 90 Ų | 90 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -49 | 179 | -51.2 | 66 | -144 | 0 | 0 | 110.1 | S9 C14 M15 | S9-E11 VanDerWaalsContact CB-OE2 3.31Å; S9-E11 WeakPolarHBondContact CB-OE2 3.46Å; S9-E11 WeakPolarHBondContact OG-CB 3.46Å; S9-E11 PolarHBondContact OG-N 3.14Å; S9-E11 PolarHBondContact OG-OE2 2.94Å; E11-C14 WeakPolarHBondContact O-CB 3.32Å; E11-C14 PolarHBondContact O-N 3.21Å; E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 3.01Å |
| 12 | E | 86.9 | Confident | 73.2 | Confident | 99 Ų | 99 | 84.5 Ų | 84.5 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 171.2 | -179.2 | -173.5 | -168.9 | 0 | 0 | 112.1 | E8 S9 C14 M15 R16 | E8-E12 WeakPolarHBondContact CA-OE2 3.45Å; E8-E12 HydrophobicContact CB-CG 4.39Å; S9-E12 PolarHBondContact N-OE2 3.18Å; S9-E12 WeakPolarHBondContact OG-CB 3.31Å; S9-E12 PolarHBondContact OG-N 2.88Å; E12-C14 VanDerWaalsContact C-N 3.32Å; E12-C14 PolarHBondContact O-N 3.41Å; E12-M15 PolarHBondContact O-N 3.11Å; E12-R16 VanDerWaalsContact O-CB 3.22Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.6Å |
| 13 | F | 88.3 | Confident | 75 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 174.2 | 167.4 | -103.5 | 0 | 0 | 0 | 111.9 | E8 S9 S17 M633 F637 | E8-F13 HydrophobicContact CG-CB 4.15Å; E8-F13 WeakPolarHBondContact OE1-CD2 3.37Å; S9-F13 WeakPolarHBondContact O-CB 3.27Å; S9-F13 PolarHBondContact O-N 3.27Å; F13-S17 WeakPolarHBondContact CE2-OG 3.47Å; F13-S17 WeakPolarHBondContact CZ-OG 3.36Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 2.92Å; F13-S17 PolarHBondContact O-OG 2.84Å; F13-M633 HydrophobicContact CZ-CB 4.3Å; F13-M633 WeakPolarHBondContact CZ-O 3.3Å; F13-F637 HydrophobicContact CB-CD2 3.75Å; F13-F637 HydrophobicContact CB-CE2 3.6Å; F13-F637 HydrophobicContact CB-CZ 4.45Å; F13-F637 HydrophobicContact CD1-CB 4.03Å; F13-F637 HydrophobicContact CD1-CD1 4.25Å; F13-F637 AromaticContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CE2 4.03Å; F13-F637 AromaticContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD2-CB 4.21Å; F13-F637 AromaticContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CE2 4.32Å; F13-F637 HydrophobicContact CD2-CG 4.19Å; F13-F637 HydrophobicContact CE1-CB 3.61Å; F13-F637 HydrophobicContact CE1-CD1 4.42Å; F13-F637 HydrophobicContact CE1-CD2 4.08Å; F13-F637 AromaticContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE2-CB 3.83Å; F13-F637 HydrophobicContact CE2-CD2 4.09Å; F13-F637 HydrophobicContact CE2-CG 4.3Å; F13-F637 HydrophobicContact CG-CB 4.31Å; F13-F637 AromaticContact CG-CD2 3.29Å; F13-F637 HydrophobicContact CG-CD2 3.29Å; F13-F637 AromaticContact CG-CE2 3.7Å; F13-F637 HydrophobicContact CG-CE2 3.7Å; F13-F637 AromaticContact CG-CG 3.9Å; F13-F637 HydrophobicContact CG-CG 3.9Å; F13-F637 HydrophobicContact CZ-CB 3.51Å; F13-F637 HydrophobicContact CZ-CD2 4.33Å; F13-F637 HydrophobicContact CZ-CG 4.12Å |
| 14 | C | 85.2 | Confident | 76.4 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 176.7 | -80.3 | 0 | 0 | 0 | 0 | 111.7 | Y10 E11 E12 R16 S17 L18 | Y10-C14 WeakPolarHBondContact O-CB 3.42Å; Y10-C14 PolarHBondContact O-N 3.4Å; Y10-C14 PolarHBondContact O-SG 3.44Å; E11-C14 WeakPolarHBondContact O-CB 3.32Å; E11-C14 PolarHBondContact O-N 3.21Å; E12-C14 VanDerWaalsContact C-N 3.32Å; E12-C14 PolarHBondContact O-N 3.41Å; C14-R16 PolarHBondContact O-N 3.07Å; C14-S17 PolarHBondContact O-N 3.18Å; C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 VanDerWaalsContact O-CG 3.28Å; C14-L18 WeakPolarHBondContact O-CG 3.26Å; C14-L18 PolarHBondContact O-N 2.94Å |
| 15 | M | 86.2 | Confident | 77.2 | Confident | 133 Ų | 133 | 76.2 Ų | 76.2 | 66% | 0.655 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59 | -49.6 | 177.7 | -69.8 | -175.4 | -65.4 | 0 | 0 | 111.5 | E11 E12 S17 L18 A19 | E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 3.01Å; E12-M15 PolarHBondContact O-N 3.11Å; M15-S17 VanDerWaalsContact C-N 3.3Å; M15-S17 PolarHBondContact O-N 3.36Å; M15-L18 PolarHBondContact O-N 3.18Å; M15-A19 PolarHBondContact O-N 3.33Å |
| 16 | R | 88.7 | Confident | 77 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 177.5 | -168.5 | 180 | 66.4 | 72.4 | -2.8 | 112.4 | E8 E12 C14 M20 | E8-R16 IonicContact OE1-NH2 3.77Å; E8-R16 PolarHBondContact OE1-NH2 3.3Å; E8-R16 IonicContact OE2-CZ 3.64Å; E8-R16 VanDerWaalsContact OE2-CZ 3.26Å; E8-R16 IonicContact OE2-NE 3.12Å; E8-R16 PolarHBondContact OE2-NE 3.31Å; E8-R16 IonicContact OE2-NH2 2.68Å; E8-R16 PolarHBondContact OE2-NH2 2.96Å; E12-R16 VanDerWaalsContact O-CB 3.22Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.6Å; C14-R16 PolarHBondContact O-N 3.07Å; R16-M20 WeakPolarHBondContact O-CB 3.29Å; R16-M20 WeakPolarHBondContact O-CG 3.24Å; R16-M20 PolarHBondContact O-N 3.2Å; R16-M20 VanDerWaalsContact O-N 3.13Å |
| 17 | S | 85.9 | Confident | 76.3 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.5 | -39.4 | 176.2 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | F13 C14 M15 L21 M633 | F13-S17 WeakPolarHBondContact CE2-OG 3.47Å; F13-S17 WeakPolarHBondContact CZ-OG 3.36Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 2.92Å; F13-S17 PolarHBondContact O-OG 2.84Å; C14-S17 PolarHBondContact O-N 3.18Å; M15-S17 VanDerWaalsContact C-N 3.3Å; M15-S17 PolarHBondContact O-N 3.36Å; S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.26Å; S17-L21 PolarHBondContact O-N 3.42Å; S17-L21 VanDerWaalsContact O-N 3.08Å; S17-M633 VanDerWaalsContact CB-CE 3.48Å; S17-M633 WeakPolarHBondContact OG-CE 3.48Å |
| 18 | L | 84.2 | Confident | 75.3 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 176.8 | -71.8 | 168.3 | 0 | 0 | 0 | 111.3 | C14 M15 M20 L21 Q22 | C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 VanDerWaalsContact O-CG 3.28Å; C14-L18 WeakPolarHBondContact O-CG 3.26Å; C14-L18 PolarHBondContact O-N 2.94Å; M15-L18 PolarHBondContact O-N 3.18Å; L18-M20 PolarHBondContact O-N 2.83Å; L18-L21 CarbonylContact O-C 3.6Å; L18-L21 PolarHBondContact O-N 2.59Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-Q22 WeakPolarHBondContact O-CG 3.1Å; L18-Q22 PolarHBondContact O-N 3.01Å |
| 19 | A | 85.3 | Confident | 73.9 | Confident | 37 Ų | 37 | 90.6 Ų | 90.6 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M15 L21 Q22 E23 | M15-A19 PolarHBondContact O-N 3.33Å; A19-L21 VanDerWaalsContact C-N 3.25Å; A19-L21 PolarHBondContact O-N 3.46Å; A19-Q22 PolarHBondContact O-N 2.99Å; A19-E23 WeakPolarHBondContact O-CB 3.45Å; A19-E23 PolarHBondContact O-N 2.91Å |
| 20 | M | 82.1 | Confident | 71.6 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 53% | 0.527 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.2 | -36.3 | 174.6 | -74.5 | -75 | -61.7 | 0 | 0 | 113.3 | R16 L18 G24 | R16-M20 WeakPolarHBondContact O-CB 3.29Å; R16-M20 WeakPolarHBondContact O-CG 3.24Å; R16-M20 PolarHBondContact O-N 3.2Å; R16-M20 VanDerWaalsContact O-N 3.13Å; L18-M20 PolarHBondContact O-N 2.83Å; M20-G24 PolarHBondContact O-N 2.95Å |
| 21 | L | 81 | Confident | 69.3 | Low | 36 Ų | 36 | 93.4 Ų | 93.4 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -76.9 | -26.7 | 177.8 | -72.4 | 166.4 | 0 | 0 | 0 | 113.1 | S17 L18 A19 Q629 I630 M633 | S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.26Å; S17-L21 PolarHBondContact O-N 3.42Å; S17-L21 VanDerWaalsContact O-N 3.08Å; L18-L21 CarbonylContact O-C 3.6Å; L18-L21 PolarHBondContact O-N 2.59Å; L18-L21 VanDerWaalsContact O-N 3.11Å; A19-L21 VanDerWaalsContact C-N 3.25Å; A19-L21 PolarHBondContact O-N 3.46Å; L21-Q629 HydrophobicContact CD2-CG 4.01Å; L21-I630 HydrophobicContact CD1-CD1 4.43Å; L21-I630 HydrophobicContact CD1-CG1 3.78Å; L21-M633 HydrophobicContact CD1-SD 4.2Å; L21-M633 HydrophobicContact CD2-SD 4.22Å; L21-M633 HydrophobicContact CG-SD 4.27Å |
| 22 | Q | 76.4 | Confident | 66.7 | Low | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -78.4 | -47.8 | 173.6 | -71.6 | 164.8 | -26.5 | 0 | 0 | 110.9 | L18 A19 G24 K25 L26 | L18-Q22 WeakPolarHBondContact O-CG 3.1Å; L18-Q22 PolarHBondContact O-N 3.01Å; A19-Q22 PolarHBondContact O-N 2.99Å; Q22-G24 PolarHBondContact O-N 2.9Å; Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.33Å; Q22-L26 PolarHBondContact O-N 3.44Å |
| 23 | E | 68.8 | Low | 64.4 | Low | 77 Ų | 77 | 97.1 Ų | 97.1 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.4 | -40.1 | 170.8 | -75.3 | -177.7 | -126.4 | 0 | 0 | 112.1 | A19 K25 L26 K27 | A19-E23 WeakPolarHBondContact O-CB 3.45Å; A19-E23 PolarHBondContact O-N 2.91Å; E23-K25 PolarHBondContact O-N 3.01Å; E23-K25 VanDerWaalsContact O-N 3.13Å; E23-L26 PolarHBondContact O-N 3.3Å; E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE2-NZ 3.15Å; E23-K27 PolarHBondContact OE2-NZ 3.37Å |
| 24 | G | 58.1 | Low | 62.1 | Low | 39 Ų | 39 | 103.8 Ų | 103.8 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -9.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | M20 Q22 K28 | M20-G24 PolarHBondContact O-N 2.95Å; Q22-G24 PolarHBondContact O-N 2.9Å; G24-K28 WeakPolarHBondContact O-CG 3.47Å |
| 25 | K | 55.3 | Low | 59.7 | Low | 159 Ų | 159 | 107.4 Ų | 107.4 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -95.2 | -32.5 | 167.6 | -64.8 | -179.3 | 179.8 | -174.1 | 0 | 112.4 | Q22 E23 | Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.33Å; E23-K25 PolarHBondContact O-N 3.01Å; E23-K25 VanDerWaalsContact O-N 3.13Å |
| 26 | L | 46.3 | Very low | 57.5 | Low | 120 Ų | 120 | 105.5 Ų | 105.5 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.6 | -48.1 | 177.7 | -70.9 | 166.3 | 0 | 0 | 0 | 111.9 | Q22 E23 K28 K29 | Q22-L26 PolarHBondContact O-N 3.44Å; E23-L26 PolarHBondContact O-N 3.3Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact O-N 3.1Å; L26-K29 WeakPolarHBondContact O-CB 3.41Å; L26-K29 PolarHBondContact O-N 2.9Å |
| 27 | K | 47.2 | Very low | 55.5 | Low | 115 Ų | 115 | 105.6 Ų | 105.6 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.4 | -23.3 | -180 | -73.6 | 167.1 | 174.6 | 165.3 | 0 | 113 | E23 K29 T30 C31 | E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE2-NZ 3.15Å; E23-K27 PolarHBondContact OE2-NZ 3.37Å; K27-K29 PolarHBondContact O-N 3.26Å; K27-T30 PolarHBondContact O-N 2.92Å; K27-C31 VanDerWaalsContact O-CB 3.24Å; K27-C31 WeakPolarHBondContact O-CB 3.23Å; K27-C31 PolarHBondContact O-N 3.04Å; K27-C31 PolarHBondContact O-SG 2.7Å |
| 28 | K | 48.2 | Very low | 53.6 | Low | 146 Ų | 146 | 114.3 Ų | 114.3 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.1 | -13.4 | 170.2 | -73.6 | -177.8 | 180 | -175.8 | 0 | 115 | G24 L26 | G24-K28 WeakPolarHBondContact O-CG 3.47Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact O-N 3.1Å |
| 29 | K | 48.7 | Very low | 52.1 | Low | 184 Ų | 184 | 114.5 Ų | 114.5 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -103.9 | -15.3 | -179.2 | -63.2 | -168.1 | 174 | -166.8 | 0 | 113.9 | L26 K27 | L26-K29 WeakPolarHBondContact O-CB 3.41Å; L26-K29 PolarHBondContact O-N 2.9Å; K27-K29 PolarHBondContact O-N 3.26Å |
| 30 | T | 34.2 | Very low | 50.9 | Low | 122 Ų | 122 | 115 Ų | 115 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -128.2 | -6.7 | -178.9 | 38.2 | 0 | 0 | 0 | 0 | 114.4 | K27 E32 | K27-T30 PolarHBondContact O-N 2.92Å; T30-E32 PolarHBondContact O-N 3.18Å |
| 31 | C | 33 | Very low | 50.2 | Low | 76 Ų | 76 | 111 Ų | 111 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -70.7 | 115.6 | 152.6 | -69.3 | 0 | 0 | 0 | 0 | 108.1 | K27 | K27-C31 VanDerWaalsContact O-CB 3.24Å; K27-C31 WeakPolarHBondContact O-CB 3.23Å; K27-C31 PolarHBondContact O-N 3.04Å; K27-C31 PolarHBondContact O-SG 2.7Å |
| 32 | E | 30.6 | Very low | 49.6 | Very low | 170 Ų | 170 | 116 Ų | 116 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | trans | -46.7 | 151.9 | 155 | -70.3 | -170 | 127.8 | 0 | 0 | 110.4 | T30 L34 | T30-E32 PolarHBondContact O-N 3.18Å; E32-L34 PolarHBondContact O-N 3.5Å | ||
| 33 | P | 38.1 | Very low | 49.5 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | trans | -64.5 | 99.4 | -176.4 | 26.9 | -35 | 0 | 0 | 0 | 110.7 | C35 | P33-C35 PolarHBondContact O-N 3.45Š| ||
| 34 | L | 40.8 | Very low | 50.1 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 76% | 0.759 | 65% | 0.645 | S | S | * | * | trans | -45.4 | 112.9 | 166 | -107.7 | 116.3 | 0 | 0 | 0 | 108.1 | E32 S36 | E32-L34 PolarHBondContact O-N 3.5Å; L34-S36 PolarHBondContact O-N 3.15Å | ||
| 35 | C | 35 | Very low | 50.6 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 78% | 0.777 | 66% | 0.656 | S | S | * | * | trans | -44.6 | 127.6 | -165.8 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | P33 L37 | P33-C35 PolarHBondContact O-N 3.45Å; C35-L37 PolarHBondContact O-N 3.44Å | ||
| 36 | S | 40 | Very low | 51.4 | Low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | trans | -56.5 | 100.3 | -157.9 | 64 | 0 | 0 | 0 | 0 | 113.1 | L34 K38 | L34-S36 PolarHBondContact O-N 3.15Å; S36-K38 PolarHBondContact O-N 3.46Å | ||
| 37 | L | 46.8 | Very low | 52.9 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | trans | -73.8 | 57.7 | 177.2 | -76.9 | 167.4 | 0 | 0 | 0 | 111.4 | C35 | C35-L37 PolarHBondContact O-N 3.44Š| ||
| 38 | K | 44.8 | Very low | 54.3 | Low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | trans | -73.8 | -20.1 | 161.8 | -69.5 | -179.5 | 176.2 | 176.6 | 0 | 111 | S36 G40 | S36-K38 PolarHBondContact O-N 3.46Å; K38-G40 PolarHBondContact O-N 3.35Å; K38-G40 VanDerWaalsContact O-N 3.07Å | ||
| 39 | T | 53.2 | Low | 55.8 | Low | 104 Ų | 104 | 122 Ų | 122 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | trans | -71.8 | 88.4 | 165.3 | 29.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 40 | G | 59.7 | Low | 57.3 | Low | 47 Ų | 47 | 117.4 Ų | 117.4 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | trans | -58.3 | 160.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K38 | K38-G40 PolarHBondContact O-N 3.35Å; K38-G40 VanDerWaalsContact O-N 3.07Å | ||
| 41 | S | 68.4 | Low | 59.3 | Low | 23 Ų | 23 | 119.2 Ų | 119.2 | 16% | 0.161 | 64% | 0.643 | C | S | . | * | trans | -58.8 | 142.5 | -178.6 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | I43 P49 I50 | S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 PolarHBondContact OG-O 3.35Å; S41-P49 WeakPolarHBondContact OG-CB 3.41Å; S41-I50 WeakPolarHBondContact CB-O 3.48Å; S41-I50 PolarHBondContact OG-N 3.48Å; S41-I50 PolarHBondContact OG-O 3.32Å | ||
| 42 | V | 69 | Low | 61.1 | Low | 141 Ų | 141 | 120 Ų | 120 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -68.5 | -32.3 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | R44 | V42-R44 PolarHBondContact O-N 2.98Š|
| 43 | I | 73.3 | Confident | 63.1 | Low | 122 Ų | 122 | 116.4 Ų | 116.4 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | trans | -75.4 | 119.5 | 177.1 | -45.9 | 178 | 0 | 0 | 0 | 109.2 | S41 I50 | S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 PolarHBondContact OG-O 3.35Å; I43-I50 HydrophobicContact CB-CD1 4.21Å; I43-I50 HydrophobicContact CG2-CD1 3.59Å; I43-I50 HydrophobicContact CG2-CG1 4.43Å; I43-I50 PolarHBondContact O-N 3.25Å | ||
| 44 | R | 81.4 | Confident | 64.9 | Low | 169 Ų | 169 | 119.1 Ų | 119.1 | 64% | 0.638 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.9 | -178.2 | -65.2 | 174.6 | -179.9 | -122.7 | 10 | 111.3 | V42 G47 R48 | V42-R44 PolarHBondContact O-N 2.98Å; R44-G47 PolarHBondContact NH1-O 3.08Å; R44-R48 CarbonylContact C-O 3.59Å; R44-R48 WeakPolarHBondContact CA-O 3.29Å |
| 45 | F | 68.3 | Low | 66.7 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 63% | 0.627 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.6 | 171.9 | -160.5 | -105.6 | 0 | 0 | 0 | 108.9 | G47 R48 I50 | F45-G47 PolarHBondContact O-N 3.43Å; F45-R48 PolarHBondContact N-O 3.5Å; F45-R48 PolarHBondContact O-N 3.15Å; F45-I50 HydrophobicContact CB-CG1 4.27Å |
| 46 | H | 72.1 | Confident | 69 | Low | 164 Ų | 164 | 118 Ų | 118 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 44.5 | 47.2 | -167.7 | -56.6 | -64.6 | 0 | 0 | 0 | 113.4 | R48 | H46-R48 PolarHBondContact O-N 3.2Š|
| 47 | G | 78 | Confident | 70.7 | Confident | 52 Ų | 52 | 117.4 Ų | 117.4 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.3 | -16.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R44 F45 | R44-G47 PolarHBondContact NH1-O 3.08Å; F45-G47 PolarHBondContact O-N 3.43Å |
| 48 | R | 75.9 | Confident | 72.5 | Confident | 196 Ų | 196 | 118.1 Ų | 118.1 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 134 | 179 | -57.8 | -178.1 | -177.4 | -163.5 | -0.2 | 110.3 | R44 F45 H46 | R44-R48 CarbonylContact C-O 3.59Å; R44-R48 WeakPolarHBondContact CA-O 3.29Å; F45-R48 PolarHBondContact N-O 3.5Å; F45-R48 PolarHBondContact O-N 3.15Å; H46-R48 PolarHBondContact O-N 3.2Å |
| 49 | P | 79.8 | Confident | 74.2 | Confident | 64 Ų | 64 | 113.1 Ų | 113.1 | 42% | 0.416 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.1 | 138.6 | 173.4 | 27.8 | -34.1 | 0 | 0 | 0 | 110.3 | S41 | S41-P49 WeakPolarHBondContact OG-CB 3.41Å |
| 50 | I | 80.1 | Confident | 75.4 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -66 | 144.3 | 173.1 | -61.8 | -179.8 | 0 | 0 | 0 | 109 | S41 I43 F45 L52 | S41-I50 WeakPolarHBondContact CB-O 3.48Å; S41-I50 PolarHBondContact OG-N 3.48Å; S41-I50 PolarHBondContact OG-O 3.32Å; I43-I50 HydrophobicContact CB-CD1 4.21Å; I43-I50 HydrophobicContact CG2-CD1 3.59Å; I43-I50 HydrophobicContact CG2-CG1 4.43Å; I43-I50 PolarHBondContact O-N 3.25Å; F45-I50 HydrophobicContact CB-CG1 4.27Å; I50-L52 PolarHBondContact O-N 3.05Å |
| 51 | L | 76.4 | Confident | 76.6 | Confident | 160 Ų | 160 | 115.9 Ų | 115.9 | 84% | 0.838 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.7 | 177.1 | -63 | 177.5 | 0 | 0 | 0 | 110.7 | ||
| 52 | L | 71.5 | Confident | 77.5 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 143.3 | 172.7 | -65.3 | 175.5 | 0 | 0 | 0 | 109.8 | I50 L54 | I50-L52 PolarHBondContact O-N 3.05Å; L52-L54 PolarHBondContact O-N 3.36Å |
| 53 | P | 72.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 115.3 Ų | 115.3 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.4 | 175.7 | -28.1 | 36.3 | 0 | 0 | 0 | 112.2 | L55 | P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CG 4.1Å; P53-L55 PolarHBondContact O-N 2.71Å |
| 54 | L | 76.2 | Confident | 78.5 | Confident | 180 Ų | 180 | 115 Ų | 115 | 94% | 0.942 | 58% | 0.584 | S | S | * | * | trans | -78.6 | 71.9 | 179.1 | -66.5 | 176 | 0 | 0 | 0 | 110.9 | L52 | L52-L54 PolarHBondContact O-N 3.36Š| ||
| 55 | L | 79.6 | Confident | 79 | Confident | 68 Ų | 68 | 107.9 Ų | 107.9 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | trans | -87.9 | 152.3 | 176.4 | -60.6 | 177.9 | 0 | 0 | 0 | 111.3 | P53 Q59 M63 | P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CG 4.1Å; P53-L55 PolarHBondContact O-N 2.71Å; L55-Q59 HydrophobicContact CB-CB 4.03Å; L55-Q59 HydrophobicContact CD2-CB 4.26Å; L55-M63 HydrophobicContact CD1-CG 4.28Å | ||
| 56 | R | 81.6 | Confident | 80.2 | Confident | 168 Ų | 168 | 107.9 Ų | 107.9 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | trans | -76.9 | 163.1 | 167.1 | -57.8 | -176.9 | -168.5 | 170.9 | 4.1 | 110.6 | E58 Q59 H60 | R56-E58 VanDerWaalsContact C-N 3.32Å; R56-E58 IonicContact NH1-OE2 2.78Å; R56-E58 PolarHBondContact O-N 2.95Å; R56-Q59 HydrophobicContact CB-CG 4.3Å; R56-Q59 WeakPolarHBondContact O-CB 3.37Å; R56-Q59 PolarHBondContact O-N 2.8Å; R56-H60 PolarHBondContact O-CD2 3.17Å; R56-H60 PolarHBondContact O-N 2.88Å | ||
| 57 | A | 76.7 | Confident | 81.1 | Confident | 80 Ų | 80 | 108.5 Ų | 108.5 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.3 | -47.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q59 H60 T61 | A57-Q59 VanDerWaalsContact C-N 3.27Å; A57-Q59 PolarHBondContact O-N 3.16Å; A57-H60 WeakPolarHBondContact O-CB 3.33Å; A57-H60 PolarHBondContact O-N 2.99Å; A57-H60 VanDerWaalsContact O-N 3.11Å; A57-T61 PolarHBondContact O-N 3.04Å; A57-T61 PolarHBondContact O-OG1 3.26Å |
| 58 | E | 84 | Confident | 81.7 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -50.2 | -45.5 | 173.2 | -60.5 | 149.4 | 177.3 | 0 | 0 | 112.3 | R56 T61 A62 | R56-E58 VanDerWaalsContact C-N 3.32Å; R56-E58 IonicContact NH1-OE2 2.78Å; R56-E58 PolarHBondContact O-N 2.95Å; E58-T61 PolarHBondContact O-N 3.01Å; E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 3.44Å |
| 59 | Q | 80.6 | Confident | 82.5 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.6 | -33.2 | -178 | -66 | 174.8 | -44.6 | 0 | 0 | 111.9 | L55 R56 A57 M63 | L55-Q59 HydrophobicContact CB-CB 4.03Å; L55-Q59 HydrophobicContact CD2-CB 4.26Å; R56-Q59 HydrophobicContact CB-CG 4.3Å; R56-Q59 WeakPolarHBondContact O-CB 3.37Å; R56-Q59 PolarHBondContact O-N 2.8Å; A57-Q59 VanDerWaalsContact C-N 3.27Å; A57-Q59 PolarHBondContact O-N 3.16Å; Q59-M63 VanDerWaalsContact O-CB 3.32Å; Q59-M63 WeakPolarHBondContact O-CB 3.42Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.38Å; Q59-M63 PolarHBondContact O-N 2.9Å |
| 60 | H | 79.1 | Confident | 83 | Confident | 106 Ų | 106 | 108.4 Ų | 108.4 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 170.4 | -80.2 | -70.7 | 0 | 0 | 0 | 111.6 | R56 A57 M63 H64 | R56-H60 PolarHBondContact O-CD2 3.17Å; R56-H60 PolarHBondContact O-N 2.88Å; A57-H60 WeakPolarHBondContact O-CB 3.33Å; A57-H60 PolarHBondContact O-N 2.99Å; A57-H60 VanDerWaalsContact O-N 3.11Å; H60-M63 PolarHBondContact O-N 3.24Å; H60-H64 PolarHBondContact O-N 3.33Å |
| 61 | T | 84.3 | Confident | 83.6 | Confident | 103 Ų | 103 | 108 Ų | 108 | 63% | 0.632 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 176.3 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | A57 E58 M63 H64 G65 | A57-T61 PolarHBondContact O-N 3.04Å; A57-T61 PolarHBondContact O-OG1 3.26Å; E58-T61 PolarHBondContact O-N 3.01Å; T61-M63 PolarHBondContact O-N 3.39Å; T61-H64 WeakPolarHBondContact O-CB 3.4Å; T61-H64 PolarHBondContact O-N 3.24Å; T61-G65 PolarHBondContact O-N 3.24Å |
| 62 | A | 87.6 | Confident | 84.3 | Confident | 43 Ų | 43 | 104.9 Ų | 104.9 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E58 H64 G65 Y66 | E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 3.44Å; A62-H64 VanDerWaalsContact C-N 3.28Å; A62-H64 PolarHBondContact O-N 2.66Å; A62-G65 PolarHBondContact O-N 2.85Å; A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.17Å; A62-Y66 WeakPolarHBondContact O-CD2 3.43Å; A62-Y66 PolarHBondContact O-N 3.02Å |
| 63 | M | 84.5 | Confident | 85.4 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -32.7 | 175.9 | -75.6 | -59 | -56.8 | 0 | 0 | 113.1 | L55 Q59 H60 T61 R67 | L55-M63 HydrophobicContact CD1-CG 4.28Å; Q59-M63 VanDerWaalsContact O-CB 3.32Å; Q59-M63 WeakPolarHBondContact O-CB 3.42Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.38Å; Q59-M63 PolarHBondContact O-N 2.9Å; H60-M63 PolarHBondContact O-N 3.24Å; T61-M63 PolarHBondContact O-N 3.39Å; M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.29Å; M63-R67 PolarHBondContact O-N 3.13Å |
| 64 | H | 79 | Confident | 86.4 | Confident | 115 Ų | 115 | 107 Ų | 107 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 172.7 | -164.6 | -86.2 | 0 | 0 | 0 | 111.2 | H60 T61 A62 Y66 R67 Q68 | H60-H64 PolarHBondContact O-N 3.33Å; T61-H64 WeakPolarHBondContact O-CB 3.4Å; T61-H64 PolarHBondContact O-N 3.24Å; A62-H64 VanDerWaalsContact C-N 3.28Å; A62-H64 PolarHBondContact O-N 2.66Å; H64-Y66 PolarHBondContact O-N 3.24Å; H64-R67 PolarHBondContact O-N 3.39Å; H64-Q68 VanDerWaalsContact CE1-CD 3.41Å; H64-Q68 PolarHBondContact CE1-OE1 2.94Å; H64-Q68 VanDerWaalsContact ND1-CD 3.34Å; H64-Q68 PolarHBondContact ND1-OE1 3.05Å; H64-Q68 WeakPolarHBondContact O-CG 3.48Å; H64-Q68 PolarHBondContact O-N 3.38Å |
| 65 | G | 91.7 | Very high | 87.1 | Confident | 20 Ų | 20 | 102.8 Ų | 102.8 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T61 A62 R69 | T61-G65 PolarHBondContact O-N 3.24Å; A62-G65 PolarHBondContact O-N 2.85Å; G65-R69 WeakPolarHBondContact O-CB 3.35Å; G65-R69 WeakPolarHBondContact O-CG 3.34Å; G65-R69 PolarHBondContact O-N 2.89Å; G65-R69 VanDerWaalsContact O-N 3.09Å; G65-R69 PolarHBondContact O-NE 2.92Å; G65-R69 VanDerWaalsContact O-NE 3.12Å |
| 66 | Y | 93 | Very high | 87.7 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 170.6 | -69.6 | -59.3 | 0 | 0 | 0 | 112.1 | A62 H64 R69 A70 | A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.17Å; A62-Y66 WeakPolarHBondContact O-CD2 3.43Å; A62-Y66 PolarHBondContact O-N 3.02Å; H64-Y66 PolarHBondContact O-N 3.24Å; Y66-R69 VanDerWaalsContact CD1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.35Å; Y66-R69 PolarHBondContact O-N 3.33Å; Y66-A70 WeakPolarHBondContact O-CB 3.39Å; Y66-A70 PolarHBondContact O-N 3.29Å |
| 67 | R | 91.1 | Very high | 88.3 | Confident | 178 Ų | 178 | 100.5 Ų | 100.5 | 67% | 0.672 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 176.8 | -175.4 | 178.1 | -179.4 | -174.5 | -1 | 112.3 | M63 H64 A70 I71 | M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.29Å; M63-R67 PolarHBondContact O-N 3.13Å; H64-R67 PolarHBondContact O-N 3.39Å; R67-A70 PolarHBondContact O-N 2.96Å; R67-I71 HydrophobicContact CG-CD1 4.06Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.41Å; R67-I71 PolarHBondContact O-N 3.25Å; R67-I71 VanDerWaalsContact O-N 3.08Å |
| 68 | Q | 90.8 | Very high | 89.1 | Confident | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.9 | -72.8 | 174.8 | -70.4 | 0 | 0 | 111.4 | H64 A70 I71 Q72 | H64-Q68 VanDerWaalsContact CE1-CD 3.41Å; H64-Q68 PolarHBondContact CE1-OE1 2.94Å; H64-Q68 VanDerWaalsContact ND1-CD 3.34Å; H64-Q68 PolarHBondContact ND1-OE1 3.05Å; H64-Q68 WeakPolarHBondContact O-CG 3.48Å; H64-Q68 PolarHBondContact O-N 3.38Å; Q68-A70 PolarHBondContact O-N 2.75Å; Q68-I71 PolarHBondContact O-N 2.87Å; Q68-Q72 PolarHBondContact O-N 2.97Å |
| 69 | R | 93.4 | Very high | 89.5 | Confident | 142 Ų | 142 | 99.5 Ų | 99.5 | 54% | 0.536 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175.8 | -75.2 | 178.7 | -71.5 | -154.1 | 4 | 112.8 | G65 Y66 I71 Q72 L73 | G65-R69 WeakPolarHBondContact O-CB 3.35Å; G65-R69 WeakPolarHBondContact O-CG 3.34Å; G65-R69 PolarHBondContact O-N 2.89Å; G65-R69 VanDerWaalsContact O-N 3.09Å; G65-R69 PolarHBondContact O-NE 2.92Å; G65-R69 VanDerWaalsContact O-NE 3.12Å; Y66-R69 VanDerWaalsContact CD1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.35Å; Y66-R69 PolarHBondContact O-N 3.33Å; R69-I71 PolarHBondContact O-N 3.34Å; R69-Q72 PolarHBondContact O-N 3.29Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.34Å |
| 70 | A | 89.3 | Confident | 90.1 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y66 R67 Q68 L73 E74 | Y66-A70 WeakPolarHBondContact O-CB 3.39Å; Y66-A70 PolarHBondContact O-N 3.29Å; R67-A70 PolarHBondContact O-N 2.96Å; Q68-A70 PolarHBondContact O-N 2.75Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-E74 PolarHBondContact O-N 2.81Å |
| 71 | I | 92.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 101.6 Ų | 101.6 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.2 | -67.5 | 163.9 | 0 | 0 | 0 | 110.8 | R67 Q68 R69 E74 Q75 | R67-I71 HydrophobicContact CG-CD1 4.06Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.41Å; R67-I71 PolarHBondContact O-N 3.25Å; R67-I71 VanDerWaalsContact O-N 3.08Å; Q68-I71 PolarHBondContact O-N 2.87Å; R69-I71 PolarHBondContact O-N 3.34Å; I71-E74 PolarHBondContact O-N 3.12Å; I71-Q75 WeakPolarHBondContact O-CG 3.48Å; I71-Q75 PolarHBondContact O-N 3.39Å |
| 72 | Q | 92.8 | Very high | 91.1 | Very high | 95 Ų | 95 | 104 Ų | 104 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.3 | -170.1 | 63.9 | 63 | 0 | 0 | 112 | Q68 R69 Q75 N76 | Q68-Q72 PolarHBondContact O-N 2.97Å; R69-Q72 PolarHBondContact O-N 3.29Å; Q72-Q75 PolarHBondContact O-N 2.72Å; Q72-N76 PolarHBondContact NE2-OD1 3Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 3.03Å; Q72-N76 PolarHBondContact O-OD1 3.27Å; Q72-N76 VanDerWaalsContact O-OD1 3.08Å |
| 73 | L | 93.5 | Very high | 91.3 | Very high | 122 Ų | 122 | 106.7 Ų | 106.7 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 176.7 | -71.5 | 169.3 | 0 | 0 | 0 | 112 | R69 A70 N76 R77 | R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.34Å; A70-L73 PolarHBondContact O-N 2.87Å; L73-N76 PolarHBondContact O-N 3.36Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.34Å |
| 74 | E | 92.6 | Very high | 91.8 | Very high | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.4 | -173.6 | 151 | -121.3 | 0 | 0 | 111.9 | A70 I71 R77 E78 | A70-E74 PolarHBondContact O-N 2.81Å; I71-E74 PolarHBondContact O-N 3.12Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 2.62Å; E74-R77 IonicContact OE1-NH2 2.66Å; E74-E78 WeakPolarHBondContact O-CG 3.48Å; E74-E78 PolarHBondContact O-N 3.09Å |
| 75 | Q | 92.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 107.8 Ų | 107.8 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.6 | -73 | 177.4 | -10.7 | 0 | 0 | 112.5 | I71 Q72 R77 E78 N79 | I71-Q75 WeakPolarHBondContact O-CG 3.48Å; I71-Q75 PolarHBondContact O-N 3.39Å; Q72-Q75 PolarHBondContact O-N 2.72Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.05Å; Q75-E78 PolarHBondContact O-N 3.46Å; Q75-N79 WeakPolarHBondContact O-CB 3.33Å; Q75-N79 VanDerWaalsContact O-CG 3.28Å; Q75-N79 PolarHBondContact O-N 3.16Å; Q75-N79 PolarHBondContact O-ND2 3.39Å |
| 76 | N | 92.2 | Very high | 92.4 | Very high | 80 Ų | 80 | 111.7 Ų | 111.7 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.6 | -70.6 | 8.3 | 0 | 0 | 0 | 111 | Q72 L73 N79 L80 | Q72-N76 PolarHBondContact NE2-OD1 3Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 3.03Å; Q72-N76 PolarHBondContact O-OD1 3.27Å; Q72-N76 VanDerWaalsContact O-OD1 3.08Å; L73-N76 PolarHBondContact O-N 3.36Å; N76-N79 PolarHBondContact O-N 2.87Å; N76-L80 WeakPolarHBondContact O-CB 3.45Å; N76-L80 PolarHBondContact O-N 3.43Å |
| 77 | R | 93.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 107.5 Ų | 107.5 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175 | -170.1 | -172.4 | 61.6 | 65 | 5.6 | 112.1 | L73 E74 Q75 L80 Q81 | L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 2.62Å; E74-R77 IonicContact OE1-NH2 2.66Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.05Å; R77-L80 PolarHBondContact O-N 3.1Å; R77-Q81 VanDerWaalsContact NH1-CD 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.21Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.43Å |
| 78 | E | 92.3 | Very high | 92.2 | Very high | 106 Ų | 106 | 106.8 Ų | 106.8 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 174.9 | -72.9 | -175.8 | 163.4 | 0 | 0 | 112.1 | E74 Q75 Q81 R82 | E74-E78 WeakPolarHBondContact O-CG 3.48Å; E74-E78 PolarHBondContact O-N 3.09Å; Q75-E78 PolarHBondContact O-N 3.46Å; E78-Q81 PolarHBondContact O-N 2.78Å; E78-R82 PolarHBondContact O-N 2.89Å |
| 79 | N | 92.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 104.5 Ų | 104.5 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174 | -74.6 | -28.7 | 0 | 0 | 0 | 111.8 | Q75 N76 Q81 R82 N83 | Q75-N79 WeakPolarHBondContact O-CB 3.33Å; Q75-N79 VanDerWaalsContact O-CG 3.28Å; Q75-N79 PolarHBondContact O-N 3.16Å; Q75-N79 PolarHBondContact O-ND2 3.39Å; N76-N79 PolarHBondContact O-N 2.87Å; N79-Q81 VanDerWaalsContact C-N 3.33Å; N79-Q81 PolarHBondContact O-N 3.16Å; N79-R82 WeakPolarHBondContact O-CB 3.41Å; N79-R82 PolarHBondContact O-N 3.38Å; N79-N83 WeakPolarHBondContact O-CB 3.44Å; N79-N83 PolarHBondContact O-N 3.19Å; N79-N83 PolarHBondContact O-OD1 2.98Å |
| 80 | L | 92.7 | Very high | 92 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 174.4 | -176.3 | 62.6 | 0 | 0 | 0 | 111.6 | N76 R77 N83 K84 | N76-L80 WeakPolarHBondContact O-CB 3.45Å; N76-L80 PolarHBondContact O-N 3.43Å; R77-L80 PolarHBondContact O-N 3.1Å; L80-N83 PolarHBondContact O-N 3.46Å; L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.74Å |
| 81 | Q | 90.8 | Very high | 92.1 | Very high | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 174.4 | -75.2 | -179.1 | -17.1 | 0 | 0 | 112.4 | R77 E78 N79 L85 | R77-Q81 VanDerWaalsContact NH1-CD 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.21Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.43Å; E78-Q81 PolarHBondContact O-N 2.78Å; N79-Q81 VanDerWaalsContact C-N 3.33Å; N79-Q81 PolarHBondContact O-N 3.16Å; Q81-L85 WeakPolarHBondContact O-CB 3.18Å; Q81-L85 PolarHBondContact O-N 2.82Å; Q81-L85 VanDerWaalsContact O-N 3.08Å |
| 82 | R | 93.9 | Very high | 91.9 | Very high | 153 Ų | 153 | 104.8 Ų | 104.8 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -50.2 | 169 | -94.5 | -170.5 | 62.9 | 83.2 | 3 | 111.2 | E78 N79 K84 L85 M86 | E78-R82 PolarHBondContact O-N 2.89Å; N79-R82 WeakPolarHBondContact O-CB 3.41Å; N79-R82 PolarHBondContact O-N 3.38Å; R82-K84 PolarHBondContact O-N 2.8Å; R82-L85 CarbonylContact O-C 3.54Å; R82-L85 WeakPolarHBondContact O-CB 3.38Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-L85 VanDerWaalsContact O-N 3.1Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.37Å |
| 83 | N | 93.1 | Very high | 91.6 | Very high | 101 Ų | 101 | 105 Ų | 105 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | -176.1 | -67.9 | -3.3 | 0 | 0 | 0 | 111.6 | N79 L80 L85 M86 A87 | N79-N83 WeakPolarHBondContact O-CB 3.44Å; N79-N83 PolarHBondContact O-N 3.19Å; N79-N83 PolarHBondContact O-OD1 2.98Å; L80-N83 PolarHBondContact O-N 3.46Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.86Å; N83-M86 PolarHBondContact O-N 3.14Å; N83-A87 WeakPolarHBondContact O-CB 3.38Å; N83-A87 PolarHBondContact O-N 3.28Å |
| 84 | K | 94.3 | Very high | 91.1 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 61% | 0.609 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -29.5 | 173.7 | -166.4 | 163.2 | -172.2 | 162.8 | 0 | 112.8 | L80 R82 R88 | L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.74Å; R82-K84 PolarHBondContact O-N 2.8Å; K84-R88 VanDerWaalsContact O-CG 3.31Å; K84-R88 WeakPolarHBondContact O-CG 3.44Å; K84-R88 PolarHBondContact O-N 3.27Å |
| 85 | L | 93.3 | Very high | 90.5 | Very high | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.7 | -45.6 | 170.6 | -178.8 | 62.3 | 0 | 0 | 0 | 111.9 | Q81 R82 N83 A87 R88 V89 | Q81-L85 WeakPolarHBondContact O-CB 3.18Å; Q81-L85 PolarHBondContact O-N 2.82Å; Q81-L85 VanDerWaalsContact O-N 3.08Å; R82-L85 CarbonylContact O-C 3.54Å; R82-L85 WeakPolarHBondContact O-CB 3.38Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-L85 VanDerWaalsContact O-N 3.1Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.86Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.14Å; L85-R88 WeakPolarHBondContact O-CB 3.35Å; L85-R88 PolarHBondContact O-N 3.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.04Å |
| 86 | M | 89.8 | Confident | 89.4 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.1 | -67 | -58.4 | -59.7 | 0 | 0 | 111.4 | R82 N83 R88 V89 Q90 | R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.37Å; N83-M86 PolarHBondContact O-N 3.14Å; M86-R88 PolarHBondContact O-N 3.19Å; M86-V89 PolarHBondContact O-N 3.34Å; M86-Q90 PolarHBondContact O-N 2.89Å |
| 87 | A | 90.9 | Very high | 87.9 | Confident | 55 Ų | 55 | 106.9 Ų | 106.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N83 L85 Q90 V91 | N83-A87 WeakPolarHBondContact O-CB 3.38Å; N83-A87 PolarHBondContact O-N 3.28Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.14Å; A87-Q90 PolarHBondContact O-N 3.29Å; A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.48Å |
| 88 | R | 89.8 | Confident | 86.2 | Confident | 163 Ų | 163 | 107.5 Ų | 107.5 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 173.2 | -76.6 | 172.5 | 171 | -166.6 | -4.8 | 112.5 | K84 L85 M86 I92 | K84-R88 VanDerWaalsContact O-CG 3.31Å; K84-R88 WeakPolarHBondContact O-CG 3.44Å; K84-R88 PolarHBondContact O-N 3.27Å; L85-R88 WeakPolarHBondContact O-CB 3.35Å; L85-R88 PolarHBondContact O-N 3.33Å; M86-R88 PolarHBondContact O-N 3.19Å; R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.48Å; R88-I92 PolarHBondContact O-N 3.24Å; R88-I92 VanDerWaalsContact O-N 3.09Å |
| 89 | V | 92.3 | Very high | 84.5 | Confident | 64 Ų | 64 | 110 Ų | 110 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.6 | -42.6 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L85 M86 I92 L93 | L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.04Å; M86-V89 PolarHBondContact O-N 3.34Å; V89-I92 PolarHBondContact O-N 3.39Å; V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.3Å |
| 90 | Q | 87.4 | Confident | 82.6 | Confident | 100 Ų | 100 | 112.3 Ų | 112.3 | 47% | 0.467 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.2 | -52 | 175.5 | -170.1 | 60.8 | 52.1 | 0 | 0 | 111 | M86 A87 I92 L93 D94 | M86-Q90 PolarHBondContact O-N 2.89Å; A87-Q90 PolarHBondContact O-N 3.29Å; Q90-I92 PolarHBondContact O-N 3.05Å; Q90-L93 WeakPolarHBondContact O-CA 3.4Å; Q90-L93 WeakPolarHBondContact O-CB 3.11Å; Q90-L93 PolarHBondContact O-N 3.43Å; Q90-D94 PolarHBondContact NE2-OD1 3.38Å; Q90-D94 PolarHBondContact O-N 3.44Å |
| 91 | V | 90.4 | Very high | 80.4 | Confident | 73 Ų | 73 | 113 Ų | 113 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -53.6 | -40.4 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | A87 D94 H95 | A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.48Å; V91-D94 PolarHBondContact O-N 3Å; V91-H95 WeakPolarHBondContact O-CB 3.22Å; V91-H95 PolarHBondContact O-N 2.92Å; V91-H95 PolarHBondContact O-ND1 3.27Å |
| 92 | I | 88.8 | Confident | 78.5 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 55% | 0.549 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -42.8 | 176.1 | -69.5 | 163.3 | 0 | 0 | 0 | 111.6 | R88 V89 Q90 H95 V96 | R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.48Å; R88-I92 PolarHBondContact O-N 3.24Å; R88-I92 VanDerWaalsContact O-N 3.09Å; V89-I92 PolarHBondContact O-N 3.39Å; Q90-I92 PolarHBondContact O-N 3.05Å; I92-H95 PolarHBondContact O-N 2.84Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 3.21Å |
| 93 | L | 87.4 | Confident | 75.6 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | 176.1 | -67.2 | 169.3 | 0 | 0 | 0 | 111.2 | V89 Q90 H95 V96 Q97 | V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.3Å; Q90-L93 WeakPolarHBondContact O-CA 3.4Å; Q90-L93 WeakPolarHBondContact O-CB 3.11Å; Q90-L93 PolarHBondContact O-N 3.43Å; L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 3.36Å; L93-V96 PolarHBondContact O-N 2.83Å; L93-Q97 WeakPolarHBondContact O-CB 3.14Å; L93-Q97 PolarHBondContact O-N 2.96Å |
| 94 | D | 83.1 | Confident | 73.1 | Confident | 68 Ų | 68 | 115.3 Ų | 115.3 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.3 | -41.7 | 176.6 | -52.5 | -27.4 | 0 | 0 | 0 | 110.9 | Q90 V91 Q97 V98 | Q90-D94 PolarHBondContact NE2-OD1 3.38Å; Q90-D94 PolarHBondContact O-N 3.44Å; V91-D94 PolarHBondContact O-N 3Å; D94-Q97 PolarHBondContact O-N 3.47Å; D94-V98 WeakPolarHBondContact O-CG2 3.43Å; D94-V98 PolarHBondContact O-N 3.29Å |
| 95 | H | 78.8 | Confident | 70.9 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -35.4 | 178.5 | -79.2 | 55.5 | 0 | 0 | 0 | 113.3 | V91 I92 L93 Q99 | V91-H95 WeakPolarHBondContact O-CB 3.22Å; V91-H95 PolarHBondContact O-N 2.92Å; V91-H95 PolarHBondContact O-ND1 3.27Å; I92-H95 PolarHBondContact O-N 2.84Å; L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 3.36Å; H95-Q99 PolarHBondContact O-N 3.38Å |
| 96 | V | 70.6 | Confident | 68.1 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.1 | -44.1 | 172.6 | 169.2 | 0 | 0 | 0 | 0 | 109.9 | I92 L93 V98 Q99 | I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 3.21Å; L93-V96 PolarHBondContact O-N 2.83Å; V96-V98 PolarHBondContact O-N 2.86Å; V96-Q99 PolarHBondContact O-N 2.97Å |
| 97 | Q | 60.3 | Low | 65.8 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -15.5 | -178.2 | -167 | 152.7 | 85.4 | 0 | 0 | 114.1 | L93 D94 | L93-Q97 WeakPolarHBondContact O-CB 3.14Å; L93-Q97 PolarHBondContact O-N 2.96Å; D94-Q97 PolarHBondContact O-N 3.47Å |
| 98 | V | 58.3 | Low | 63.1 | Low | 121 Ų | 121 | 125.3 Ų | 125.3 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -13.7 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | D94 V96 | D94-V98 WeakPolarHBondContact O-CG2 3.43Å; D94-V98 PolarHBondContact O-N 3.29Å; V96-V98 PolarHBondContact O-N 2.86Å |
| 99 | Q | 55.8 | Low | 61.7 | Low | 158 Ų | 158 | 123.3 Ų | 123.3 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | trans | -91.5 | -5.3 | -171.1 | -157.4 | 161.2 | 105.4 | 0 | 0 | 114.8 | H95 V96 V101 | H95-Q99 PolarHBondContact O-N 3.38Å; V96-Q99 PolarHBondContact O-N 2.97Å; Q99-V101 PolarHBondContact O-N 3.49Å | ||
| 100 | D | 53.5 | Low | 59.4 | Low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | -74 | 20.6 | 179.2 | -77 | -36.5 | 0 | 0 | 0 | 114.9 | ||||
| 101 | V | 46.3 | Very low | 56.7 | Low | 131 Ų | 131 | 127.3 Ų | 127.3 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -124.9 | 101.2 | 173 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | Q99 | Q99-V101 PolarHBondContact O-N 3.49Š|
| 102 | P | 50.5 | Low | 53.8 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -92.6 | 138.3 | -171.6 | 33.8 | -33.9 | 0 | 0 | 0 | 113.7 | ||||
| 103 | H | 34.1 | Very low | 51.2 | Low | 183 Ų | 183 | 134.4 Ų | 134.4 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | -152 | 164.5 | 145.7 | -135.8 | -89.4 | 0 | 0 | 0 | 114.2 | ||||
| 104 | E | 39.3 | Very low | 49.1 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | trans | -94.8 | 156.2 | -154.9 | -54.2 | -167.1 | 110 | 0 | 0 | 118.1 | ||||
| 105 | K | 48.4 | Very low | 46.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 54.8 | 124.4 | 143.2 | -66 | 154.6 | -167.7 | 159.4 | 0 | 119.2 | ||||
| 106 | N | 34.7 | Very low | 44.6 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | -178.2 | 129.2 | 98.7 | -98.4 | -70.7 | 0 | 0 | 0 | 115.5 | |||||
| 107 | I | 41.3 | Very low | 43.1 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | 69.2 | 127.8 | 136.6 | -66.3 | 171.8 | 0 | 0 | 0 | 122.4 | ||||
| 108 | K | 33.3 | Very low | 41.8 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | 73.7 | 119.3 | 156.8 | -81.5 | 166.7 | -174.8 | 176.1 | 0 | 121.2 | ||||
| 109 | P | 60.3 | Low | 40.7 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -99 | 168.6 | 160.6 | 39.5 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 110 | P | 45.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -130.9 | 105.5 | 151.1 | 33.8 | -18.8 | 0 | 0 | 0 | 114.1 | ||||
| 111 | V | 29.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 35 | 106.5 | 136.8 | -173 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 112 | C | 30.8 | Very low | 39 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 143.2 | 150.3 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | K | 32.6 | Very low | 38.2 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | -99.7 | 118.8 | 163 | -73.5 | -175.7 | 178.7 | 178.8 | 0 | 109.6 | ||||
| 114 | S | 43.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -115.2 | 147.7 | 163.9 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 115 | A | 30.6 | Very low | 37.8 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -127 | 109.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 116 | T | 37.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 86.6 | 92.8 | 82.9 | -69.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 117 | V | 38.5 | Very low | 38 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | 100.1 | 145.7 | 87.4 | 135.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 118 | S | 33.8 | Very low | 37.5 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -159.4 | 142.9 | -12.3 | 171.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 119 | G | 34.8 | Very low | 37.4 | Very low | 56 Ų | 56 | 125.8 Ų | 125.8 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | 144 | 169.9 | 91.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 120 | Y | 37.7 | Very low | 36.6 | Very low | 208 Ų | 208 | 124.8 Ų | 124.8 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | cis | -148.2 | 132.2 | 10.7 | -39.8 | -90.8 | 0 | 0 | 0 | 110.8 | ||||
| 121 | T | 42.6 | Very low | 36 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | 16.4 | 142.7 | 131.8 | 52.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 122 | L | 39.7 | Very low | 36.1 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | cis | -173.5 | 160.7 | 9.5 | -103 | 163.2 | 0 | 0 | 0 | 111.4 | ||||
| 123 | V | 34.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | 69.7 | 143 | 135.3 | 162.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 124 | T | 34.5 | Very low | 36.4 | Very low | 99 Ų | 99 | 125 Ų | 125 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | cis | -164.4 | 175.1 | -19.5 | 36.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 125 | D | 28.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 105.4 | 142.7 | 137.8 | -69 | -42.9 | 0 | 0 | 0 | 122.5 | ||||
| 126 | S | 40.1 | Very low | 35.6 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -132.6 | 155.2 | 178.4 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 127 | P | 48.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | -145.1 | -171.7 | 106.8 | 35.1 | -17.9 | 0 | 0 | 0 | 113.2 | |||||
| 128 | G | 29.8 | Very low | 35.7 | Very low | 66 Ų | 66 | 133.7 Ų | 133.7 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -156.9 | -162.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 129 | L | 32.8 | Very low | 35.4 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | 67.4 | 164.7 | -172.9 | -82.6 | 124.8 | 0 | 0 | 0 | 115 | ||||
| 130 | P | 43.4 | Very low | 35.3 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -138.1 | -176 | 4.9 | 44.1 | -27.5 | 0 | 0 | 0 | 117.9 | ||||
| 131 | K | 31.3 | Very low | 35 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | 89.6 | 148.9 | 145 | -85.7 | 170.9 | -177.2 | 180 | 0 | 122.9 | ||||
| 132 | V | 33.4 | Very low | 35.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -111.1 | 170.3 | 177.2 | -149.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 133 | P | 42.6 | Very low | 35.3 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | -149.3 | 154.9 | 94.1 | 38.4 | -21.2 | 0 | 0 | 0 | 117 | |||||
| 134 | E | 27.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 47.3 | 142.1 | 139.4 | -58 | 176.2 | 124.3 | 0 | 0 | 120.9 | ||||
| 135 | F | 27.6 | Very low | 35.1 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | cis | -145.2 | 168.8 | 45.5 | -96.8 | -91.9 | 0 | 0 | 0 | 116.2 | ||||
| 136 | R | 28.3 | Very low | 35.4 | Very low | 230 Ų | 230 | 138.5 Ų | 138.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -102.8 | -175.2 | 178.1 | -108.1 | -170.6 | 155.5 | -163.7 | -3.6 | 110.5 | ||||
| 137 | P | 51.4 | Low | 34.9 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 57% | 0.571 | 77% | 0.774 | S | S | * | * | cis | -141.5 | -156.9 | -38.6 | 40.2 | -20.7 | 0 | 0 | 0 | 113 | ||||
| 138 | N | 28.2 | Very low | 34 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 75.2 | 137.7 | 153.9 | -71.1 | 5.7 | 0 | 0 | 0 | 117.9 | ||||
| 139 | V | 26.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | cis | -135.4 | 176.1 | 1.9 | -115.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 140 | V | 32.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | cis | -133.2 | -177.9 | 31 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 141 | E | 30.8 | Very low | 34.7 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -112.8 | -175 | -170.4 | -112.4 | -158.6 | 130 | 0 | 0 | 113.1 | ||||
| 142 | P | 46.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -123 | -131.9 | -139.4 | 36.5 | -10.6 | 0 | 0 | 0 | 111.1 | ||||
| 143 | P | 41.2 | Very low | 34.3 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -139.9 | -179.3 | -2.7 | 41.9 | -20.9 | 0 | 0 | 0 | 119.1 | ||||
| 144 | S | 28 | Very low | 33.5 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 77.7 | 133.7 | 146.9 | 54.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 145 | H | 37 | Very low | 33.6 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -88.2 | 167.8 | 169.5 | -48.9 | -92.8 | 0 | 0 | 0 | 110.9 | ||||
| 146 | P | 36.7 | Very low | 33.6 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | -142.2 | -161.7 | 88.9 | 39.3 | -23.2 | 0 | 0 | 0 | 113.9 | |||||
| 147 | S | 29.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -116.5 | 174.1 | -166.5 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 148 | S | 29.4 | Very low | 32.7 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 69.3 | 95.1 | 154 | 45.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 149 | E | 31.6 | Very low | 32.9 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 54.7 | 116.9 | 120.7 | -68.9 | -174.3 | 128 | 0 | 0 | 125.6 | |||||
| 150 | T | 35.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 71.5 | 171 | 140.6 | 70.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 151 | P | 53.6 | Low | 33.4 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | cis | -130.2 | -149.8 | -17.6 | 23.3 | 3 | 0 | 0 | 0 | 113.6 | ||||
| 152 | I | 26.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 94.1 | 135.1 | 155.2 | -66.5 | 168.3 | 0 | 0 | 0 | 118.8 | ||||
| 153 | V | 28.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | cis | -169.1 | 163.5 | -21.5 | 81.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 154 | N | 27.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 69 | 143.6 | 157.5 | -76.3 | -10.6 | 0 | 0 | 0 | 124.7 | ||||
| 155 | G | 28.4 | Very low | 31.9 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | -172.8 | -29.7 | 154 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 156 | Y | 27.6 | Very low | 31.6 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | 57.8 | 162.1 | -179.6 | -59.6 | -81.7 | 0 | 0 | 0 | 117.5 | ||||
| 157 | K | 31.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | cis | -156.3 | 168.4 | 7.6 | -147.7 | -168.7 | 170.7 | -153.6 | 0 | 112.3 | ||||
| 158 | E | 29.1 | Very low | 31.4 | Very low | 137 Ų | 137 | 147 Ų | 147 | 64% | 0.64 | 75% | 0.754 | S | S | * | * | trans | 68.1 | 107.6 | 164.7 | -78.7 | 157 | -152.1 | 0 | 0 | 117.9 | ||||
| 159 | E | 33 | Very low | 31.3 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | 85.9 | 139.2 | 60.3 | -74.2 | -163 | -178.1 | 0 | 0 | 112.8 | |||||
| 160 | K | 36.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -170.5 | 176.9 | 0.5 | -114.7 | 177.4 | -165.7 | 142.8 | 0 | 107.2 | ||||
| 161 | D | 33.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | cis | -168.7 | 165.4 | -22.7 | -139.3 | -27.4 | 0 | 0 | 0 | 103.7 | ||||
| 162 | L | 30.6 | Very low | 30.3 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | cis | -136.8 | 165.7 | 11.1 | -81.6 | 164.6 | 0 | 0 | 0 | 106.8 | ||||
| 163 | K | 28.1 | Very low | 30.8 | Very low | 175 Ų | 175 | 153 Ų | 153 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | cis | 89.8 | 111.2 | 30.9 | -164.7 | -175.6 | -175.5 | 179.4 | 0 | 115.3 | ||||
| 164 | V | 28.1 | Very low | 31.1 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -174.4 | 110.1 | 136.4 | 146.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 165 | E | 28.3 | Very low | 31.5 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 57.7 | 150.2 | 137.7 | -54.1 | -178.4 | 146.3 | 0 | 0 | 124.9 | ||||
| 166 | N | 31.5 | Very low | 32 | Very low | 161 Ų | 161 | 161.7 Ų | 161.7 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -99.8 | 158.7 | 177.5 | -57.2 | -42.9 | 0 | 0 | 0 | 110.8 | ||||
| 167 | E | 27.9 | Very low | 33 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -159.1 | 71.7 | 138.5 | -129.6 | 179.1 | -165.8 | 0 | 0 | 112.8 | R169 | E167-R169 PolarHBondContact O-N 2.91Š| ||
| 168 | E | 34.6 | Very low | 33.8 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 92.2 | 161.2 | -75.8 | -160.3 | 148.6 | 0 | 0 | 109.2 | S170 | E168-S170 PolarHBondContact O-N 2.74Š| ||
| 169 | R | 27.1 | Very low | 34.6 | Very low | 193 Ų | 193 | 161.1 Ų | 161.1 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -74.2 | 111.4 | 179.4 | 175.6 | 172.8 | 161.6 | 143.3 | -5.7 | 110.7 | E167 E171 | E167-R169 PolarHBondContact O-N 2.91Å; R169-E171 HydrophobicContact CG-CG 4.08Å; R169-E171 IonicContact CZ-OE1 3.59Å; R169-E171 IonicContact NE-OE1 3.22Å; R169-E171 PolarHBondContact NE-OE1 3.4Å; R169-E171 IonicContact NH2-OE1 3.66Å; R169-E171 PolarHBondContact NH2-OE1 3.15Å; R169-E171 PolarHBondContact O-N 2.79Å | ||
| 170 | S | 31.6 | Very low | 35.7 | Very low | 100 Ų | 100 | 160.6 Ų | 160.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -68 | 117.8 | 166.9 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | E168 | E168-S170 PolarHBondContact O-N 2.74Š| ||
| 171 | E | 33.4 | Very low | 37.4 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | trans | -107.6 | 90.9 | 164.9 | -60.1 | -162.8 | 136.9 | 0 | 0 | 108 | R169 E173 | R169-E171 HydrophobicContact CG-CG 4.08Å; R169-E171 IonicContact CZ-OE1 3.59Å; R169-E171 IonicContact NE-OE1 3.22Å; R169-E171 PolarHBondContact NE-OE1 3.4Å; R169-E171 IonicContact NH2-OE1 3.66Å; R169-E171 PolarHBondContact NH2-OE1 3.15Å; R169-E171 PolarHBondContact O-N 2.79Å; E171-E173 PolarHBondContact O-N 3.31Å | ||
| 172 | E | 34.2 | Very low | 38.4 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -74.5 | 91.5 | 164.1 | -62.8 | -173.7 | 156.8 | 0 | 0 | 107.1 | E174 | E172-E174 PolarHBondContact O-N 2.95Š| ||
| 173 | E | 36.2 | Very low | 39.9 | Very low | 182 Ų | 182 | 155.3 Ų | 155.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 109.5 | 165.8 | -71.6 | -170.9 | 150.5 | 0 | 0 | 108 | E171 | E171-E173 PolarHBondContact O-N 3.31Š| ||
| 174 | E | 35.5 | Very low | 41.9 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -60.2 | 133.2 | 169.5 | -65 | -175.1 | 104.8 | 0 | 0 | 109 | E172 D176 | E172-E174 PolarHBondContact O-N 2.95Å; E174-D176 PolarHBondContact O-N 3.38Å | ||
| 175 | E | 36 | Very low | 44.1 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | -78.6 | 63.8 | 178.9 | -165.3 | 170.9 | -141.4 | 0 | 0 | 109.6 | ||||
| 176 | D | 39.4 | Very low | 46.2 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -67.4 | 133.6 | 170.2 | -99.2 | -18.2 | 0 | 0 | 0 | 109.7 | E174 E178 | E174-D176 PolarHBondContact O-N 3.38Å; D176-E178 PolarHBondContact O-N 2.7Å | ||
| 177 | D | 48.2 | Very low | 48.2 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | trans | -72.3 | 65.5 | -179.2 | -76.6 | -61.9 | 0 | 0 | 0 | 111.9 | D179 | D177-D179 PolarHBondContact O-N 3.35Š| ||
| 178 | E | 47.2 | Very low | 50.4 | Low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | -71.4 | 106.3 | 171.6 | -77.3 | -150.6 | 154.2 | 0 | 0 | 111.6 | D176 I180 | D176-E178 PolarHBondContact O-N 2.7Å; E178-I180 PolarHBondContact O-N 3.3Å; E178-I180 VanDerWaalsContact O-N 3.12Å | ||
| 179 | D | 46.2 | Very low | 52.4 | Low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 68% | 0.681 | S | S | * | * | trans | -49.9 | 115.9 | 171.7 | -97.2 | -42.1 | 0 | 0 | 0 | 111.5 | D177 S181 | D177-D179 PolarHBondContact O-N 3.35Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.7Å | ||
| 180 | I | 55.3 | Low | 54.8 | Low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 68% | 0.679 | S | S | * | * | trans | -70.4 | 83.9 | -172.5 | -52.7 | 176.9 | 0 | 0 | 0 | 110.9 | E178 L182 L185 | E178-I180 PolarHBondContact O-N 3.3Å; E178-I180 VanDerWaalsContact O-N 3.12Å; I180-L182 PolarHBondContact O-N 3.43Å; I180-L185 HydrophobicContact CG2-CD1 3.78Å; I180-L185 HydrophobicContact CG2-CD2 4.31Å; I180-L185 HydrophobicContact CG2-CG 3.9Å | ||
| 181 | S | 72 | Confident | 56.5 | Low | 64 Ų | 64 | 135.9 Ų | 135.9 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | trans | -59.9 | 135.7 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | D179 D183 S184 L185 | D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.7Å; S181-D183 PolarHBondContact O-N 2.66Å; S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.81Å; S181-L185 PolarHBondContact O-N 3.28Å | ||
| 182 | L | 55.4 | Low | 57.9 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -56.1 | -36 | -178.4 | -170.1 | 72 | 0 | 0 | 0 | 112.1 | I180 S184 L185 L186 | I180-L182 PolarHBondContact O-N 3.43Å; L182-S184 PolarHBondContact O-N 3.29Å; L182-L185 PolarHBondContact O-N 3.36Å; L182-L186 HydrophobicContact CD2-CD1 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.24Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å |
| 183 | D | 62.4 | Low | 59.6 | Low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.8 | -32.5 | 179.8 | -83.9 | -23.5 | 0 | 0 | 0 | 112.8 | S181 L186 K187 | S181-D183 PolarHBondContact O-N 2.66Å; D183-L186 PolarHBondContact O-N 2.83Å; D183-K187 WeakPolarHBondContact O-CB 3.41Å; D183-K187 PolarHBondContact O-N 3.06Å |
| 184 | S | 69.8 | Low | 60.9 | Low | 77 Ų | 77 | 129.5 Ų | 129.5 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.3 | -40.4 | 173.8 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | S181 L182 K187 R188 | S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.81Å; L182-S184 PolarHBondContact O-N 3.29Å; S184-K187 PolarHBondContact O-N 3.22Å; S184-R188 PolarHBondContact O-N 2.86Å |
| 185 | L | 74.4 | Confident | 62.3 | Low | 93 Ų | 93 | 128.1 Ų | 128.1 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 173 | -72.7 | 171.2 | 0 | 0 | 0 | 112.4 | I180 S181 L182 K187 R188 S189 | I180-L185 HydrophobicContact CG2-CD1 3.78Å; I180-L185 HydrophobicContact CG2-CD2 4.31Å; I180-L185 HydrophobicContact CG2-CG 3.9Å; S181-L185 PolarHBondContact O-N 3.28Å; L182-L185 PolarHBondContact O-N 3.36Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-S189 PolarHBondContact O-N 2.76Å; L185-S189 PolarHBondContact O-OG 3.14Å |
| 186 | L | 71.1 | Confident | 63.8 | Low | 68 Ų | 68 | 123.8 Ų | 123.8 | 36% | 0.356 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -31.7 | 176.7 | -70.6 | 172.3 | 0 | 0 | 0 | 112.5 | L182 D183 S189 R190 | L182-L186 HydrophobicContact CD2-CD1 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.24Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å; D183-L186 PolarHBondContact O-N 2.83Å; L186-S189 PolarHBondContact O-OG 3.03Å; L186-S189 VanDerWaalsContact O-OG 3.1Å; L186-R190 WeakPolarHBondContact O-CB 3.18Å; L186-R190 WeakPolarHBondContact O-CD 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 3.18Å |
| 187 | K | 75.1 | Confident | 64.5 | Low | 145 Ų | 145 | 123.5 Ų | 123.5 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.1 | -46.7 | 173.2 | -166.8 | 175 | -178.8 | -175.7 | 0 | 111 | D183 S184 L185 S189 R190 E191 | D183-K187 WeakPolarHBondContact O-CB 3.41Å; D183-K187 PolarHBondContact O-N 3.06Å; S184-K187 PolarHBondContact O-N 3.22Å; L185-K187 VanDerWaalsContact C-N 3.34Å; K187-S189 PolarHBondContact O-N 3.08Å; K187-R190 PolarHBondContact O-N 2.98Å; K187-E191 PolarHBondContact O-N 3.32Å |
| 188 | R | 74.2 | Confident | 64.5 | Low | 195 Ų | 195 | 121.2 Ų | 121.2 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59 | -40.6 | 172.4 | -102.6 | -178.1 | 173.1 | 168.7 | 0.2 | 112.8 | S184 L185 E191 Y192 | S184-R188 PolarHBondContact O-N 2.86Å; L185-R188 PolarHBondContact O-N 3.47Å; R188-E191 PolarHBondContact O-N 2.97Å; R188-Y192 PolarHBondContact O-N 2.95Å |
| 189 | S | 75.6 | Confident | 64.8 | Low | 56 Ų | 56 | 119.5 Ų | 119.5 | 39% | 0.392 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -38.2 | 179.5 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | L185 L186 K187 Y192 V193 | L185-S189 PolarHBondContact O-N 2.76Å; L185-S189 PolarHBondContact O-OG 3.14Å; L186-S189 PolarHBondContact O-OG 3.03Å; L186-S189 VanDerWaalsContact O-OG 3.1Å; K187-S189 PolarHBondContact O-N 3.08Å; S189-Y192 PolarHBondContact O-N 3.32Å; S189-V193 WeakPolarHBondContact O-CG2 3.42Å; S189-V193 PolarHBondContact O-N 2.9Å |
| 190 | R | 76.8 | Confident | 64.6 | Low | 182 Ų | 182 | 119.3 Ų | 119.3 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.9 | -44.2 | 171.6 | -73 | 168.6 | -169.3 | -99.2 | 6.6 | 111.7 | L186 K187 Y192 V193 Q194 | L186-R190 WeakPolarHBondContact O-CB 3.18Å; L186-R190 WeakPolarHBondContact O-CD 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 3.18Å; K187-R190 PolarHBondContact O-N 2.98Å; R190-Y192 VanDerWaalsContact C-N 3.33Å; R190-Y192 PolarHBondContact O-N 3.33Å; R190-V193 PolarHBondContact O-N 2.89Å; R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 3.31Å |
| 191 | E | 67.5 | Low | 63.8 | Low | 97 Ų | 97 | 123.2 Ų | 123.2 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.7 | -42.5 | 172.8 | -89 | -166.2 | -153.1 | 0 | 0 | 112.7 | K187 R188 Q194 R195 | K187-E191 PolarHBondContact O-N 3.32Å; R188-E191 PolarHBondContact O-N 2.97Å; E191-Q194 PolarHBondContact O-N 2.85Å; E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 3.29Å; E191-R195 IonicContact OE2-NH2 3.01Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å |
| 192 | Y | 62.9 | Low | 62 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.2 | -42.9 | -178.9 | -151.2 | -83.5 | 0 | 0 | 0 | 111.8 | R188 S189 R190 Q194 R195 E196 | R188-Y192 PolarHBondContact O-N 2.95Å; S189-Y192 PolarHBondContact O-N 3.32Å; R190-Y192 VanDerWaalsContact C-N 3.33Å; R190-Y192 PolarHBondContact O-N 3.33Å; Y192-Q194 VanDerWaalsContact C-N 3.35Å; Y192-R195 WeakPolarHBondContact O-CB 3.31Å; Y192-R195 PolarHBondContact O-N 3.38Å; Y192-E196 HydrophobicContact CD1-CG 4.41Å; Y192-E196 HydrophobicContact CE1-CG 4.48Å; Y192-E196 PolarHBondContact O-N 2.71Å |
| 193 | V | 70.8 | Confident | 60.8 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.4 | -38.6 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | S189 R190 R195 Q197 | S189-V193 WeakPolarHBondContact O-CG2 3.42Å; S189-V193 PolarHBondContact O-N 2.9Å; R190-V193 PolarHBondContact O-N 2.89Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 2.67Å; V193-Q197 VanDerWaalsContact O-N 3.13Å |
| 194 | Q | 62.7 | Low | 59.4 | Low | 107 Ų | 107 | 128.7 Ų | 128.7 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.8 | -36.4 | 174.7 | -163 | 68.2 | 44.8 | 0 | 0 | 111.9 | R190 E191 Y192 N198 | R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 3.31Å; E191-Q194 PolarHBondContact O-N 2.85Å; Y192-Q194 VanDerWaalsContact C-N 3.35Å; Q194-N198 PolarHBondContact O-N 3.03Å; Q194-N198 VanDerWaalsContact O-N 3.16Å |
| 195 | R | 65.8 | Low | 57.4 | Low | 142 Ų | 142 | 133.2 Ų | 133.2 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.2 | -45.3 | 177.4 | -130.4 | 172.1 | -74.2 | -161.1 | -2.2 | 111.7 | E191 Y192 V193 N198 Q199 | E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 3.29Å; E191-R195 IonicContact OE2-NH2 3.01Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å; Y192-R195 WeakPolarHBondContact O-CB 3.31Å; Y192-R195 PolarHBondContact O-N 3.38Å; V193-R195 VanDerWaalsContact C-N 3.33Å; R195-N198 PolarHBondContact O-N 2.95Å; R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 2.97Å; R195-Q199 VanDerWaalsContact O-N 3.17Å |
| 196 | E | 66 | Low | 55.4 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -57.7 | -46.5 | 173.4 | -85.2 | -95.3 | 106.3 | 0 | 0 | 112.2 | Y192 N198 Q199 | Y192-E196 HydrophobicContact CD1-CG 4.41Å; Y192-E196 HydrophobicContact CE1-CG 4.48Å; Y192-E196 PolarHBondContact O-N 2.71Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.13Å; E196-Q199 PolarHBondContact O-N 3.48Å |
| 197 | Q | 54.6 | Low | 53.3 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.3 | -36.3 | 178.7 | -72 | -174.3 | 15.9 | 0 | 0 | 112.7 | V193 Q199 | V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 2.67Å; V193-Q197 VanDerWaalsContact O-N 3.13Å; Q197-Q199 VanDerWaalsContact C-N 3.31Å; Q197-Q199 PolarHBondContact O-N 3.09Å |
| 198 | N | 49.1 | Very low | 51.8 | Low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.5 | -18.7 | 177.4 | -75 | -10.4 | 0 | 0 | 0 | 113.6 | Q194 R195 E196 | Q194-N198 PolarHBondContact O-N 3.03Å; Q194-N198 VanDerWaalsContact O-N 3.16Å; R195-N198 PolarHBondContact O-N 2.95Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.13Å |
| 199 | Q | 52.4 | Low | 49.8 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -3.7 | 177.7 | -73.7 | 179.3 | 11.7 | 0 | 0 | 114.1 | R195 E196 Q197 R201 | R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 2.97Å; R195-Q199 VanDerWaalsContact O-N 3.17Å; E196-Q199 PolarHBondContact O-N 3.48Å; Q197-Q199 VanDerWaalsContact C-N 3.31Å; Q197-Q199 PolarHBondContact O-N 3.09Å; Q199-R201 PolarHBondContact O-N 3.45Å |
| 200 | Q | 42.2 | Very low | 47.5 | Very low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -95.8 | 30.3 | 179.6 | -63.7 | -170.4 | 11 | 0 | 0 | 114.4 | ||
| 201 | R | 38.2 | Very low | 45.2 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -120.2 | 143 | 160.3 | -69 | -167.2 | -173.3 | -178.1 | 5.2 | 110.1 | Q199 | Q199-R201 PolarHBondContact O-N 3.45Š|
| 202 | P | 34.9 | Very low | 43.3 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137.6 | 176.2 | -16.9 | 30.9 | 0 | 0 | 0 | 111.2 | ||
| 203 | A | 31.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 117.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 204 | E | 31.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 155.2 | 163.7 | -163.9 | 157.2 | -140.5 | 0 | 0 | 109.2 | ||
| 205 | M | 29.2 | Very low | 39.1 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -75 | 139 | -164.4 | -176.1 | 169.9 | 158.8 | 0 | 0 | 112.5 | ||
| 206 | V | 31.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | -116.8 | 137.2 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 207 | D | 27.9 | Very low | 35.4 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -150.6 | 159 | 160.5 | -106.4 | -34.4 | 0 | 0 | 0 | 108.8 | ||||
| 208 | P | 44 | Very low | 34.1 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | -129 | 159.8 | -112.9 | 40.2 | -27.7 | 0 | 0 | 0 | 118.6 | |||||
| 209 | I | 30.1 | Very low | 33 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | 66.5 | 111.6 | 155.1 | -61.3 | 154.4 | 0 | 0 | 0 | 119.1 | ||||
| 210 | S | 27.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -158 | -179.4 | 132.2 | -161.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 211 | K | 29.6 | Very low | 31.1 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -111 | 135.7 | -161.5 | -56.1 | 174.7 | -177.1 | 175.2 | 0 | 114.5 | ||||
| 212 | V | 27.7 | Very low | 30.7 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | 38.7 | 134.7 | 123.8 | -176.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 213 | P | 37.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -128 | -130.3 | -3.7 | 36.7 | -11.7 | 0 | 0 | 0 | 113.7 | ||||
| 214 | P | 45.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -132.3 | -173 | -128.3 | 41.4 | -18.4 | 0 | 0 | 0 | 118.2 | |||||
| 215 | A | 25.2 | Very low | 29.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | 100.6 | 163.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 216 | E | 26.8 | Very low | 29.7 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | 74.6 | 88.9 | 166.1 | -51.9 | -160.8 | 168.4 | 0 | 0 | 120.9 | ||||
| 217 | S | 27.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | 22.7 | 143 | 122.2 | 58.8 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 218 | V | 25.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | 61.5 | 161 | 152.6 | -63.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 219 | S | 26 | Very low | 30.2 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -167 | 147.9 | -34.2 | 56.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 220 | F | 26.2 | Very low | 30.4 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 49.9 | 117.5 | 147.5 | -124.3 | -100.5 | 0 | 0 | 0 | 121.9 | ||||
| 221 | E | 29.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 60.4 | 172.7 | 159.8 | -65.2 | -175.9 | 156.2 | 0 | 0 | 116 | ||||
| 222 | Q | 28.8 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | cis | -149.5 | 124.1 | 9.8 | -163 | 166.6 | -5.5 | 0 | 0 | 113.2 | ||||
| 223 | Q | 27.9 | Very low | 30.6 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | trans | 52.2 | 126.5 | 132.7 | -151.5 | 166.4 | 34.9 | 0 | 0 | 122.6 | ||||
| 224 | Q | 27.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | 65.1 | 132.1 | 145.4 | -78.9 | -178.3 | 27.3 | 0 | 0 | 118.8 | ||||
| 225 | R | 24.6 | Very low | 29.8 | Very low | 212 Ų | 212 | 138.2 Ų | 138.2 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | cis | -139 | -162 | 19.2 | -59.8 | -169.5 | 174.4 | 138.4 | 9.4 | 109.1 | ||||
| 226 | C | 25.8 | Very low | 30 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -153.9 | -143.2 | 10.7 | -154.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 227 | S | 30.9 | Very low | 30.1 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -153.3 | -175 | -179.1 | -41.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 228 | P | 54.7 | Low | 30.2 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -144.3 | 166.1 | 12 | 39.7 | -19 | 0 | 0 | 0 | 119.1 | ||||
| 229 | I | 27.7 | Very low | 30.4 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | 162.3 | 132.8 | 123.8 | -84.8 | 164.2 | 0 | 0 | 0 | 112.4 | |||||
| 230 | R | 35.7 | Very low | 30.6 | Very low | 214 Ų | 214 | 143 Ų | 143 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | 12.4 | 153.2 | 155.3 | -71.2 | 178.9 | 174.5 | -101.1 | 7 | 122 | ||||
| 231 | D | 30.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | -158.9 | 159.6 | 4.3 | -128 | -42.1 | 0 | 0 | 0 | 113.8 | ||||
| 232 | S | 31.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 58.2 | 143.2 | 168.3 | 69.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 233 | G | 27.5 | Very low | 31.2 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | cis | -173.2 | 133.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 234 | I | 33.1 | Very low | 31.9 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -136.9 | 159.4 | -161.9 | -74.1 | 172.7 | 0 | 0 | 0 | 107.7 | ||||
| 235 | E | 33.3 | Very low | 31.9 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | 169.6 | -168.9 | -21.2 | -155.9 | -165.1 | -169.3 | 0 | 0 | 104.3 | ||||
| 236 | F | 29.8 | Very low | 32 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | trans | -40.9 | 160.3 | 179.5 | -89 | -125.7 | 0 | 0 | 0 | 119.1 | ||||
| 237 | G | 28 | Very low | 32.9 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 161.3 | 119.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 238 | F | 29.3 | Very low | 32.8 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -77.8 | 149.5 | -179.9 | -75.6 | -102.2 | 0 | 0 | 0 | 115.8 | ||||
| 239 | S | 31 | Very low | 32.5 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 109.1 | 147.7 | 126.3 | -124.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 240 | L | 29.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 108.9 | 153.2 | -64.2 | 161.3 | 0 | 0 | 0 | 122.8 | ||||
| 241 | H | 28.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | 83.3 | 149 | 136.7 | -67.9 | -50 | 0 | 0 | 0 | 124.4 | ||||
| 242 | H | 29.2 | Very low | 32.1 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 81.3 | 154.4 | 159.1 | -57.7 | -54.1 | 0 | 0 | 0 | 121 | ||||
| 243 | S | 38.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -117.9 | 153.6 | -176 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 244 | P | 43.1 | Very low | 33.4 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -127.1 | 162.9 | 124.8 | 8.5 | 14.4 | 0 | 0 | 0 | 110.1 | |||||
| 245 | V | 28.1 | Very low | 34.2 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | cis | 71.6 | 124.5 | 44 | -174.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 246 | G | 27.2 | Very low | 33.9 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -88.2 | -159.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 247 | P | 43.9 | Very low | 33.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | cis | -142.9 | -167.1 | 38.2 | 42 | -21.5 | 0 | 0 | 0 | 117.7 | ||||
| 248 | T | 28.4 | Very low | 34.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -60.5 | -179.2 | 172.8 | 43.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 249 | P | 48.6 | Very low | 35 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | cis | -149 | 178.9 | 21.3 | 45.2 | -25.7 | 0 | 0 | 0 | 120.1 | ||||
| 250 | M | 26.2 | Very low | 36 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -156.2 | 120.5 | 138.8 | -83.1 | -143.9 | 74.1 | 0 | 0 | 113.4 | ||||
| 251 | Q | 31 | Very low | 36 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | 21.6 | 147.5 | 130.2 | -93.6 | -171.5 | -27.1 | 0 | 0 | 122.1 | ||||
| 252 | Q | 27.5 | Very low | 36.1 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | cis | -139.5 | -172 | 10.6 | -61.1 | -170.3 | -15.7 | 0 | 0 | 113.7 | ||||
| 253 | Q | 25.9 | Very low | 36.1 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -149.6 | -170 | -170.2 | -72.7 | -164.8 | -62.8 | 0 | 0 | 111.7 | ||||
| 254 | P | 60.7 | Low | 35.6 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -114.9 | -88.7 | -42.3 | 26.7 | -6.4 | 0 | 0 | 0 | 108.5 | ||||
| 255 | P | 51 | Low | 35.4 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | -59.2 | -165.1 | -58.9 | -21.2 | 37.8 | 0 | 0 | 0 | 113.8 | |||||
| 256 | Y | 25.5 | Very low | 35.4 | Very low | 226 Ų | 226 | 131.8 Ų | 131.8 | 89% | 0.886 | 74% | 0.736 | S | S | * | * | cis | -152.6 | -170.7 | -9.2 | -129.4 | -40.1 | 0 | 0 | 0 | 109.8 | ||||
| 257 | D | 31.5 | Very low | 35.5 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | -159.8 | 173.8 | 179 | -172.5 | 34.6 | 0 | 0 | 0 | 109.4 | S259 | D257-S259 VanDerWaalsContact CG-N 3.34Å; D257-S259 PolarHBondContact OD1-N 3.25Å; D257-S259 PolarHBondContact OD2-N 2.87Å | ||
| 258 | P | 46.3 | Very low | 35.8 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | -156.8 | 109.8 | 95.1 | 38.3 | -16.2 | 0 | 0 | 0 | 118.6 | |||||
| 259 | S | 34 | Very low | 35.7 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | 61.6 | -171.9 | 124.1 | 86.7 | 0 | 0 | 0 | 0 | 120.6 | D257 | D257-S259 VanDerWaalsContact CG-N 3.34Å; D257-S259 PolarHBondContact OD1-N 3.25Å; D257-S259 PolarHBondContact OD2-N 2.87Å | |||
| 260 | P | 50.6 | Low | 35.1 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -136.7 | 173.6 | -16.7 | 33.6 | -13 | 0 | 0 | 0 | 117.2 | ||||
| 261 | Q | 30.8 | Very low | 35.7 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 84.7 | 144.2 | 157.1 | -43.2 | -152.3 | 64.3 | 0 | 0 | 119.2 | ||||
| 262 | K | 29.4 | Very low | 35.4 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | 172.8 | 153.7 | -26.3 | -102.1 | 164 | -163.5 | 167.7 | 0 | 106.1 | ||||
| 263 | S | 30.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -176.6 | 133.3 | -18.1 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 264 | V | 26.7 | Very low | 35.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | 45.8 | 147.3 | 126.7 | 179.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 265 | P | 39.3 | Very low | 33.9 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | cis | -138.6 | 174.6 | 12.7 | 24.9 | 2 | 0 | 0 | 0 | 119.6 | ||||
| 266 | L | 28.2 | Very low | 32.9 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | 31.2 | 119.3 | 140.4 | -56.5 | 166.9 | 0 | 0 | 0 | 123.9 | ||||
| 267 | S | 30.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 49.6 | 165.5 | 132.8 | -130.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 268 | P | 50.5 | Low | 33.7 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -122 | -136.6 | -21.5 | 32.4 | -10.1 | 0 | 0 | 0 | 111.8 | ||||
| 269 | V | 26.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | trans | 91.6 | 155.5 | 161.8 | -178.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 270 | K | 35.1 | Very low | 33.2 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 81% | 0.809 | 75% | 0.75 | S | S | * | * | trans | -111.8 | 154.1 | 178.8 | -53.7 | 172.1 | -177.7 | 172.5 | 0 | 111.6 | ||||
| 271 | P | 37.9 | Very low | 32.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | -130.1 | 152.4 | 118.4 | 6.4 | 16 | 0 | 0 | 0 | 111.2 | |||||
| 272 | E | 26.2 | Very low | 32.2 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | cis | 85.8 | 107.1 | 49.7 | -72.5 | -127.2 | 116.5 | 0 | 0 | 116.8 | ||||
| 273 | R | 26.6 | Very low | 32.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 70.6 | 103.4 | 137.9 | -58.4 | -171.9 | -156.5 | -166.7 | 15.1 | 123.7 | ||||
| 274 | Y | 27.5 | Very low | 32.6 | Very low | 215 Ų | 215 | 139 Ų | 139 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | 55.2 | 125.4 | 105.3 | -84.4 | -72.7 | 0 | 0 | 0 | 123.8 | |||||
| 275 | A | 28.3 | Very low | 32.6 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | trans | 80.9 | 155 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 276 | H | 28.7 | Very low | 32.5 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -136.9 | 144.2 | 16 | -83.6 | -90.7 | 0 | 0 | 0 | 115.1 | ||||
| 277 | L | 33.5 | Very low | 32.8 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | 17.8 | 153.5 | 120.3 | -72.6 | 177.5 | 0 | 0 | 0 | 120.3 | |||||
| 278 | P | 41.2 | Very low | 33.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -151.2 | 162.1 | 43.8 | 42.1 | -22.1 | 0 | 0 | 0 | 121 | ||||
| 279 | S | 27.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 157 | 137.4 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 280 | P | 42.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -111.4 | 145.3 | -165.5 | 39.2 | -31.8 | 0 | 0 | 0 | 117.4 | ||||
| 281 | E | 27.9 | Very low | 33 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 41.7 | 127.3 | 141.7 | -55.4 | -160.6 | 131.4 | 0 | 0 | 124.3 | ||||
| 282 | S | 31 | Very low | 33.2 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 86.5 | 113 | 136.4 | 77.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 283 | S | 32.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -173 | 155.9 | 100.1 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 284 | V | 35.8 | Very low | 34.2 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -131.2 | 132.2 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 285 | S | 26.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 151 Ų | 151 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -105 | 145.4 | -177.8 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 286 | P | 38.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | trans | -94.9 | 157.1 | -156.7 | 36 | -36.7 | 0 | 0 | 0 | 116.1 | ||||
| 287 | R | 34.4 | Very low | 35.3 | Very low | 235 Ų | 235 | 152.3 Ų | 152.3 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -114.3 | 140.1 | 160.4 | -71.5 | -172.9 | 176.2 | -167.3 | -0.4 | 110.6 | C289 | R287-C289 PolarHBondContact O-N 3.06Š| ||
| 288 | P | 35.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -83.2 | 106.3 | -172.9 | 31.3 | -34.8 | 0 | 0 | 0 | 113.5 | R290 | P288-R290 PolarHBondContact O-N 3.11Š| ||
| 289 | C | 33.6 | Very low | 35.2 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -74.8 | 107.8 | 170.6 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | R287 R291 | R287-C289 PolarHBondContact O-N 3.06Å; C289-R291 PolarHBondContact O-N 3.34Å; C289-R291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | R | 38.5 | Very low | 35.6 | Very low | 253 Ų | 253 | 150.4 Ų | 150.4 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | trans | -64.2 | 113.3 | 167.8 | -76.1 | -169.6 | 174 | -161 | -1.8 | 110 | P288 | P288-R290 PolarHBondContact O-N 3.11Š| ||
| 291 | R | 37.3 | Very low | 35.3 | Very low | 241 Ų | 241 | 152 Ų | 152 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143 | 177.8 | -71.7 | 177.1 | 169.8 | 162.8 | -3 | 110.8 | C289 | C289-R291 PolarHBondContact O-N 3.34Å; C289-R291 VanDerWaalsContact O-N 3.15Å |
| 292 | K | 42.1 | Very low | 35.3 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 141.8 | 163.1 | -60.6 | -177.5 | 179.6 | -174.2 | 0 | 109 | ||
| 293 | P | 34.6 | Very low | 35.5 | Very low | 129 Ų | 129 | 152 Ų | 152 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.7 | 167.4 | 28 | -33.5 | 0 | 0 | 0 | 109.8 | ||
| 294 | R | 40.5 | Very low | 35.5 | Very low | 232 Ų | 232 | 151.5 Ų | 151.5 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 153.2 | 163.7 | -75.6 | -179.1 | 174.6 | 170.3 | -3 | 108.2 | ||
| 295 | P | 35.4 | Very low | 35.8 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 145 | 170.7 | 26.8 | -34.8 | 0 | 0 | 0 | 110.3 | ||
| 296 | V | 35.6 | Very low | 36.4 | Very low | 145 Ų | 145 | 153 Ų | 153 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.5 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 297 | S | 36.6 | Very low | 36.5 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.9 | 175.3 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | G299 | S297-G299 PolarHBondContact O-N 2.99Š|
| 298 | T | 40.1 | Very low | 36.3 | Very low | 131 Ų | 131 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.3 | 168.3 | 42.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 299 | G | 31.3 | Very low | 36.5 | Very low | 64 Ų | 64 | 148.3 Ų | 148.3 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 133.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S297 I301 | S297-G299 PolarHBondContact O-N 2.99Å; G299-I301 PolarHBondContact O-N 2.87Å |
| 300 | N | 37.7 | Very low | 36.7 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.1 | 178.9 | -66.1 | -4.3 | 0 | 0 | 0 | 109.8 | ||
| 301 | I | 35.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 114.3 | 168.6 | -59.8 | 177.5 | 0 | 0 | 0 | 107.4 | G299 I303 | G299-I301 PolarHBondContact O-N 2.87Å; I301-I303 PolarHBondContact O-N 3.31Å | ||
| 302 | H | 28.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 120.2 | 168.2 | -80.7 | -110.5 | 0 | 0 | 0 | 109 | S304 | H302-S304 PolarHBondContact O-N 2.68Š| ||
| 303 | I | 35.7 | Very low | 36 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 104.9 | 174.3 | -56.7 | 175.9 | 0 | 0 | 0 | 108 | I301 F305 | I301-I303 PolarHBondContact O-N 3.31Å; I303-F305 HydrophobicContact CB-CE2 4.4Å; I303-F305 HydrophobicContact CG2-CD2 3.86Å; I303-F305 HydrophobicContact CG2-CE1 4.24Å; I303-F305 HydrophobicContact CG2-CE2 3.53Å; I303-F305 HydrophobicContact CG2-CG 4.35Å; I303-F305 HydrophobicContact CG2-CZ 3.74Å | ||
| 304 | S | 32.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -90.2 | 101.3 | 170.7 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | H302 P306 | H302-S304 PolarHBondContact O-N 2.68Å; S304-P306 WeakPolarHBondContact O-CD 3.18Å | ||
| 305 | F | 40.6 | Very low | 35.5 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -81.6 | 131.6 | 166.8 | -65.2 | -82.8 | 0 | 0 | 0 | 110.4 | I303 | I303-F305 HydrophobicContact CB-CE2 4.4Å; I303-F305 HydrophobicContact CG2-CD2 3.86Å; I303-F305 HydrophobicContact CG2-CE1 4.24Å; I303-F305 HydrophobicContact CG2-CE2 3.53Å; I303-F305 HydrophobicContact CG2-CG 4.35Å; I303-F305 HydrophobicContact CG2-CZ 3.74Å | ||
| 306 | P | 40 | Very low | 35.6 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -106 | 103.6 | 153.1 | 33.2 | -23.2 | 0 | 0 | 0 | 109.5 | S304 | S304-P306 WeakPolarHBondContact O-CD 3.18Š| ||
| 307 | I | 39.6 | Very low | 35.8 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | trans | -122.9 | 115.8 | 154.5 | -60.3 | 179.1 | 0 | 0 | 0 | 106.3 | ||||
| 308 | A | 32.1 | Very low | 35.3 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -137.1 | 132.6 | 166 | 0 | 0 | 0 | 0 | 0 | 107.3 | A310 | A308-A310 PolarHBondContact O-N 3.01Š| ||
| 309 | P | 39.3 | Very low | 35.1 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -86.6 | 111.3 | -172.8 | 32.3 | -32.1 | 0 | 0 | 0 | 111 | ||||
| 310 | A | 36.4 | Very low | 35 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 65% | 0.653 | 80% | 0.801 | S | S | * | * | trans | -139 | -55.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A308 L312 | A308-A310 PolarHBondContact O-N 3.01Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.69Å | ||
| 311 | D | 36.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -88.2 | 58.9 | -166.9 | -56.3 | -42.5 | 0 | 0 | 0 | 113.7 | ||||
| 312 | L | 36 | Very low | 34.5 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -106.9 | 154.4 | 159.3 | -74.2 | 175.8 | 0 | 0 | 0 | 109.8 | A310 | A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.69Å | ||
| 313 | I | 32 | Very low | 34.5 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | 85.9 | 133 | 176.9 | -52.4 | 168.6 | 0 | 0 | 0 | 114.4 | ||||
| 314 | A | 35.5 | Very low | 34.3 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -103.3 | 161.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 315 | R | 29.5 | Very low | 34 | Very low | 253 Ų | 253 | 133.4 Ų | 133.4 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | -150.1 | 117.1 | 166.8 | -119.8 | 175.5 | 178.4 | 172.6 | -0.8 | 111.6 | ||||
| 316 | S | 36.4 | Very low | 33.3 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -90.4 | 164.2 | 160 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 317 | P | 39.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | -152.3 | 168.4 | 89 | 39.5 | -21.5 | 0 | 0 | 0 | 116.5 | |||||
| 318 | G | 27 | Very low | 32.4 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 155.4 | 124.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 319 | R | 34.8 | Very low | 32.2 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -121.9 | 154.5 | -178.6 | -57.6 | -175.7 | -173.9 | -156.7 | -0.4 | 112.6 | E321 | R319-E321 WeakPolarHBondContact CD-OE1 3.22Å; R319-E321 IonicContact CZ-OE1 3.14Å; R319-E321 IonicContact NE-OE1 3.85Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.7Å | ||
| 320 | V | 28.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | -150.1 | 111.8 | 114.9 | -162.2 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 321 | E | 31.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 57% | 0.565 | 81% | 0.807 | S | S | * | * | 53 | 130.1 | 84 | -84 | 165.7 | -145.5 | 0 | 0 | 115.3 | R319 | R319-E321 WeakPolarHBondContact CD-OE1 3.22Å; R319-E321 IonicContact CZ-OE1 3.14Å; R319-E321 IonicContact NE-OE1 3.85Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.7Å | |||
| 322 | D | 31.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | cis | -158.1 | -174.4 | -18.7 | -136.8 | 47.9 | 0 | 0 | 0 | 108.5 | ||||
| 323 | G | 28.2 | Very low | 30.4 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | cis | 169.1 | -160.6 | 10.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 324 | A | 31.2 | Very low | 30.2 | Very low | 110 Ų | 110 | 141 Ų | 141 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 51 | 99.4 | 164 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 325 | G | 27 | Very low | 29.8 | Very low | 85 Ų | 85 | 142 Ų | 142 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 179.1 | 124.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 326 | R | 26.5 | Very low | 29.8 | Very low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -131.6 | 167.6 | -166.9 | -156.1 | 176 | 79.6 | -169.2 | 5 | 113 | ||||
| 327 | V | 31.1 | Very low | 29.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | 91.7 | 98.7 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 328 | D | 28.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | cis | 76.6 | 117.2 | 48.4 | -168.5 | 24.4 | 0 | 0 | 0 | 114.2 | ||||
| 329 | W | 28.5 | Very low | 28.8 | Very low | 242 Ų | 242 | 135 Ų | 135 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -168.1 | 105.8 | 154.2 | -84.2 | 113.8 | 0 | 0 | 0 | 109.6 | ||||
| 330 | S | 25.9 | Very low | 28.3 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 156.7 | 135.9 | -59.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 331 | E | 27.3 | Very low | 28.3 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | cis | -163.8 | -161.4 | 36.1 | -154.4 | -169.8 | 150.7 | 0 | 0 | 109.9 | ||||
| 332 | V | 26.6 | Very low | 28 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 91.2 | 142.8 | 166.6 | -168.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 333 | L | 30.2 | Very low | 27.8 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -118.7 | 167.1 | -158.9 | -67 | 161.7 | 0 | 0 | 0 | 112.6 | ||||
| 334 | S | 29 | Very low | 27.6 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 53.7 | 97.7 | 143.6 | -64.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 335 | A | 27.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -147.4 | 160.6 | 132 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 336 | G | 28.4 | Very low | 27.4 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -169.6 | -164.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 337 | S | 28.9 | Very low | 27.3 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 81.3 | 104.2 | 166.9 | -168.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 338 | I | 27 | Very low | 27.2 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 80.7 | 110.4 | 129.2 | -66 | 177.7 | 0 | 0 | 0 | 120.9 | |||||
| 339 | C | 26.1 | Very low | 27.3 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 69.6 | 166.7 | 138.7 | 88.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 340 | N | 23.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 71.4 | 99.2 | 164.2 | -79.6 | 17.8 | 0 | 0 | 0 | 121 | ||||
| 341 | W | 28.7 | Very low | 27.7 | Very low | 270 Ų | 270 | 146.5 Ų | 146.5 | 100% | 1.023 | 78% | 0.782 | S | S | * | * | trans | -140 | 159.2 | 133.8 | -64 | 101.2 | 0 | 0 | 0 | 107 | ||||
| 342 | G | 26.6 | Very low | 27.8 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 175.9 | 160.3 | 0.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 343 | V | 26.2 | Very low | 28 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -109.8 | 142.1 | -170.1 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 344 | E | 25.7 | Very low | 28 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 167.4 | 169.1 | -79 | 177.5 | -171.3 | 0 | 0 | 116.6 | ||||
| 345 | R | 24.2 | Very low | 27.9 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | cis | -140.2 | -175.4 | 5 | -149 | 167 | -110.4 | -151.3 | -4.9 | 112.3 | ||||
| 346 | R | 28.5 | Very low | 28 | Very low | 214 Ų | 214 | 140 Ų | 140 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -57.5 | 175.1 | 171.5 | -50.2 | -175.9 | 179.2 | -163.7 | 0.8 | 112.5 | ||||
| 347 | D | 25.9 | Very low | 28 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | cis | -155.4 | 178 | 29.5 | -134.3 | -47.2 | 0 | 0 | 0 | 117.5 | ||||
| 348 | S | 28.6 | Very low | 28 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -65 | 165.7 | -173.8 | -46.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 349 | S | 30.2 | Very low | 28.6 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | 152.6 | 134.3 | 102.2 | -158.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 350 | R | 31.9 | Very low | 28.5 | Very low | 223 Ų | 223 | 142.2 Ų | 142.2 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | 64.5 | 107.1 | 145.8 | -72.1 | 165.7 | -158.2 | -143.6 | 1.3 | 123.7 | ||||
| 351 | R | 31.5 | Very low | 28.8 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | 66.9 | 117.1 | 112.2 | -74.6 | -172.6 | 175.2 | -149.4 | 0.7 | 122.7 | |||||
| 352 | S | 27.9 | Very low | 28.7 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | 98.4 | 153.1 | 113.9 | -165.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 353 | S | 31.1 | Very low | 28.6 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | trans | 85.6 | 97.1 | 147.6 | 6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 354 | H | 29.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | 62.9 | 123.9 | 125.3 | -49.2 | -48.5 | 0 | 0 | 0 | 124.1 | |||||
| 355 | C | 27.7 | Very low | 28.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | 61.6 | 78.6 | 131.2 | -56.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 356 | G | 29.2 | Very low | 29.9 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | 46.9 | 132.3 | 111.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 357 | T | 28.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 92% | 0.92 | 74% | 0.739 | S | S | * | * | trans | -149.5 | 158.6 | 147.2 | 23 | 0 | 0 | 0 | 0 | 110 | ||||
| 358 | S | 27.7 | Very low | 29.9 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | -97.8 | 163 | 165.4 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | V360 | S358-V360 PolarHBondContact OG-N 2.76Š| ||
| 359 | P | 40.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | -143.4 | 126.8 | 105.7 | 36.1 | -21.5 | 0 | 0 | 0 | 115.9 | Q361 | P359-Q361 PolarHBondContact O-N 2.58Š| |||
| 360 | V | 25 | Very low | 29.5 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | 12.1 | 103.6 | 114.6 | 178.6 | 0 | 0 | 0 | 0 | 113.8 | S358 | S358-V360 PolarHBondContact OG-N 2.76Š| |||
| 361 | Q | 29.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | 77.4 | 117.5 | 80.9 | 179 | -152.1 | 103 | 0 | 0 | 114.8 | P359 | P359-Q361 PolarHBondContact O-N 2.58Š| |||
| 362 | E | 25.3 | Very low | 29.6 | Very low | 152 Ų | 152 | 120.4 Ų | 120.4 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | trans | -140.2 | 123.8 | 149.5 | -79.5 | -132.3 | 139.2 | 0 | 0 | 107.2 | ||||
| 363 | K | 25.4 | Very low | 29.5 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | 72.8 | 139.3 | 84.9 | -69 | 175.4 | -157.1 | 164.9 | 0 | 112.2 | |||||
| 364 | N | 25.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -152.2 | 136.6 | 19.5 | -104.7 | -28.4 | 0 | 0 | 0 | 110.1 | ||||
| 365 | S | 27.3 | Very low | 29.1 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | 105.8 | 177.4 | 99.4 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 366 | P | 51.2 | Low | 29 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | -134.7 | -145.8 | -99.2 | 41.6 | -20.5 | 0 | 0 | 0 | 114.1 | |||||
| 367 | V | 27.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 78.6 | 102.4 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 368 | S | 26.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | 94 | 149 | 54.8 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 369 | S | 26.5 | Very low | 28.7 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | 69.1 | 154.1 | 179.1 | 75.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 370 | S | 23.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | -178.3 | 114.8 | -61.3 | 45 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 371 | V | 27.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | 63.8 | 165.8 | 157 | -171.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 372 | P | 39 | Very low | 28.9 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -91.4 | -177.1 | -31.9 | 13 | 10.5 | 0 | 0 | 0 | 110.8 | ||||
| 373 | S | 25.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | 84.6 | 155.9 | 25 | -152 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 374 | A | 26.1 | Very low | 30.1 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | 70.1 | 141.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 375 | M | 25.6 | Very low | 30.3 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | cis | 106.5 | 97.6 | 11 | -176.3 | -172.8 | 160.3 | 0 | 0 | 115.1 | ||||
| 376 | T | 25.8 | Very low | 30.9 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -160.9 | 133.9 | 161 | 18 | 0 | 0 | 0 | 0 | 107 | ||||
| 377 | H | 25.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 55% | 0.546 | 75% | 0.746 | S | S | . | * | cis | 67.6 | 132 | 27.5 | -55.5 | -91.8 | 0 | 0 | 0 | 113.3 | ||||
| 378 | H | 27.7 | Very low | 31 | Very low | 149 Ų | 149 | 136 Ų | 136 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -156.8 | -158 | 3.4 | -127.4 | -37.6 | 0 | 0 | 0 | 112.1 | ||||
| 379 | D | 27.4 | Very low | 31.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 73.2 | 151.2 | 160.9 | -55.2 | -19.1 | 0 | 0 | 0 | 120.6 | ||||
| 380 | H | 32.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -165.7 | 178 | -45.8 | -121.5 | -49.3 | 0 | 0 | 0 | 110.6 | ||||
| 381 | L | 35.9 | Very low | 32.2 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | 99.5 | 156.2 | 165 | -58.3 | 178.8 | 0 | 0 | 0 | 120.3 | ||||
| 382 | S | 31.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -118.5 | 157.6 | -158.3 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 383 | L | 43.6 | Very low | 31.9 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 97% | 0.969 | 75% | 0.752 | S | S | * | * | trans | -168.7 | 129.9 | 137 | -104.7 | 164.3 | 0 | 0 | 0 | 109.4 | ||||
| 384 | G | 32.6 | Very low | 32.4 | Very low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -124.6 | 159.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 385 | F | 29.5 | Very low | 32.5 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 54% | 0.544 | 75% | 0.749 | S | S | . | * | trans | 70.2 | 132.3 | -177.6 | -72.8 | -110.2 | 0 | 0 | 0 | 114.9 | R388 C389 T391 | F385-R388 HydrophobicContact CD1-CB 4.5Å; F385-R388 HydrophobicContact CE1-CB 4.04Å; F385-C389 HydrophobicContact CE1-CB 4.4Å; F385-C389 VanDerWaalsContact CE1-SG 3.55Å; F385-C389 HydrophobicContact CZ-CB 4.12Å; F385-C389 VanDerWaalsContact CZ-N 3.27Å; F385-C389 VanDerWaalsContact CZ-SG 3.58Å; F385-T391 HydrophobicContact CE2-CG2 4.05Å | ||
| 386 | R | 38.5 | Very low | 33 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -145.9 | 145.8 | 45.6 | -110.5 | -167.3 | -162.1 | -123 | 5.2 | 109.1 | ||
| 387 | R | 43.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | S | Bend | cis | -155.7 | 126.8 | 23.7 | -52.4 | 175.5 | -162.8 | -117.5 | -13.9 | 108.4 | ||
| 388 | R | 36.1 | Very low | 33.3 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -149.3 | 148.8 | -5.7 | -50.8 | -174.3 | -173 | -155.8 | 4.2 | 110.1 | F385 | F385-R388 HydrophobicContact CD1-CB 4.5Å; F385-R388 HydrophobicContact CE1-CB 4.04Å | ||
| 389 | C | 33.1 | Very low | 33.4 | Very low | 86 Ų | 86 | 146.4 Ų | 146.4 | 58% | 0.581 | 75% | 0.749 | S | S | * | * | trans | 62 | 79.6 | 156.3 | -50.7 | 0 | 0 | 0 | 0 | 119 | F385 | F385-C389 HydrophobicContact CE1-CB 4.4Å; F385-C389 VanDerWaalsContact CE1-SG 3.55Å; F385-C389 HydrophobicContact CZ-CB 4.12Å; F385-C389 VanDerWaalsContact CZ-N 3.27Å; F385-C389 VanDerWaalsContact CZ-SG 3.58Å | ||
| 390 | H | 33.1 | Very low | 33.7 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | trans | -127.7 | 123.4 | 133.1 | -106.7 | -80.8 | 0 | 0 | 0 | 107.9 | ||||
| 391 | T | 35.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -132.6 | 116.6 | 176.1 | 45 | 0 | 0 | 0 | 0 | 107.3 | F385 | F385-T391 HydrophobicContact CE2-CG2 4.05Š| ||
| 392 | L | 33.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | -80.9 | 125.6 | 158.6 | -73.9 | 174.6 | 0 | 0 | 0 | 107 | ||||
| 393 | D | 27.2 | Very low | 33.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -132.6 | 131.9 | 151.2 | -123.8 | -38.6 | 0 | 0 | 0 | 107.2 | ||||
| 394 | S | 35.6 | Very low | 33.5 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -146.1 | 75.1 | -176.3 | 172.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 395 | Q | 29.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -120.9 | 138 | 160.7 | -81.7 | -64.8 | -5.7 | 0 | 0 | 109.9 | ||||
| 396 | L | 36.4 | Very low | 33.8 | Very low | 135 Ų | 135 | 146 Ų | 146 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | trans | -77 | 134.8 | 173.6 | -65.2 | 102.2 | 0 | 0 | 0 | 109.3 | ||||
| 397 | N | 27.3 | Very low | 33.8 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -151.1 | 113.8 | 117 | -92.7 | -48.9 | 0 | 0 | 0 | 108.9 | |||||
| 398 | T | 30.1 | Very low | 33.4 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 47% | 0.466 | 77% | 0.765 | S | S | . | * | 81.9 | 123.3 | 66 | -52 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 399 | F | 30.5 | Very low | 33.3 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | trans | 70.4 | 145.9 | -176.6 | -49.1 | -56.7 | 0 | 0 | 0 | 114.9 | ||||
| 400 | Q | 33.8 | Very low | 33.3 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -159.5 | 146.2 | -1.4 | -130.6 | 170.1 | 54.4 | 0 | 0 | 110.5 | ||||
| 401 | S | 34.9 | Very low | 33.3 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 92% | 0.923 | 78% | 0.775 | S | S | * | * | trans | 56.1 | 149.4 | 162.1 | -126 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 402 | G | 31.7 | Very low | 33.2 | Very low | 63 Ų | 63 | 150.5 Ų | 150.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 164.9 | 143.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 403 | A | 36.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 150 Ų | 150 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 28.8 | 115.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 404 | E | 34.7 | Very low | 33.9 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | 179 | 153 | 95.2 | -90.7 | -159.4 | 150.8 | 0 | 0 | 112.3 | |||||
| 405 | Q | 33.4 | Very low | 33.9 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -112.8 | 105.5 | -176 | -179.6 | -178.8 | -0.8 | 0 | 0 | 110.2 | ||||
| 406 | V | 35.1 | Very low | 34.3 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | trans | -116.7 | 115.3 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 407 | D | 39.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -61 | 147.2 | 170.4 | -175.4 | 2.5 | 0 | 0 | 0 | 111 | S409 | D407-S409 PolarHBondContact OD1-N 3.23Å; D407-S409 PolarHBondContact OD1-OG 2.97Å; D407-S409 VanDerWaalsContact OD1-OG 3.05Å; D407-S409 PolarHBondContact OD2-OG 3.35Å | ||
| 408 | R | 35.1 | Very low | 34.7 | Very low | 220 Ų | 220 | 155.5 Ų | 155.5 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -141.6 | 30.7 | -179.6 | -114.1 | -177.9 | -179.7 | 92.3 | 2.3 | 114.5 | Q410 | R408-Q410 PolarHBondContact O-N 2.77Š| ||
| 409 | S | 33.7 | Very low | 34.8 | Very low | 93 Ų | 93 | 155 Ų | 155 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 79 | 170.8 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | D407 | D407-S409 PolarHBondContact OD1-N 3.23Å; D407-S409 PolarHBondContact OD1-OG 2.97Å; D407-S409 VanDerWaalsContact OD1-OG 3.05Å; D407-S409 PolarHBondContact OD2-OG 3.35Å | ||
| 410 | Q | 33.4 | Very low | 34.9 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -138 | 142.6 | 155.6 | -76.7 | -156.6 | 2.5 | 0 | 0 | 112.6 | R408 | R408-Q410 PolarHBondContact O-N 2.77Š| ||
| 411 | E | 33.3 | Very low | 35 | Very low | 195 Ų | 195 | 150.2 Ų | 150.2 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 151 | -173.4 | -60.2 | 177.1 | 110.2 | 0 | 0 | 112.6 | ||||
| 412 | R | 33 | Very low | 34.9 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -133.6 | 95.3 | 173.9 | -159 | -177.9 | -60.1 | 166.3 | 3.7 | 110.9 | ||||
| 413 | L | 36.4 | Very low | 34.9 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -63 | 130 | 175.1 | -69.5 | 169.9 | 0 | 0 | 0 | 110.9 | R415 | L413-R415 PolarHBondContact O-N 3.26Š| ||
| 414 | P | 38.2 | Very low | 34.4 | Very low | 114 Ų | 114 | 158.9 Ų | 158.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -79.4 | 108.4 | 178.3 | 30.2 | -33 | 0 | 0 | 0 | 111.6 | ||||
| 415 | R | 35.9 | Very low | 34.8 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -83.7 | 128.9 | 159 | -86.4 | -178.7 | 161.4 | 131 | -6.2 | 109.4 | L413 | L413-R415 PolarHBondContact O-N 3.26Š| ||
| 416 | F | 38.2 | Very low | 34.4 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -95.2 | 157.1 | 165.3 | -100 | -92.2 | 0 | 0 | 0 | 111.1 | ||||
| 417 | M | 38.4 | Very low | 34.2 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -89 | -176.3 | -173 | -54.1 | -175.4 | 69.1 | 0 | 0 | 111.7 | ||||
| 418 | A | 34 | Very low | 33.8 | Very low | 96 Ų | 96 | 160.2 Ų | 160.2 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | cis | -153.7 | 177.7 | 10.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 419 | G | 30.6 | Very low | 33.6 | Very low | 67 Ų | 67 | 156 Ų | 156 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | -126.2 | -153 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 420 | V | 33.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | cis | -138.2 | 160.4 | 19.2 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 421 | T | 35 | Very low | 34 | Very low | 107 Ų | 107 | 152.8 Ų | 152.8 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | trans | -60 | 162.3 | 172.8 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 422 | W | 33.3 | Very low | 34.1 | Very low | 226 Ų | 226 | 147.8 Ų | 147.8 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | cis | -161.8 | 170.5 | -1.3 | -115.6 | 127 | 0 | 0 | 0 | 108.5 | ||||
| 423 | L | 31.1 | Very low | 34.8 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 76.8 | 145 | 159.2 | -69.7 | 158.3 | 0 | 0 | 0 | 119.8 | ||||
| 424 | A | 27 | Very low | 34.6 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -136.6 | -173.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 425 | P | 41.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -158.5 | 172.9 | 74.7 | 42.3 | -22.5 | 0 | 0 | 0 | 117.8 | |||||
| 426 | S | 26.1 | Very low | 34.1 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 69.5 | 147.2 | 152.3 | -67.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 427 | R | 30.4 | Very low | 33.7 | Very low | 210 Ų | 210 | 133.1 Ų | 133.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -164 | 167 | -7.2 | -117.8 | 168.7 | -149.3 | -108.4 | 9.7 | 110.8 | ||||
| 428 | R | 32 | Very low | 33.4 | Very low | 230 Ų | 230 | 134.3 Ų | 134.3 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | 69.3 | 106.5 | 158.4 | -68.6 | 169.5 | -170.3 | -160.4 | 4.1 | 118.9 | ||||
| 429 | T | 31.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | -65.3 | 168.7 | 127 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 430 | P | 43.1 | Very low | 33.8 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | cis | -120.1 | -162.4 | 16.3 | 45.2 | -29.5 | 0 | 0 | 0 | 111.9 | ||||
| 431 | A | 30.6 | Very low | 33.7 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | cis | -151 | 165 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 432 | A | 36.3 | Very low | 33.9 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 165 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 433 | P | 48.2 | Very low | 34.2 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -152.4 | -153.9 | 40 | 42.1 | -18.4 | 0 | 0 | 0 | 115.8 | ||||
| 434 | L | 31.6 | Very low | 34.3 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 90.1 | 89.5 | 150.1 | -118 | 65.2 | 0 | 0 | 0 | 119.7 | ||||
| 435 | N | 31.1 | Very low | 34.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | 65 | 132.6 | 118.6 | -80.7 | -51.6 | 0 | 0 | 0 | 123.2 | |||||
| 436 | Q | 31.9 | Very low | 34 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 81.6 | 108.3 | 130.2 | -71.6 | 166.8 | 38.2 | 0 | 0 | 120.9 | ||||
| 437 | S | 30.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 64 | 103.4 | 116.1 | -177.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 438 | Y | 32.9 | Very low | 34.6 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -152.9 | 133.3 | 139.8 | -178.4 | -144.6 | 0 | 0 | 0 | 110 | V440 | Y438-V440 HydrophobicContact CD1-CG2 3.58Å; Y438-V440 HydrophobicContact CE1-CG2 3.35Å; Y438-V440 HydrophobicContact CG-CG2 4.32Å | ||
| 439 | K | 38.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -79.2 | 136 | 164.9 | -93.5 | -174 | 170.6 | -172.6 | 0 | 108.3 | ||||
| 440 | V | 32.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | -127.1 | 133.8 | 160.1 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | Y438 | Y438-V440 HydrophobicContact CD1-CG2 3.58Å; Y438-V440 HydrophobicContact CE1-CG2 3.35Å; Y438-V440 HydrophobicContact CG-CG2 4.32Å | ||
| 441 | E | 32.8 | Very low | 35 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 157.7 | 176.5 | -66.9 | 156 | 123.4 | 0 | 0 | 110.6 | P443 | E441-P443 WeakPolarHBondContact O-CD 3.28Š| ||
| 442 | S | 37.5 | Very low | 35 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 127.2 | 169.9 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 443 | P | 40.7 | Very low | 34.8 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 143.3 | 141.3 | 37.5 | -29.3 | 0 | 0 | 0 | 112.9 | E441 | E441-P443 WeakPolarHBondContact O-CD 3.28Š| ||
| 444 | S | 33.4 | Very low | 34.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -97.2 | 126.6 | 172.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 445 | A | 32.3 | Very low | 34.8 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -178.9 | 109.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 446 | C | 30.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 146 Ų | 146 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 48 | 158 | 134.6 | -56.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 447 | V | 31.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | 106.7 | 99.6 | 148 | -170.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 448 | L | 36.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 65.1 | 164 | 147.8 | -58 | 174.2 | 0 | 0 | 0 | 118.8 | ||||
| 449 | R | 34.5 | Very low | 35.6 | Very low | 218 Ų | 218 | 139 Ų | 139 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | cis | -164 | -168.8 | -1.4 | -127.5 | 177 | 177.1 | -175.2 | 0.9 | 108.3 | ||||
| 450 | P | 49.6 | Very low | 36.3 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -135.9 | 154.1 | -22.3 | 35.5 | -17.3 | 0 | 0 | 0 | 117.6 | ||||
| 451 | R | 30.5 | Very low | 36.2 | Very low | 254 Ų | 254 | 135.5 Ų | 135.5 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -174.7 | 161.3 | 138.6 | -106.3 | 178.4 | -178 | -145 | -1.3 | 110.2 | ||||
| 452 | G | 30.2 | Very low | 36.2 | Very low | 56 Ų | 56 | 133.9 Ų | 133.9 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | cis | 148.9 | 89.6 | -18.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 453 | T | 32.8 | Very low | 36 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 62.9 | 151.2 | 165.2 | 46.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 454 | P | 45.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 135 Ų | 135 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | -114.7 | -173.4 | 20.8 | 42.7 | -32.2 | 0 | 0 | 0 | 116.2 | ||||
| 455 | D | 33.3 | Very low | 36.5 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -113.8 | 147.1 | -175.8 | 179.9 | 23.7 | 0 | 0 | 0 | 110.3 | ||||
| 456 | E | 31.2 | Very low | 37.1 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -177.7 | 162.2 | 134.3 | -90.5 | -135.7 | 116.5 | 0 | 0 | 110.3 | ||||
| 457 | S | 34.1 | Very low | 38.1 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -122.7 | -176.5 | -173.3 | 76.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 458 | P | 47.7 | Very low | 38.8 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -133.3 | -179.4 | -5.9 | 29.2 | -6 | 0 | 0 | 0 | 115.5 | ||||
| 459 | V | 30.9 | Very low | 39.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -37.4 | 158.3 | 152.4 | -106.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 460 | P | 53.5 | Low | 40.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -152.5 | 180 | 42.7 | 45.1 | -24.6 | 0 | 0 | 0 | 120.5 | ||||
| 461 | N | 30.5 | Very low | 40 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | 85.4 | 102.3 | 145.2 | -70.6 | -23.2 | 0 | 0 | 0 | 122.6 | ||||
| 462 | N | 32.5 | Very low | 41.1 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 86.4 | 123.8 | 117.5 | -65.4 | -24.2 | 0 | 0 | 0 | 123.2 | |||||
| 463 | S | 35.2 | Very low | 42.1 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 98.5 | 137.4 | 141.5 | 85.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 464 | K | 41.3 | Very low | 43 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | 69 | 116.4 | 165.1 | -56 | 151.2 | -173.4 | 168.5 | 0 | 113.2 | ||||
| 465 | K | 42.2 | Very low | 43.3 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | 49 | 120.5 | 60.8 | -52.8 | -177.2 | 179.9 | -179 | 0 | 109.8 | |||||
| 466 | T | 45.4 | Very low | 44.3 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | cis | -148.5 | -154.1 | 31.7 | -28 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 467 | P | 50.3 | Low | 45.2 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | trans | -117.4 | 149.4 | -133.6 | 39.7 | -22.4 | 0 | 0 | 0 | 117.3 | ||||
| 468 | V | 46.1 | Very low | 46.3 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -133.5 | 5.6 | 170.5 | -163.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 469 | V | 50.6 | Low | 46.8 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | trans | -88 | -22 | -165.8 | -177.6 | 0 | 0 | 0 | 0 | 114.7 | R471 | V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 3.29Å; V469-R471 VanDerWaalsContact O-N 3.08Å | ||
| 470 | L | 48 | Very low | 48.1 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 15.9 | -166.4 | -146.2 | 82.6 | 0 | 0 | 0 | 116.5 | ||
| 471 | R | 48.5 | Very low | 48.8 | Very low | 210 Ų | 210 | 123.3 Ų | 123.3 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -29.7 | 172.4 | -90.2 | -171.5 | 167.9 | 115.9 | 0.6 | 114.2 | V469 T474 | V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 3.29Å; V469-R471 VanDerWaalsContact O-N 3.08Å; R471-T474 PolarHBondContact O-OG1 2.94Å |
| 472 | N | 52.9 | Low | 50.8 | Low | 106 Ų | 106 | 121.4 Ų | 121.4 | 57% | 0.567 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -84.5 | -22.4 | -165.9 | -59.1 | 12.6 | 0 | 0 | 0 | 112.9 | L476 | N472-L476 PolarHBondContact O-N 3.36Å |
| 473 | A | 50.3 | Low | 52.8 | Low | 70 Ų | 70 | 119 Ų | 119 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.2 | -48.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E475 L476 Q477 | A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 3.47Å; A473-L476 PolarHBondContact O-N 3.33Å; A473-Q477 PolarHBondContact O-N 3.14Å; A473-Q477 VanDerWaalsContact O-N 3.12Å |
| 474 | T | 52.7 | Low | 55.1 | Low | 84 Ų | 84 | 121 Ų | 121 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.5 | -36.3 | 175.1 | 28 | 0 | 0 | 0 | 0 | 112.1 | R471 L476 Q477 V478 | R471-T474 PolarHBondContact O-OG1 2.94Å; T474-L476 VanDerWaalsContact C-N 3.31Å; T474-L476 PolarHBondContact O-N 3.05Å; T474-Q477 PolarHBondContact O-N 3.09Å; T474-V478 WeakPolarHBondContact O-CB 3.19Å; T474-V478 WeakPolarHBondContact O-CG2 3.38Å; T474-V478 PolarHBondContact O-N 3.43Å |
| 475 | E | 51.3 | Low | 57.1 | Low | 107 Ų | 107 | 121 Ų | 121 | 50% | 0.5 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68 | -29.4 | 178 | -148.9 | -166.3 | 142.3 | 0 | 0 | 113.1 | A473 K479 | A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 3.47Å; E475-K479 WeakPolarHBondContact O-CB 3.3Å; E475-K479 VanDerWaalsContact O-CD 3.28Å; E475-K479 WeakPolarHBondContact O-CD 3.47Å; E475-K479 WeakPolarHBondContact O-CG 3.18Å; E475-K479 PolarHBondContact O-N 3.07Å; E475-K479 WeakPolarHBondContact OE1-CE 3.34Å; E475-K479 IonicContact OE1-NZ 2.59Å; E475-K479 PolarHBondContact OE1-NZ 2.95Å |
| 476 | L | 54.2 | Low | 59 | Low | 128 Ų | 128 | 117.5 Ų | 117.5 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.2 | -40.8 | 172.6 | -94.4 | 156.8 | 0 | 0 | 0 | 112.3 | N472 A473 T474 K479 S480 | N472-L476 PolarHBondContact O-N 3.36Å; A473-L476 PolarHBondContact O-N 3.33Å; T474-L476 VanDerWaalsContact C-N 3.31Å; T474-L476 PolarHBondContact O-N 3.05Å; L476-K479 PolarHBondContact O-N 3.09Å; L476-S480 PolarHBondContact O-N 3.39Å; L476-S480 VanDerWaalsContact O-N 3.09Å |
| 477 | Q | 51.4 | Low | 60.9 | Low | 120 Ų | 120 | 113.1 Ų | 113.1 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.4 | -47.7 | 178.8 | -170.6 | 169.4 | -5.6 | 0 | 0 | 111.7 | A473 T474 K479 S480 E481 | A473-Q477 PolarHBondContact O-N 3.14Å; A473-Q477 VanDerWaalsContact O-N 3.12Å; T474-Q477 PolarHBondContact O-N 3.09Å; Q477-K479 VanDerWaalsContact C-N 3.29Å; Q477-K479 PolarHBondContact O-N 3.41Å; Q477-S480 WeakPolarHBondContact O-CB 3.42Å; Q477-S480 PolarHBondContact O-N 3.48Å; Q477-S480 VanDerWaalsContact O-N 3.09Å; Q477-E481 PolarHBondContact O-N 2.87Å |
| 478 | V | 57.6 | Low | 62.8 | Low | 88 Ų | 88 | 112.9 Ų | 112.9 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.3 | -37.2 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | T474 E481 E482 | T474-V478 WeakPolarHBondContact O-CB 3.19Å; T474-V478 WeakPolarHBondContact O-CG2 3.38Å; T474-V478 PolarHBondContact O-N 3.43Å; V478-E481 PolarHBondContact O-N 2.87Å; V478-E482 VanDerWaalsContact O-CB 3.3Å; V478-E482 WeakPolarHBondContact O-CB 3.36Å; V478-E482 PolarHBondContact O-N 2.98Å |
| 479 | K | 56.4 | Low | 65 | Low | 101 Ų | 101 | 108 Ų | 108 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -36.5 | 175.3 | -76.4 | 169.5 | -169.3 | 168.7 | 0 | 112.6 | E475 L476 Q477 E482 T483 | E475-K479 WeakPolarHBondContact O-CB 3.3Å; E475-K479 VanDerWaalsContact O-CD 3.28Å; E475-K479 WeakPolarHBondContact O-CD 3.47Å; E475-K479 WeakPolarHBondContact O-CG 3.18Å; E475-K479 PolarHBondContact O-N 3.07Å; E475-K479 WeakPolarHBondContact OE1-CE 3.34Å; E475-K479 IonicContact OE1-NZ 2.59Å; E475-K479 PolarHBondContact OE1-NZ 2.95Å; L476-K479 PolarHBondContact O-N 3.09Å; Q477-K479 VanDerWaalsContact C-N 3.29Å; Q477-K479 PolarHBondContact O-N 3.41Å; K479-E482 PolarHBondContact O-N 3.35Å; K479-T483 WeakPolarHBondContact O-CG2 3.26Å; K479-T483 PolarHBondContact O-N 3.19Å; K479-T483 PolarHBondContact O-OG1 3.32Å |
| 480 | S | 58.5 | Low | 67 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 173.6 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | L476 Q477 E482 T483 Q484 | L476-S480 PolarHBondContact O-N 3.39Å; L476-S480 VanDerWaalsContact O-N 3.09Å; Q477-S480 WeakPolarHBondContact O-CB 3.42Å; Q477-S480 PolarHBondContact O-N 3.48Å; Q477-S480 VanDerWaalsContact O-N 3.09Å; S480-E482 VanDerWaalsContact C-N 3.33Å; S480-E482 PolarHBondContact O-N 3.36Å; S480-T483 PolarHBondContact O-N 3.04Å; S480-T483 PolarHBondContact O-OG1 3.07Å; S480-Q484 PolarHBondContact O-N 3.24Å |
| 481 | E | 69 | Low | 69.1 | Low | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 177.3 | -68.7 | 166.7 | -168.1 | 0 | 0 | 111.7 | Q477 V478 Q484 W485 | Q477-E481 PolarHBondContact O-N 2.87Å; V478-E481 PolarHBondContact O-N 2.87Å; E481-Q484 PolarHBondContact O-N 3.05Å; E481-W485 WeakPolarHBondContact O-CB 3.36Å; E481-W485 PolarHBondContact O-N 3.12Å |
| 482 | E | 71.9 | Confident | 71.2 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 176.9 | -158 | -163.4 | -160.4 | 0 | 0 | 112.5 | V478 K479 S480 R486 | V478-E482 VanDerWaalsContact O-CB 3.3Å; V478-E482 WeakPolarHBondContact O-CB 3.36Å; V478-E482 PolarHBondContact O-N 2.98Å; K479-E482 PolarHBondContact O-N 3.35Å; S480-E482 VanDerWaalsContact C-N 3.33Å; S480-E482 PolarHBondContact O-N 3.36Å; E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 3.27Å; E482-R486 IonicContact OE1-CZ 2.7Å; E482-R486 IonicContact OE1-NH1 2.95Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.14Å; E482-R486 IonicContact OE2-CZ 3.8Å; E482-R486 IonicContact OE2-NH1 3.91Å; E482-R486 PolarHBondContact OE2-NH1 3Å; E482-R486 IonicContact OE2-NH2 3.36Å; E482-R486 PolarHBondContact OE2-NH2 3.03Å |
| 483 | T | 75.5 | Confident | 73.1 | Confident | 85 Ų | 85 | 98 Ų | 98 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 171.8 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | K479 S480 R486 A487 | K479-T483 WeakPolarHBondContact O-CG2 3.26Å; K479-T483 PolarHBondContact O-N 3.19Å; K479-T483 PolarHBondContact O-OG1 3.32Å; S480-T483 PolarHBondContact O-N 3.04Å; S480-T483 PolarHBondContact O-OG1 3.07Å; T483-R486 PolarHBondContact O-N 3.42Å; T483-A487 PolarHBondContact O-N 3.22Å |
| 484 | Q | 82.4 | Confident | 75 | Confident | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 176.3 | -170.6 | 172.4 | 5.5 | 0 | 0 | 111.3 | S480 E481 R486 A487 Q488 | S480-Q484 PolarHBondContact O-N 3.24Å; E481-Q484 PolarHBondContact O-N 3.05Å; Q484-R486 VanDerWaalsContact C-N 3.35Å; Q484-R486 PolarHBondContact O-N 2.93Å; Q484-A487 PolarHBondContact O-N 3.33Å; Q484-Q488 WeakPolarHBondContact O-CB 3.45Å; Q484-Q488 PolarHBondContact O-N 3.49Å |
| 485 | W | 84.5 | Confident | 77 | Confident | 182 Ų | 182 | 101.6 Ų | 101.6 | 69% | 0.689 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 173.8 | -169.7 | 83.9 | 0 | 0 | 0 | 112.3 | E481 Q488 A489 | E481-W485 WeakPolarHBondContact O-CB 3.36Å; E481-W485 PolarHBondContact O-N 3.12Å; W485-Q488 PolarHBondContact O-N 2.87Å; W485-A489 VanDerWaalsContact O-CB 3.26Å; W485-A489 WeakPolarHBondContact O-CB 3.32Å; W485-A489 PolarHBondContact O-N 2.82Å |
| 486 | R | 81.6 | Confident | 79.1 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 173.2 | -76.8 | -178.6 | -177.8 | 110 | 9.6 | 113 | E482 T483 Q484 L490 | E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 3.27Å; E482-R486 IonicContact OE1-CZ 2.7Å; E482-R486 IonicContact OE1-NH1 2.95Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.14Å; E482-R486 IonicContact OE2-CZ 3.8Å; E482-R486 IonicContact OE2-NH1 3.91Å; E482-R486 PolarHBondContact OE2-NH1 3Å; E482-R486 IonicContact OE2-NH2 3.36Å; E482-R486 PolarHBondContact OE2-NH2 3.03Å; T483-R486 PolarHBondContact O-N 3.42Å; Q484-R486 VanDerWaalsContact C-N 3.35Å; Q484-R486 PolarHBondContact O-N 2.93Å; R486-L490 WeakPolarHBondContact O-CG 3.3Å; R486-L490 PolarHBondContact O-N 3.28Å; R486-L490 VanDerWaalsContact O-N 3.14Å |
| 487 | A | 86.2 | Confident | 81 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T483 Q484 A489 L490 E491 | T483-A487 PolarHBondContact O-N 3.22Å; Q484-A487 PolarHBondContact O-N 3.33Å; A487-A489 VanDerWaalsContact C-N 3.32Å; A487-A489 PolarHBondContact O-N 3.17Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 2.99Å; A487-E491 WeakPolarHBondContact O-CG 3.47Å; A487-E491 PolarHBondContact O-N 2.98Å |
| 488 | Q | 89.4 | Confident | 83.1 | Confident | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 178 | -170.8 | 174.2 | 2.6 | 0 | 0 | 112.7 | Q484 W485 L490 E491 D492 | Q484-Q488 WeakPolarHBondContact O-CB 3.45Å; Q484-Q488 PolarHBondContact O-N 3.49Å; W485-Q488 PolarHBondContact O-N 2.87Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.78Å; Q488-E491 PolarHBondContact O-N 2.67Å; Q488-D492 WeakPolarHBondContact O-CB 3.22Å; Q488-D492 PolarHBondContact O-N 3.45Å |
| 489 | A | 91.8 | Very high | 84.9 | Confident | 34 Ų | 34 | 103.7 Ų | 103.7 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -31.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W485 A487 M493 | W485-A489 VanDerWaalsContact O-CB 3.26Å; W485-A489 WeakPolarHBondContact O-CB 3.32Å; W485-A489 PolarHBondContact O-N 2.82Å; A487-A489 VanDerWaalsContact C-N 3.32Å; A487-A489 PolarHBondContact O-N 3.17Å; A489-M493 WeakPolarHBondContact O-CB 3.32Å; A489-M493 WeakPolarHBondContact O-CG 3.4Å; A489-M493 PolarHBondContact O-N 2.78Å; A489-M493 VanDerWaalsContact O-N 3.09Å |
| 490 | L | 92.4 | Very high | 86.6 | Confident | 110 Ų | 110 | 105 Ų | 105 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.2 | -43.6 | 172.1 | -72.7 | 167.5 | 0 | 0 | 0 | 111.3 | R486 A487 Q488 D492 M493 Q494 | R486-L490 WeakPolarHBondContact O-CG 3.3Å; R486-L490 PolarHBondContact O-N 3.28Å; R486-L490 VanDerWaalsContact O-N 3.14Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 2.99Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.78Å; L490-D492 PolarHBondContact O-N 3.23Å; L490-M493 HydrophobicContact CD2-CE 3.86Å; L490-M493 PolarHBondContact O-N 3.02Å; L490-Q494 PolarHBondContact O-N 3.11Å |
| 491 | E | 92.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175 | -71.1 | 172.8 | -162.1 | 0 | 0 | 111.8 | A487 Q488 Q494 R495 | A487-E491 WeakPolarHBondContact O-CG 3.47Å; A487-E491 PolarHBondContact O-N 2.98Å; Q488-E491 PolarHBondContact O-N 2.67Å; E491-Q494 PolarHBondContact O-N 3.3Å; E491-R495 WeakPolarHBondContact O-CB 3.15Å; E491-R495 PolarHBondContact O-N 2.96Å |
| 492 | D | 93.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.6 | -26.8 | 177.2 | -80.4 | -17.5 | 0 | 0 | 0 | 113.3 | Q488 L490 R495 R496 | Q488-D492 WeakPolarHBondContact O-CB 3.22Å; Q488-D492 PolarHBondContact O-N 3.45Å; L490-D492 PolarHBondContact O-N 3.23Å; D492-R495 IonicContact OD1-CZ 3.51Å; D492-R495 IonicContact OD1-NE 2.81Å; D492-R495 PolarHBondContact OD1-NE 2.82Å; D492-R495 IonicContact OD1-NH2 2.66Å; D492-R495 PolarHBondContact OD1-NH2 3.06Å; D492-R496 WeakPolarHBondContact O-CB 3.31Å; D492-R496 VanDerWaalsContact O-CD 3.26Å; D492-R496 WeakPolarHBondContact O-CD 3.46Å; D492-R496 WeakPolarHBondContact O-CG 3.41Å; D492-R496 PolarHBondContact O-N 3.45Å; D492-R496 VanDerWaalsContact O-N 3.08Å |
| 493 | M | 91.8 | Very high | 90.8 | Very high | 111 Ų | 111 | 105 Ų | 105 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 167.7 | -79.5 | -164.4 | -57.7 | 0 | 0 | 111.9 | A489 L490 R496 L497 | A489-M493 WeakPolarHBondContact O-CB 3.32Å; A489-M493 WeakPolarHBondContact O-CG 3.4Å; A489-M493 PolarHBondContact O-N 2.78Å; A489-M493 VanDerWaalsContact O-N 3.09Å; L490-M493 HydrophobicContact CD2-CE 3.86Å; L490-M493 PolarHBondContact O-N 3.02Å; M493-R496 PolarHBondContact O-N 2.73Å; M493-L497 WeakPolarHBondContact O-CG 3.01Å; M493-L497 PolarHBondContact O-N 3.19Å; M493-L497 VanDerWaalsContact O-N 3.1Å |
| 494 | Q | 89.9 | Confident | 91.7 | Very high | 114 Ų | 114 | 107.5 Ų | 107.5 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173.9 | 179.8 | 174.8 | -23.7 | 0 | 0 | 110.7 | L490 E491 R496 L497 E498 | L490-Q494 PolarHBondContact O-N 3.11Å; E491-Q494 PolarHBondContact O-N 3.3Å; Q494-R496 VanDerWaalsContact C-N 3.32Å; Q494-R496 PolarHBondContact O-N 3.24Å; Q494-L497 PolarHBondContact O-N 3.31Å; Q494-L497 VanDerWaalsContact O-N 3.11Å; Q494-E498 HydrophobicContact CG-CG 4.41Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.37Å; Q494-E498 PolarHBondContact NE2-OE1 2.97Å; Q494-E498 WeakPolarHBondContact O-CG 3.36Å; Q494-E498 PolarHBondContact O-N 2.89Å |
| 495 | R | 95 | Very high | 92.1 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -52.9 | -47.5 | 174.8 | -169.6 | -163 | -48 | -65.9 | -6.8 | 111.7 | E491 D492 L497 E498 E499 | E491-R495 WeakPolarHBondContact O-CB 3.15Å; E491-R495 PolarHBondContact O-N 2.96Å; D492-R495 IonicContact OD1-CZ 3.51Å; D492-R495 IonicContact OD1-NE 2.81Å; D492-R495 PolarHBondContact OD1-NE 2.82Å; D492-R495 IonicContact OD1-NH2 2.66Å; D492-R495 PolarHBondContact OD1-NH2 3.06Å; R495-L497 PolarHBondContact O-N 3.42Å; R495-E498 PolarHBondContact O-N 2.77Å; R495-E499 WeakPolarHBondContact CD-OE1 3.18Å; R495-E499 WeakPolarHBondContact CG-OE1 3.36Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.28Å; R495-E499 WeakPolarHBondContact O-CG 3.34Å; R495-E499 PolarHBondContact O-N 2.84Å |
| 496 | R | 94.9 | Very high | 92.7 | Very high | 160 Ų | 160 | 99.7 Ų | 99.7 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -39.1 | 177.9 | -73.8 | 163 | -173.9 | -85.7 | -1.7 | 112.9 | D492 M493 Q494 E499 E500 | D492-R496 WeakPolarHBondContact O-CB 3.31Å; D492-R496 VanDerWaalsContact O-CD 3.26Å; D492-R496 WeakPolarHBondContact O-CD 3.46Å; D492-R496 WeakPolarHBondContact O-CG 3.41Å; D492-R496 PolarHBondContact O-N 3.45Å; D492-R496 VanDerWaalsContact O-N 3.08Å; M493-R496 PolarHBondContact O-N 2.73Å; Q494-R496 VanDerWaalsContact C-N 3.32Å; Q494-R496 PolarHBondContact O-N 3.24Å; R496-E499 PolarHBondContact O-N 3.34Å; R496-E500 WeakPolarHBondContact O-CB 3.32Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.27Å |
| 497 | L | 95.8 | Very high | 93.4 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.9 | -35.9 | 176 | -71 | 168.6 | 0 | 0 | 0 | 112.1 | M493 Q494 R495 H501 | M493-L497 WeakPolarHBondContact O-CG 3.01Å; M493-L497 PolarHBondContact O-N 3.19Å; M493-L497 VanDerWaalsContact O-N 3.1Å; Q494-L497 PolarHBondContact O-N 3.31Å; Q494-L497 VanDerWaalsContact O-N 3.11Å; R495-L497 PolarHBondContact O-N 3.42Å; L497-H501 VanDerWaalsContact O-CB 3.31Å; L497-H501 WeakPolarHBondContact O-CB 3.33Å; L497-H501 PolarHBondContact O-N 3.03Å |
| 498 | E | 94.5 | Very high | 93.8 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 172.8 | -71.4 | 174.4 | -173.1 | 0 | 0 | 111.6 | Q494 R495 H501 A502 | Q494-E498 HydrophobicContact CG-CG 4.41Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.37Å; Q494-E498 PolarHBondContact NE2-OE1 2.97Å; Q494-E498 WeakPolarHBondContact O-CG 3.36Å; Q494-E498 PolarHBondContact O-N 2.89Å; R495-E498 PolarHBondContact O-N 2.77Å; E498-H501 PolarHBondContact O-N 3.25Å; E498-A502 VanDerWaalsContact O-CB 3.25Å; E498-A502 WeakPolarHBondContact O-CB 3.48Å; E498-A502 PolarHBondContact O-N 2.89Å |
| 499 | E | 95.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 102.5 Ų | 102.5 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 172.1 | -75.1 | 167.9 | -174.8 | 0 | 0 | 111.9 | R495 R496 H501 A502 L503 | R495-E499 WeakPolarHBondContact CD-OE1 3.18Å; R495-E499 WeakPolarHBondContact CG-OE1 3.36Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.28Å; R495-E499 WeakPolarHBondContact O-CG 3.34Å; R495-E499 PolarHBondContact O-N 2.84Å; R496-E499 PolarHBondContact O-N 3.34Å; E499-H501 VanDerWaalsContact C-N 3.34Å; E499-H501 PolarHBondContact O-N 3.2Å; E499-A502 PolarHBondContact O-N 3.32Å; E499-L503 WeakPolarHBondContact O-CB 3.3Å; E499-L503 VanDerWaalsContact O-CG 3.28Å; E499-L503 WeakPolarHBondContact O-CG 3.46Å; E499-L503 PolarHBondContact O-N 3.31Å |
| 500 | E | 93 | Very high | 94.2 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 175 | -78.5 | -178.1 | 178.8 | 0 | 0 | 111.7 | R496 L503 Q504 | R496-E500 WeakPolarHBondContact O-CB 3.32Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.27Å; E500-L503 PolarHBondContact O-N 2.65Å; E500-Q504 PolarHBondContact O-N 3.37Å |
| 501 | H | 94.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 175.8 | -172.6 | -112.9 | 0 | 0 | 0 | 112.1 | L497 E498 E499 Q504 M505 | L497-H501 VanDerWaalsContact O-CB 3.31Å; L497-H501 WeakPolarHBondContact O-CB 3.33Å; L497-H501 PolarHBondContact O-N 3.03Å; E498-H501 PolarHBondContact O-N 3.25Å; E499-H501 VanDerWaalsContact C-N 3.34Å; E499-H501 PolarHBondContact O-N 3.2Å; H501-Q504 PolarHBondContact O-N 2.91Å; H501-M505 WeakPolarHBondContact O-CG 3.45Å; H501-M505 PolarHBondContact O-N 2.95Å |
| 502 | A | 95.1 | Very high | 94.3 | Very high | 47 Ų | 47 | 102.4 Ų | 102.4 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E498 E499 S506 | E498-A502 VanDerWaalsContact O-CB 3.25Å; E498-A502 WeakPolarHBondContact O-CB 3.48Å; E498-A502 PolarHBondContact O-N 2.89Å; E499-A502 PolarHBondContact O-N 3.32Å; A502-S506 VanDerWaalsContact O-CB 3.31Å; A502-S506 WeakPolarHBondContact O-CB 3.44Å; A502-S506 PolarHBondContact O-N 3.35Å; A502-S506 PolarHBondContact O-OG 3.33Å |
| 503 | L | 96.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 104.8 Ų | 104.8 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 171 | -73.5 | 169.1 | 0 | 0 | 0 | 111.1 | E499 E500 M505 S506 I507 | E499-L503 WeakPolarHBondContact O-CB 3.3Å; E499-L503 VanDerWaalsContact O-CG 3.28Å; E499-L503 WeakPolarHBondContact O-CG 3.46Å; E499-L503 PolarHBondContact O-N 3.31Å; E500-L503 PolarHBondContact O-N 2.65Å; L503-M505 PolarHBondContact O-N 2.83Å; L503-S506 WeakPolarHBondContact CA-OG 3.45Å; L503-S506 PolarHBondContact O-N 3.11Å; L503-S506 PolarHBondContact O-OG 2.89Å; L503-S506 VanDerWaalsContact O-OG 3.07Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.48Å; L503-I507 PolarHBondContact O-N 3.08Å |
| 504 | Q | 94.5 | Very high | 94.3 | Very high | 138 Ų | 138 | 106 Ų | 106 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 176 | -170.4 | 174.4 | 3.7 | 0 | 0 | 112.3 | E500 H501 L508 | E500-Q504 PolarHBondContact O-N 3.37Å; H501-Q504 PolarHBondContact O-N 2.91Å; Q504-L508 PolarHBondContact O-N 3.35Å |
| 505 | M | 92.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 106.4 Ų | 106.4 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 174.3 | -71.8 | -168.3 | -59.7 | 0 | 0 | 112.4 | H501 L503 L508 L509 | H501-M505 WeakPolarHBondContact O-CG 3.45Å; H501-M505 PolarHBondContact O-N 2.95Å; L503-M505 PolarHBondContact O-N 2.83Å; M505-L508 PolarHBondContact O-N 3.5Å; M505-L509 WeakPolarHBondContact O-CB 3.49Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.27Å |
| 506 | S | 95.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 106.4 Ų | 106.4 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -33.3 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | A502 L503 A510 | A502-S506 VanDerWaalsContact O-CB 3.31Å; A502-S506 WeakPolarHBondContact O-CB 3.44Å; A502-S506 PolarHBondContact O-N 3.35Å; A502-S506 PolarHBondContact O-OG 3.33Å; L503-S506 WeakPolarHBondContact CA-OG 3.45Å; L503-S506 PolarHBondContact O-N 3.11Å; L503-S506 PolarHBondContact O-OG 2.89Å; L503-S506 VanDerWaalsContact O-OG 3.07Å; S506-A510 VanDerWaalsContact O-CB 3.22Å; S506-A510 WeakPolarHBondContact O-CB 3.5Å; S506-A510 PolarHBondContact O-N 3.41Å |
| 507 | I | 96.6 | Very high | 93.6 | Very high | 118 Ų | 118 | 103.4 Ų | 103.4 | 61% | 0.605 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 169.2 | -70.6 | 165.3 | 0 | 0 | 0 | 110.7 | L503 A510 E511 | L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.48Å; L503-I507 PolarHBondContact O-N 3.08Å; I507-A510 PolarHBondContact O-N 3.08Å; I507-E511 WeakPolarHBondContact O-CB 3.37Å; I507-E511 PolarHBondContact O-N 3.36Å |
| 508 | L | 96 | Very high | 93.5 | Very high | 109 Ų | 109 | 106.1 Ų | 106.1 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | -179.5 | -174.8 | 148.3 | 0 | 0 | 0 | 112.3 | Q504 M505 E511 Q512 | Q504-L508 PolarHBondContact O-N 3.35Å; M505-L508 PolarHBondContact O-N 3.5Å; L508-E511 PolarHBondContact O-N 2.87Å; L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 PolarHBondContact O-N 3.28Å |
| 509 | L | 94.5 | Very high | 93.3 | Very high | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.8 | -72.1 | 169.1 | 0 | 0 | 0 | 111.6 | M505 E511 Q512 E513 | M505-L509 WeakPolarHBondContact O-CB 3.49Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.27Å; L509-E511 VanDerWaalsContact C-N 3.31Å; L509-E511 PolarHBondContact O-N 3.1Å; L509-Q512 PolarHBondContact O-N 2.93Å; L509-E513 WeakPolarHBondContact O-CB 3.39Å; L509-E513 PolarHBondContact O-N 3.46Å |
| 510 | A | 94.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 107.1 Ų | 107.1 | 27% | 0.273 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.7 | -24.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S506 I507 K514 | S506-A510 VanDerWaalsContact O-CB 3.22Å; S506-A510 WeakPolarHBondContact O-CB 3.5Å; S506-A510 PolarHBondContact O-N 3.41Å; I507-A510 PolarHBondContact O-N 3.08Å; A510-K514 WeakPolarHBondContact O-CD 3.46Å; A510-K514 WeakPolarHBondContact O-CE 3.48Å; A510-K514 WeakPolarHBondContact O-CG 3.29Å; A510-K514 PolarHBondContact O-N 3.09Å |
| 511 | E | 93.6 | Very high | 92.9 | Very high | 128 Ų | 128 | 105.8 Ų | 105.8 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.6 | -47 | 168.6 | -174.8 | 165.7 | -141 | 0 | 0 | 110.7 | I507 L508 L509 E513 K514 E515 | I507-E511 WeakPolarHBondContact O-CB 3.37Å; I507-E511 PolarHBondContact O-N 3.36Å; L508-E511 PolarHBondContact O-N 2.87Å; L509-E511 VanDerWaalsContact C-N 3.31Å; L509-E511 PolarHBondContact O-N 3.1Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.47Å; E511-K514 PolarHBondContact O-N 3.38Å; E511-E515 PolarHBondContact O-N 2.83Å |
| 512 | Q | 93.6 | Very high | 92.9 | Very high | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 175 | -171.3 | -178.3 | 16.4 | 0 | 0 | 112.4 | L508 L509 E515 Q516 | L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 PolarHBondContact O-N 3.28Å; L509-Q512 PolarHBondContact O-N 2.93Å; Q512-E515 PolarHBondContact O-N 3.48Å; Q512-Q516 WeakPolarHBondContact O-CG 3.45Å; Q512-Q516 PolarHBondContact O-N 3.06Å |
| 513 | E | 91.7 | Very high | 92.8 | Very high | 106 Ų | 106 | 109 Ų | 109 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.9 | -164.2 | -165.3 | 162.2 | 0 | 0 | 111.1 | L509 E511 E515 Q516 Q517 | L509-E513 WeakPolarHBondContact O-CB 3.39Å; L509-E513 PolarHBondContact O-N 3.46Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.47Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.34Å; E513-Q516 PolarHBondContact O-N 2.83Å; E513-Q516 VanDerWaalsContact O-N 3.11Å; E513-Q517 HydrophobicContact CG-CG 4.45Å; E513-Q517 WeakPolarHBondContact O-CG 3.1Å; E513-Q517 PolarHBondContact O-N 3.21Å; E513-Q517 PolarHBondContact OE1-NE2 2.88Å |
| 514 | K | 93.8 | Very high | 92.6 | Very high | 136 Ų | 136 | 107.5 Ų | 107.5 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -35.4 | 175.4 | -73.4 | 163.2 | -166.6 | 160.2 | 0 | 112.3 | A510 E511 R518 | A510-K514 WeakPolarHBondContact O-CD 3.46Å; A510-K514 WeakPolarHBondContact O-CE 3.48Å; A510-K514 WeakPolarHBondContact O-CG 3.29Å; A510-K514 PolarHBondContact O-N 3.09Å; E511-K514 PolarHBondContact O-N 3.38Å; K514-R518 WeakPolarHBondContact O-CB 3.38Å; K514-R518 PolarHBondContact O-N 3.44Å |
| 515 | E | 88.1 | Confident | 92.4 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 171.5 | -68.6 | -154.3 | 133.1 | 0 | 0 | 112.1 | E511 Q512 E513 R518 L519 | E511-E515 PolarHBondContact O-N 2.83Å; Q512-E515 PolarHBondContact O-N 3.48Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.34Å; E515-R518 PolarHBondContact O-N 3.02Å; E515-L519 WeakPolarHBondContact O-CG 3.33Å; E515-L519 PolarHBondContact O-N 3.31Å |
| 516 | Q | 86.7 | Confident | 91.9 | Very high | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.4 | -69.2 | -178.8 | 26.8 | 0 | 0 | 112.3 | Q512 E513 R518 L519 H520 | Q512-Q516 WeakPolarHBondContact O-CG 3.45Å; Q512-Q516 PolarHBondContact O-N 3.06Å; E513-Q516 PolarHBondContact O-N 2.83Å; E513-Q516 VanDerWaalsContact O-N 3.11Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.43Å; Q516-L519 PolarHBondContact O-N 3.01Å; Q516-H520 PolarHBondContact O-N 3.27Å |
| 517 | Q | 89.7 | Confident | 91.5 | Very high | 96 Ų | 96 | 106 Ų | 106 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.3 | -69.4 | 177.2 | 9 | 0 | 0 | 111.3 | E513 H520 L521 | E513-Q517 HydrophobicContact CG-CG 4.45Å; E513-Q517 WeakPolarHBondContact O-CG 3.1Å; E513-Q517 PolarHBondContact O-N 3.21Å; E513-Q517 PolarHBondContact OE1-NE2 2.88Å; Q517-H520 PolarHBondContact O-N 2.92Å; Q517-L521 WeakPolarHBondContact O-CG 3.44Å; Q517-L521 PolarHBondContact O-N 2.95Å |
| 518 | R | 94.6 | Very high | 90.9 | Very high | 173 Ų | 173 | 106.1 Ų | 106.1 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 174.7 | 177.6 | -178.5 | 173.4 | -177.8 | -0.8 | 112.1 | K514 E515 Q516 H520 L521 E522 | K514-R518 WeakPolarHBondContact O-CB 3.38Å; K514-R518 PolarHBondContact O-N 3.44Å; E515-R518 PolarHBondContact O-N 3.02Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.43Å; R518-H520 VanDerWaalsContact C-N 3.3Å; R518-H520 PolarHBondContact O-N 3.43Å; R518-L521 PolarHBondContact O-N 2.87Å; R518-E522 WeakPolarHBondContact O-CB 3.47Å; R518-E522 PolarHBondContact O-N 3.36Å |
| 519 | L | 90.7 | Very high | 90.3 | Very high | 105 Ų | 105 | 108.2 Ų | 108.2 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 176.7 | -72 | 169.8 | 0 | 0 | 0 | 111.7 | E515 Q516 E522 L523 | E515-L519 WeakPolarHBondContact O-CG 3.33Å; E515-L519 PolarHBondContact O-N 3.31Å; Q516-L519 PolarHBondContact O-N 3.01Å; L519-E522 PolarHBondContact O-N 3Å; L519-L523 WeakPolarHBondContact O-CB 3.5Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 3.3Å |
| 520 | H | 87.1 | Confident | 89.4 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 174.1 | -168.8 | -73.9 | 0 | 0 | 0 | 112 | Q516 Q517 R518 L523 E524 | Q516-H520 PolarHBondContact O-N 3.27Å; Q517-H520 PolarHBondContact O-N 2.92Å; R518-H520 VanDerWaalsContact C-N 3.3Å; R518-H520 PolarHBondContact O-N 3.43Å; H520-L523 PolarHBondContact O-N 3.22Å; H520-E524 WeakPolarHBondContact O-CB 3.44Å; H520-E524 PolarHBondContact O-N 3.48Å |
| 521 | L | 92.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 113.1 Ų | 113.1 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176 | -71.7 | 168.1 | 0 | 0 | 0 | 112.3 | Q517 R518 E524 E525 | Q517-L521 WeakPolarHBondContact O-CG 3.44Å; Q517-L521 PolarHBondContact O-N 2.95Å; R518-L521 PolarHBondContact O-N 2.87Å; L521-E524 PolarHBondContact O-N 3.5Å; L521-E525 WeakPolarHBondContact O-CB 3.31Å; L521-E525 PolarHBondContact O-N 2.89Å |
| 522 | E | 93.6 | Very high | 87.9 | Confident | 106 Ų | 106 | 114 Ų | 114 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.1 | -173.2 | 170.6 | 169.3 | 0 | 0 | 111 | R518 L519 E525 T526 | R518-E522 WeakPolarHBondContact O-CB 3.47Å; R518-E522 PolarHBondContact O-N 3.36Å; L519-E522 PolarHBondContact O-N 3Å; E522-E525 PolarHBondContact O-N 3.39Å; E522-T526 WeakPolarHBondContact O-CG2 3.45Å; E522-T526 PolarHBondContact O-N 2.92Å; E522-T526 PolarHBondContact O-OG1 2.87Å |
| 523 | L | 92.8 | Very high | 86.1 | Confident | 118 Ų | 118 | 116.2 Ų | 116.2 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 173.6 | -74.7 | 170.2 | 0 | 0 | 0 | 111.8 | L519 H520 E525 T526 E527 | L519-L523 WeakPolarHBondContact O-CB 3.5Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 3.3Å; H520-L523 PolarHBondContact O-N 3.22Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.26Å; L523-T526 WeakPolarHBondContact CA-OG1 3.35Å; L523-T526 CarbonylContact O-C 3.58Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 VanDerWaalsContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 3.25Å; L523-E527 PolarHBondContact O-N 3.44Å |
| 524 | E | 91.1 | Very high | 84.5 | Confident | 75 Ų | 75 | 116.8 Ų | 116.8 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | 177.2 | -164.5 | -149.3 | 136.4 | 0 | 0 | 112.2 | H520 L521 R528 | H520-E524 WeakPolarHBondContact O-CB 3.44Å; H520-E524 PolarHBondContact O-N 3.48Å; L521-E524 PolarHBondContact O-N 3.5Å; E524-R528 WeakPolarHBondContact O-CB 3.26Å; E524-R528 VanDerWaalsContact O-CG 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.16Å; E524-R528 PolarHBondContact O-N 3.32Å; E524-R528 PolarHBondContact O-NE 3.5Å; E524-R528 VanDerWaalsContact O-NE 3.11Å; E524-R528 IonicContact OE1-CZ 3.15Å; E524-R528 IonicContact OE1-NE 2.67Å; E524-R528 PolarHBondContact OE1-NE 3.48Å; E524-R528 VanDerWaalsContact OE1-NE 3.16Å; E524-R528 IonicContact OE1-NH1 2.76Å; E524-R528 IonicContact OE1-NH2 2.7Å |
| 525 | E | 90.3 | Very high | 82.1 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 38% | 0.383 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 172.3 | -154.4 | -164.5 | 143.1 | 0 | 0 | 111.8 | L521 E522 L523 R528 R529 | L521-E525 WeakPolarHBondContact O-CB 3.31Å; L521-E525 PolarHBondContact O-N 2.89Å; E522-E525 PolarHBondContact O-N 3.39Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.26Å; E525-R528 PolarHBondContact O-N 2.96Å; E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.23Å; E525-R529 IonicContact OE1-CZ 2.7Å; E525-R529 IonicContact OE1-NE 2.69Å; E525-R529 PolarHBondContact OE1-NE 3.39Å; E525-R529 IonicContact OE1-NH2 2.88Å; E525-R529 PolarHBondContact OE1-NH2 3.49Å |
| 526 | T | 82.4 | Confident | 80 | Confident | 75 Ų | 75 | 116.6 Ų | 116.6 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | E522 L523 R529 L530 | E522-T526 WeakPolarHBondContact O-CG2 3.45Å; E522-T526 PolarHBondContact O-N 2.92Å; E522-T526 PolarHBondContact O-OG1 2.87Å; L523-T526 WeakPolarHBondContact CA-OG1 3.35Å; L523-T526 CarbonylContact O-C 3.58Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 VanDerWaalsContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 3.25Å; T526-R529 PolarHBondContact O-N 3.49Å; T526-L530 WeakPolarHBondContact O-CB 3.26Å; T526-L530 PolarHBondContact O-N 2.82Å |
| 527 | E | 87 | Confident | 77.6 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -48.2 | 172.4 | -164.7 | -158.2 | 141.7 | 0 | 0 | 110.5 | L523 R529 L530 K531 | L523-E527 PolarHBondContact O-N 3.44Å; E527-R529 VanDerWaalsContact C-N 3.26Å; E527-R529 PolarHBondContact O-N 2.81Å; E527-L530 WeakPolarHBondContact O-CB 3.47Å; E527-L530 PolarHBondContact O-N 3.27Å; E527-L530 VanDerWaalsContact O-N 3.09Å; E527-K531 WeakPolarHBondContact O-CB 3.49Å; E527-K531 PolarHBondContact O-N 2.91Å; E527-K531 IonicContact OE1-NZ 3.16Å; E527-K531 PolarHBondContact OE1-NZ 2.84Å |
| 528 | R | 85 | Confident | 75.1 | Confident | 120 Ų | 120 | 120.2 Ų | 120.2 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -32.9 | 177.2 | -73.2 | 177.3 | -63.9 | 163.9 | -3.3 | 112.6 | E524 E525 K532 | E524-R528 WeakPolarHBondContact O-CB 3.26Å; E524-R528 VanDerWaalsContact O-CG 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.16Å; E524-R528 PolarHBondContact O-N 3.32Å; E524-R528 PolarHBondContact O-NE 3.5Å; E524-R528 VanDerWaalsContact O-NE 3.11Å; E524-R528 IonicContact OE1-CZ 3.15Å; E524-R528 IonicContact OE1-NE 2.67Å; E524-R528 PolarHBondContact OE1-NE 3.48Å; E524-R528 VanDerWaalsContact OE1-NE 3.16Å; E524-R528 IonicContact OE1-NH1 2.76Å; E524-R528 IonicContact OE1-NH2 2.7Å; E525-R528 PolarHBondContact O-N 2.96Å; R528-K532 WeakPolarHBondContact O-CB 3.43Å; R528-K532 VanDerWaalsContact O-CG 3.29Å; R528-K532 WeakPolarHBondContact O-CG 3.4Å; R528-K532 PolarHBondContact O-N 2.91Å |
| 529 | R | 82.6 | Confident | 72.7 | Confident | 152 Ų | 152 | 124.2 Ų | 124.2 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.5 | -42.6 | 171.8 | -74.1 | 165.7 | 176.1 | -101.7 | 5.4 | 111.9 | E525 T526 E527 H533 | E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.23Å; E525-R529 IonicContact OE1-CZ 2.7Å; E525-R529 IonicContact OE1-NE 2.69Å; E525-R529 PolarHBondContact OE1-NE 3.39Å; E525-R529 IonicContact OE1-NH2 2.88Å; E525-R529 PolarHBondContact OE1-NH2 3.49Å; T526-R529 PolarHBondContact O-N 3.49Å; E527-R529 VanDerWaalsContact C-N 3.26Å; E527-R529 PolarHBondContact O-N 2.81Å; R529-H533 PolarHBondContact O-N 2.84Å; R529-H533 VanDerWaalsContact O-N 3.14Å |
| 530 | L | 76.4 | Confident | 70.1 | Confident | 122 Ų | 122 | 124.5 Ų | 124.5 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.6 | -48.1 | 174.1 | -170.6 | 78.9 | 0 | 0 | 0 | 111.2 | T526 E527 K532 H533 E534 | T526-L530 WeakPolarHBondContact O-CB 3.26Å; T526-L530 PolarHBondContact O-N 2.82Å; E527-L530 WeakPolarHBondContact O-CB 3.47Å; E527-L530 PolarHBondContact O-N 3.27Å; E527-L530 VanDerWaalsContact O-N 3.09Å; L530-K532 PolarHBondContact O-N 2.9Å; L530-H533 CarbonylContact O-C 3.55Å; L530-H533 WeakPolarHBondContact O-CB 3.37Å; L530-H533 PolarHBondContact O-N 3.28Å; L530-H533 VanDerWaalsContact O-N 3.15Å; L530-E534 PolarHBondContact O-N 3.45Å |
| 531 | K | 80.8 | Confident | 67.9 | Low | 117 Ų | 117 | 121.4 Ų | 121.4 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -35.1 | -177.9 | -144.2 | 168.7 | -151 | 149.8 | 0 | 112.5 | E527 E534 C535 | E527-K531 WeakPolarHBondContact O-CB 3.49Å; E527-K531 PolarHBondContact O-N 2.91Å; E527-K531 IonicContact OE1-NZ 3.16Å; E527-K531 PolarHBondContact OE1-NZ 2.84Å; K531-E534 PolarHBondContact O-N 2.86Å; K531-C535 PolarHBondContact O-N 2.9Å |
| 532 | K | 74.2 | Confident | 65 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -47.3 | 169.4 | -77.2 | 176.4 | 177.8 | -172.8 | 0 | 111.9 | R528 L530 E534 C535 E536 | R528-K532 WeakPolarHBondContact O-CB 3.43Å; R528-K532 VanDerWaalsContact O-CG 3.29Å; R528-K532 WeakPolarHBondContact O-CG 3.4Å; R528-K532 PolarHBondContact O-N 2.91Å; L530-K532 PolarHBondContact O-N 2.9Å; K532-E534 PolarHBondContact O-N 3.4Å; K532-C535 PolarHBondContact O-N 2.9Å; K532-C535 VanDerWaalsContact O-N 3.15Å; K532-E536 PolarHBondContact O-N 2.99Å; K532-E536 VanDerWaalsContact O-N 3.12Å |
| 533 | H | 57.7 | Low | 62.4 | Low | 145 Ų | 145 | 125 Ų | 125 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.6 | -19.2 | 173.2 | -91.6 | -48.2 | 0 | 0 | 0 | 114.2 | R529 L530 | R529-H533 PolarHBondContact O-N 2.84Å; R529-H533 VanDerWaalsContact O-N 3.14Å; L530-H533 CarbonylContact O-C 3.55Å; L530-H533 WeakPolarHBondContact O-CB 3.37Å; L530-H533 PolarHBondContact O-N 3.28Å; L530-H533 VanDerWaalsContact O-N 3.15Å |
| 534 | E | 56.3 | Low | 59.5 | Low | 118 Ų | 118 | 129.3 Ų | 129.3 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.9 | -40.1 | 172.2 | -170.7 | 152 | -124.9 | 0 | 0 | 112.5 | L530 K531 K532 E536 | L530-E534 PolarHBondContact O-N 3.45Å; K531-E534 PolarHBondContact O-N 2.86Å; K532-E534 PolarHBondContact O-N 3.4Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.91Å |
| 535 | C | 44.2 | Very low | 57 | Low | 107 Ų | 107 | 130.9 Ų | 130.9 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.5 | -26.5 | 175.6 | -74.9 | 0 | 0 | 0 | 0 | 114.6 | K531 K532 R537 | K531-C535 PolarHBondContact O-N 2.9Å; K532-C535 PolarHBondContact O-N 2.9Å; K532-C535 VanDerWaalsContact O-N 3.15Å; C535-R537 PolarHBondContact O-N 3.44Å; C535-R537 VanDerWaalsContact O-N 3.08Å |
| 536 | E | 43.6 | Very low | 54.3 | Low | 146 Ų | 146 | 139.2 Ų | 139.2 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 18 | -179.7 | -72.7 | 175.6 | 179.6 | 0 | 0 | 114.3 | K532 E534 | K532-E536 PolarHBondContact O-N 2.99Å; K532-E536 VanDerWaalsContact O-N 3.12Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.91Å |
| 537 | R | 35.8 | Very low | 52.1 | Low | 172 Ų | 172 | 139.9 Ų | 139.9 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -101 | 112.3 | 179.5 | -156.2 | -179.1 | -54 | 159.3 | 13.6 | 110.7 | C535 R539 | C535-R537 PolarHBondContact O-N 3.44Å; C535-R537 VanDerWaalsContact O-N 3.08Å; R537-R539 PolarHBondContact O-N 3.49Å |
| 538 | P | 39.1 | Very low | 49.5 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -61.7 | 136.8 | -177.4 | -24.7 | 34.7 | 0 | 0 | 0 | 113.2 | S540 | P538-S540 VanDerWaalsContact C-N 3.34Å; P538-S540 PolarHBondContact O-N 3.19Å | ||
| 539 | R | 43.1 | Very low | 47.2 | Very low | 257 Ų | 257 | 151.4 Ų | 151.4 | 97% | 0.97 | 73% | 0.727 | S | S | * | * | trans | -73.9 | 87.4 | 165.4 | -73.9 | 173.3 | 67.6 | -179 | 1.4 | 109.4 | R537 | R537-R539 PolarHBondContact O-N 3.49Š| ||
| 540 | S | 37.1 | Very low | 44.6 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -89 | 123.2 | 150 | 162.6 | 0 | 0 | 0 | 0 | 106.6 | P538 | P538-S540 VanDerWaalsContact C-N 3.34Å; P538-S540 PolarHBondContact O-N 3.19Å | ||
| 541 | G | 39.3 | Very low | 42.3 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | -77.8 | 141 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 542 | D | 33 | Very low | 40.1 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | -146.4 | 164.6 | 106.7 | -132.9 | -35.2 | 0 | 0 | 0 | 112.3 | |||||
| 543 | T | 37.9 | Very low | 38 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -78.1 | 123.9 | -161.5 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 544 | F | 31.8 | Very low | 36.7 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -151.2 | 125 | 139.8 | -117.4 | -76.4 | 0 | 0 | 0 | 111.1 | ||||
| 545 | D | 38.9 | Very low | 35.4 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 58% | 0.578 | 78% | 0.784 | S | S | * | * | trans | -74 | 146.2 | 176.7 | 175.6 | 37.5 | 0 | 0 | 0 | 111.3 | S547 | D545-S547 WeakPolarHBondContact OD1-CB 3.29Å; D545-S547 PolarHBondContact OD1-N 2.81Å | ||
| 546 | W | 34.5 | Very low | 35 | Very low | 256 Ų | 256 | 146.1 Ų | 146.1 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | trans | -155.9 | 80 | 147.8 | -106.9 | 23 | 0 | 0 | 0 | 108.5 | Y548 | W546-Y548 PolarHBondContact O-N 2.89Š| ||
| 547 | S | 36.6 | Very low | 34.4 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 124.6 | -180 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | D545 | D545-S547 WeakPolarHBondContact OD1-CB 3.29Å; D545-S547 PolarHBondContact OD1-N 2.81Å | ||
| 548 | Y | 32.6 | Very low | 34 | Very low | 242 Ų | 242 | 147 Ų | 147 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | -133.8 | 126.2 | 153.9 | -104 | -84.3 | 0 | 0 | 0 | 109.9 | W546 | W546-Y548 PolarHBondContact O-N 2.89Š| ||
| 549 | R | 35.3 | Very low | 33.3 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -108 | 113.9 | -168.1 | -179.8 | -160.2 | -60.8 | -116.5 | 1.3 | 111 | V551 | R549-V551 HydrophobicContact CG-CG2 4.35Š| ||
| 550 | S | 28.6 | Very low | 33.7 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -149.5 | 83.9 | 160.8 | -71.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 551 | V | 27.6 | Very low | 33.2 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | 59.1 | 102.9 | 93.9 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | R549 | R549-V551 HydrophobicContact CG-CG2 4.35Š| |||
| 552 | S | 34.2 | Very low | 32.6 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 136.2 | 167.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 553 | G | 30.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -131.7 | 131.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 554 | S | 31 | Very low | 32.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -69 | 148.7 | -174.8 | -171.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 555 | C | 29 | Very low | 32.5 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -61.8 | 144.2 | 163.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 556 | P | 36.3 | Very low | 32.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -111 | 146.4 | 147.2 | 34.8 | -28.3 | 0 | 0 | 0 | 111.7 | ||||
| 557 | I | 30.6 | Very low | 32.6 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -70.8 | 141.5 | 169.5 | -66.2 | 154.3 | 0 | 0 | 0 | 109.3 | ||||
| 558 | M | 26.8 | Very low | 32.2 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -172.8 | 143.3 | 138.5 | -86.5 | -122.5 | 80.3 | 0 | 0 | 111.9 | ||||
| 559 | S | 25.2 | Very low | 32 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -139.4 | 170.6 | 164.6 | -60.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 560 | P | 50.9 | Low | 31.6 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -120.1 | 164.6 | -64.6 | 37.8 | -26.4 | 0 | 0 | 0 | 111.3 | |||||
| 561 | S | 26.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -150.5 | 167.2 | 170.5 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 562 | C | 27.1 | Very low | 31.5 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -94.4 | 162.3 | -158.9 | -70.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 563 | P | 43.1 | Very low | 31.2 | Very low | 133 Ų | 133 | 126 Ų | 126 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -83.9 | 155.2 | -173.2 | 34.1 | -36.8 | 0 | 0 | 0 | 114.3 | ||||
| 564 | G | 25.9 | Very low | 31.3 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 114.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 565 | L | 30.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 134 Ų | 134 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | 51.8 | 130.6 | 148 | -51.5 | -179.4 | 0 | 0 | 0 | 122 | ||||
| 566 | S | 30.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -76.7 | 172.3 | 160.4 | -37.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 567 | P | 45.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -157.8 | 151.6 | 82.8 | 38 | -16.6 | 0 | 0 | 0 | 120.1 | |||||
| 568 | I | 27.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 129.7 | 139.1 | -52 | 161.5 | 0 | 0 | 0 | 121.7 | ||||
| 569 | H | 28.2 | Very low | 32.7 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 159.9 | 98.9 | 127.6 | -88.6 | -64.2 | 0 | 0 | 0 | 111.3 | |||||
| 570 | T | 27.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | 58.7 | 98.2 | 93.3 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 571 | S | 25.2 | Very low | 32 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 137 | 168.1 | 99.9 | 62.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 572 | S | 27.5 | Very low | 32.4 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | -150.4 | 176.1 | 9.6 | -162.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 573 | E | 28.7 | Very low | 33.2 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 167.8 | 153.7 | -87.5 | 137.4 | -96.3 | 0 | 0 | 123 | ||||
| 574 | R | 31.7 | Very low | 32.4 | Very low | 238 Ų | 238 | 132.2 Ų | 132.2 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -157.1 | -163.7 | -147 | -140.1 | -167.1 | -170.6 | -179.8 | 6 | 110.7 | ||||
| 575 | P | 54.4 | Low | 32.7 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | -106 | 176.7 | -127.4 | 42.3 | -28.6 | 0 | 0 | 0 | 115 | |||||
| 576 | S | 33.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -139.4 | 165.5 | 152.3 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 577 | G | 30.5 | Very low | 33.6 | Very low | 50 Ų | 50 | 130.7 Ų | 130.7 | 52% | 0.515 | 76% | 0.763 | S | S | . | * | trans | -169.2 | -153.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 578 | H | 33 | Very low | 32.9 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | 74.9 | 156.1 | 179.1 | -47.8 | -69 | 0 | 0 | 0 | 115.8 | ||||
| 579 | T | 32.1 | Very low | 33 | Very low | 106 Ų | 106 | 129 Ų | 129 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -170.6 | 134.1 | -26.2 | -87.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 580 | L | 36.3 | Very low | 33.1 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | 54.4 | 150.7 | 160.6 | -69 | 166 | 0 | 0 | 0 | 122.4 | ||||
| 581 | G | 24.8 | Very low | 33.2 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 162 | 120.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 582 | F | 36.2 | Very low | 33.5 | Very low | 211 Ų | 211 | 128.8 Ų | 128.8 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -144.6 | 140.3 | 171.1 | -87.4 | -69.4 | 0 | 0 | 0 | 111.2 | ||||
| 583 | P | 43.9 | Very low | 33.7 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | -130.8 | 153.9 | 127.9 | 24.6 | -6.5 | 0 | 0 | 0 | 111.1 | |||||
| 584 | S | 25.4 | Very low | 34 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | cis | 75.1 | 124.7 | 48 | -153 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 585 | A | 33.1 | Very low | 34 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | cis | -169 | 164.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 586 | V | 33.7 | Very low | 33 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 72.4 | 144.8 | 142 | 152.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 587 | P | 47.1 | Very low | 33.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -142.7 | -170.6 | -28.9 | 43.5 | -24.9 | 0 | 0 | 0 | 116.2 | ||||
| 588 | A | 30.4 | Very low | 33.1 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 72.1 | 142.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 589 | S | 30.3 | Very low | 33.2 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 174.4 | -14 | -165.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 590 | V | 29.9 | Very low | 33.6 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 76.9 | 145 | 162.2 | -137.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 591 | M | 29.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 97.8 | 83.1 | 159.6 | -59.6 | -88.7 | 71.7 | 0 | 0 | 121.1 | ||||
| 592 | T | 31 | Very low | 34.2 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | 46.9 | 137.6 | 130.4 | 47.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 593 | P | 32.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 145.8 | -178.7 | 36.9 | -35.2 | 0 | 0 | 0 | 115.4 | ||
| 594 | P | 33.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 139.9 | 165.3 | 33.7 | -31.9 | 0 | 0 | 0 | 112.6 | ||
| 595 | V | 32.8 | Very low | 33.9 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 129.3 | -178.2 | 176 | 0 | 0 | 0 | 0 | 112.4 | ||
| 596 | Q | 33.9 | Very low | 34.2 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 120.7 | 161.9 | -69.7 | -158.4 | 8 | 0 | 0 | 111.4 | ||
| 597 | P | 34.7 | Very low | 34.3 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.1 | 167.6 | -19 | 33 | 0 | 0 | 0 | 111.1 | A599 | P597-A599 PolarHBondContact O-N 2.89Š|
| 598 | A | 30.6 | Very low | 34.2 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 125.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 599 | A | 34.9 | Very low | 34.5 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P597 L601 | P597-A599 PolarHBondContact O-N 2.89Å; A599-L601 PolarHBondContact O-N 2.93Å |
| 600 | Y | 40.7 | Very low | 35.2 | Very low | 228 Ų | 228 | 140.7 Ų | 140.7 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -68.1 | 114.2 | -179.7 | -79 | -98.2 | 0 | 0 | 0 | 111.3 | W602 | Y600-W602 PolarHBondContact O-N 2.84Š| ||
| 601 | L | 32.7 | Very low | 35.9 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -63.5 | 95.1 | 171.3 | -87 | 154.4 | 0 | 0 | 0 | 110.8 | A599 G603 | A599-L601 PolarHBondContact O-N 2.93Å; L601-G603 VanDerWaalsContact C-N 3.35Å; L601-G603 PolarHBondContact O-N 2.59Å | ||
| 602 | W | 42.1 | Very low | 36.5 | Very low | 247 Ų | 247 | 145 Ų | 145 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -80.3 | 85.6 | 171 | -151.3 | -10.4 | 0 | 0 | 0 | 110.3 | Y600 S604 | Y600-W602 PolarHBondContact O-N 2.84Å; W602-S604 PolarHBondContact O-N 3.47Å; W602-S604 VanDerWaalsContact O-N 3.08Å | ||
| 603 | G | 29.6 | Very low | 36.9 | Very low | 70 Ų | 70 | 143.8 Ų | 143.8 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -58.4 | 110 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L601 | L601-G603 VanDerWaalsContact C-N 3.35Å; L601-G603 PolarHBondContact O-N 2.59Å | ||
| 604 | S | 34.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -92.5 | 113.1 | 167.9 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | W602 R606 | W602-S604 PolarHBondContact O-N 3.47Å; W602-S604 VanDerWaalsContact O-N 3.08Å; S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 3.4Å | ||
| 605 | S | 33.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -67.5 | 84.5 | 173.1 | 40.2 | 0 | 0 | 0 | 0 | 110.8 | T607 | S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.35Å | ||
| 606 | R | 40.1 | Very low | 38.7 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -82.1 | 72.3 | -173.3 | -161.1 | 178.3 | -158.3 | -122.5 | -0.6 | 112 | S604 A608 | S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 3.4Å; R606-A608 PolarHBondContact O-N 2.97Å | ||
| 607 | T | 35.4 | Very low | 39.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -58.1 | 127.6 | 165.9 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | S605 N609 | S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.35Å; T607-N609 PolarHBondContact O-N 2.95Å | ||
| 608 | A | 44.5 | Very low | 41 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -75 | 120.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R606 | R606-A608 PolarHBondContact O-N 2.97Š| ||
| 609 | N | 36.7 | Very low | 42.9 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -141.9 | 108.1 | 163 | -99.8 | -48.8 | 0 | 0 | 0 | 111.4 | T607 | T607-N609 PolarHBondContact O-N 2.95Š| ||
| 610 | K | 45.5 | Very low | 45.1 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 28.6 | 104.1 | 153.4 | -60 | 177.7 | -175.5 | 177.9 | 0 | 117 | R612 | K610-R612 PolarHBondContact O-N 3.44Š| ||
| 611 | S | 45.8 | Very low | 47.1 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -2.7 | 77.5 | 159.7 | 55.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 612 | R | 40.8 | Very low | 49.3 | Very low | 237 Ų | 237 | 135.6 Ų | 135.6 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | trans | -72.4 | 126.5 | 149 | -160.3 | 173.2 | -160.4 | 155.4 | 6.8 | 107.5 | K610 R614 | K610-R612 PolarHBondContact O-N 3.44Å; R612-R614 PolarHBondContact O-N 3.38Å | ||
| 613 | A | 39 | Very low | 51.2 | Low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -51.5 | 124.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L615 | A613-L615 VanDerWaalsContact C-N 3.27Å; A613-L615 PolarHBondContact O-N 2.86Å | ||
| 614 | R | 44.6 | Very low | 53.9 | Low | 205 Ų | 205 | 129.4 Ų | 129.4 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | trans | -75.1 | 87.3 | 176.9 | -68.6 | -178.1 | 84.1 | -177.6 | 4.6 | 108.3 | R612 S616 | R612-R614 PolarHBondContact O-N 3.38Å; R614-S616 PolarHBondContact O-N 3.47Å | ||
| 615 | L | 42.9 | Very low | 56.2 | Low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | -62.2 | 76.7 | 142.7 | -68.7 | 177.5 | 0 | 0 | 0 | 107.2 | A613 L617 | A613-L615 VanDerWaalsContact C-N 3.27Å; A613-L615 PolarHBondContact O-N 2.86Å; L615-L617 PolarHBondContact O-N 2.96Å | ||
| 616 | S | 49.5 | Very low | 58.6 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | trans | -72 | 67.4 | 163 | 50.9 | 0 | 0 | 0 | 0 | 107.7 | R614 V618 | R614-S616 PolarHBondContact O-N 3.47Å; S616-V618 PolarHBondContact O-N 2.88Å | ||
| 617 | L | 58.7 | Low | 60.7 | Low | 126 Ų | 126 | 123.5 Ų | 123.5 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | trans | -55.5 | 106.4 | 166.8 | -177.8 | 71.9 | 0 | 0 | 0 | 105.9 | L615 L619 | L615-L617 PolarHBondContact O-N 2.96Å; L617-L619 PolarHBondContact O-N 3.23Å | ||
| 618 | V | 59.6 | Low | 63.3 | Low | 124 Ų | 124 | 121 Ų | 121 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | trans | -62.7 | 104.9 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | S616 T620 | S616-V618 PolarHBondContact O-N 2.88Å; V618-T620 VanDerWaalsContact C-N 3.34Å; V618-T620 PolarHBondContact O-N 3.48Å | ||
| 619 | L | 69.8 | Low | 65.3 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | trans | -66.2 | 97.8 | -179.2 | -72.7 | 177.7 | 0 | 0 | 0 | 107.9 | L617 H623 F627 | L617-L619 PolarHBondContact O-N 3.23Å; L619-H623 HydrophobicContact CD2-CB 4.17Å; L619-F627 HydrophobicContact CD2-CD2 4.4Å; L619-F627 HydrophobicContact CD2-CE2 3.84Å | ||
| 620 | T | 81.8 | Confident | 67.8 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 41% | 0.405 | 62% | 0.616 | S | S | . | * | trans | -52.2 | 151.3 | 173.1 | 67.9 | 0 | 0 | 0 | 0 | 109.5 | V618 E622 H623 Q624 | V618-T620 VanDerWaalsContact C-N 3.34Å; V618-T620 PolarHBondContact O-N 3.48Å; T620-E622 PolarHBondContact O-N 2.74Å; T620-H623 PolarHBondContact O-N 3.19Å; T620-H623 PolarHBondContact OG1-N 3.23Å; T620-H623 PolarHBondContact OG1-ND1 2.94Å; T620-H623 VanDerWaalsContact OG1-ND1 3.14Å; T620-Q624 PolarHBondContact O-N 2.92Å | ||
| 621 | A | 81.5 | Confident | 70 | Confident | 87 Ų | 87 | 109.8 Ų | 109.8 | 72% | 0.719 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.1 | -28.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K625 | A621-K625 WeakPolarHBondContact O-CB 3.41Å; A621-K625 PolarHBondContact O-N 3.12Å |
| 622 | E | 79.3 | Confident | 72.1 | Confident | 139 Ų | 139 | 106.7 Ų | 106.7 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -47.4 | 172.7 | -59.7 | -144.1 | 114.9 | 0 | 0 | 113.3 | T620 K625 A626 | T620-E622 PolarHBondContact O-N 2.74Å; E622-K625 PolarHBondContact O-N 3.29Å; E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.42Å |
| 623 | H | 82.9 | Confident | 74.5 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175 | -69.1 | 144.2 | 0 | 0 | 0 | 111.2 | L619 T620 K625 A626 F627 | L619-H623 HydrophobicContact CD2-CB 4.17Å; T620-H623 PolarHBondContact O-N 3.19Å; T620-H623 PolarHBondContact OG1-N 3.23Å; T620-H623 PolarHBondContact OG1-ND1 2.94Å; T620-H623 VanDerWaalsContact OG1-ND1 3.14Å; H623-K625 VanDerWaalsContact C-N 3.34Å; H623-K625 PolarHBondContact O-N 3.06Å; H623-A626 PolarHBondContact O-N 3.19Å; H623-F627 HydrophobicContact CB-CE2 4.38Å; H623-F627 WeakPolarHBondContact O-CD2 3.43Å; H623-F627 PolarHBondContact O-N 3.22Å |
| 624 | Q | 84.6 | Confident | 76.9 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177 | -173.5 | 61.4 | 17.6 | 0 | 0 | 111.8 | T620 F627 C628 | T620-Q624 PolarHBondContact O-N 2.92Å; Q624-F627 PolarHBondContact O-N 2.87Å; Q624-C628 WeakPolarHBondContact O-CB 3.31Å; Q624-C628 PolarHBondContact O-N 2.9Å; Q624-C628 PolarHBondContact O-SG 2.96Å; Q624-C628 VanDerWaalsContact O-SG 3.35Å |
| 625 | K | 84.4 | Confident | 79.1 | Confident | 147 Ų | 147 | 95.9 Ų | 95.9 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 174.8 | -175.5 | 170.2 | -178.3 | 170.5 | 0 | 112 | A621 E622 H623 C628 Q629 | A621-K625 WeakPolarHBondContact O-CB 3.41Å; A621-K625 PolarHBondContact O-N 3.12Å; E622-K625 PolarHBondContact O-N 3.29Å; H623-K625 VanDerWaalsContact C-N 3.34Å; H623-K625 PolarHBondContact O-N 3.06Å; K625-C628 PolarHBondContact O-N 2.93Å; K625-Q629 WeakPolarHBondContact O-CB 3.19Å; K625-Q629 PolarHBondContact O-N 3.43Å |
| 626 | A | 82.5 | Confident | 81.4 | Confident | 40 Ų | 40 | 88.9 Ų | 88.9 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E622 H623 C628 Q629 I630 | E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.42Å; H623-A626 PolarHBondContact O-N 3.19Å; A626-C628 PolarHBondContact O-N 3.44Å; A626-Q629 PolarHBondContact O-N 3.47Å; A626-I630 WeakPolarHBondContact O-CB 3.27Å; A626-I630 WeakPolarHBondContact O-CG1 3.38Å; A626-I630 PolarHBondContact O-N 2.8Å |
| 627 | F | 84.9 | Confident | 83.4 | Confident | 124 Ų | 124 | 85.2 Ų | 85.2 | 54% | 0.544 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 175.1 | -75.8 | -59.8 | 0 | 0 | 0 | 112.4 | L619 H623 Q624 G631 | L619-F627 HydrophobicContact CD2-CD2 4.4Å; L619-F627 HydrophobicContact CD2-CE2 3.84Å; H623-F627 HydrophobicContact CB-CE2 4.38Å; H623-F627 WeakPolarHBondContact O-CD2 3.43Å; H623-F627 PolarHBondContact O-N 3.22Å; Q624-F627 PolarHBondContact O-N 2.87Å; F627-G631 PolarHBondContact O-N 3.35Å |
| 628 | C | 89.6 | Confident | 85 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 51% | 0.507 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.5 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | Q624 K625 A626 A632 | Q624-C628 WeakPolarHBondContact O-CB 3.31Å; Q624-C628 PolarHBondContact O-N 2.9Å; Q624-C628 PolarHBondContact O-SG 2.96Å; Q624-C628 VanDerWaalsContact O-SG 3.35Å; K625-C628 PolarHBondContact O-N 2.93Å; A626-C628 PolarHBondContact O-N 3.44Å; C628-A632 VanDerWaalsContact O-CB 3.31Å; C628-A632 WeakPolarHBondContact O-CB 3.3Å; C628-A632 PolarHBondContact O-N 2.61Å |
| 629 | Q | 87.8 | Confident | 86.6 | Confident | 99 Ų | 99 | 78.8 Ų | 78.8 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 179.7 | -173.3 | 172.3 | -4.2 | 0 | 0 | 111.9 | L21 K625 A626 G631 A632 M633 | L21-Q629 HydrophobicContact CD2-CG 4.01Å; K625-Q629 WeakPolarHBondContact O-CB 3.19Å; K625-Q629 PolarHBondContact O-N 3.43Å; A626-Q629 PolarHBondContact O-N 3.47Å; Q629-G631 VanDerWaalsContact C-N 3.34Å; Q629-G631 PolarHBondContact O-N 3.03Å; Q629-A632 PolarHBondContact O-N 2.95Å; Q629-M633 HydrophobicContact CG-SD 4.15Å; Q629-M633 VanDerWaalsContact O-CG 3.28Å; Q629-M633 WeakPolarHBondContact O-CG 3.43Å; Q629-M633 PolarHBondContact O-N 3.49Å |
| 630 | I | 89.3 | Confident | 87.7 | Confident | 69 Ų | 69 | 79.9 Ų | 79.9 | 35% | 0.354 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.7 | -67.4 | 164.8 | 0 | 0 | 0 | 110.4 | L21 A626 A632 M633 I634 | L21-I630 HydrophobicContact CD1-CD1 4.43Å; L21-I630 HydrophobicContact CD1-CG1 3.78Å; A626-I630 WeakPolarHBondContact O-CB 3.27Å; A626-I630 WeakPolarHBondContact O-CG1 3.38Å; A626-I630 PolarHBondContact O-N 2.8Å; I630-A632 PolarHBondContact O-N 2.83Å; I630-M633 PolarHBondContact O-N 3.19Å; I630-I634 HydrophobicContact CG2-CD1 3.68Å; I630-I634 HydrophobicContact CG2-CG1 4.38Å; I630-I634 WeakPolarHBondContact O-CG1 3.36Å; I630-I634 PolarHBondContact O-N 3.22Å |
| 631 | G | 90.1 | Very high | 88.1 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | F627 Q629 R635 | F627-G631 PolarHBondContact O-N 3.35Å; Q629-G631 VanDerWaalsContact C-N 3.34Å; Q629-G631 PolarHBondContact O-N 3.03Å; G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.25Å; G631-R635 WeakPolarHBondContact O-CG 3.28Å; G631-R635 PolarHBondContact O-N 3.38Å |
| 632 | A | 91.5 | Very high | 88.7 | Confident | 62 Ų | 62 | 75 Ų | 75 | 51% | 0.512 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C628 Q629 I630 G636 | C628-A632 VanDerWaalsContact O-CB 3.31Å; C628-A632 WeakPolarHBondContact O-CB 3.3Å; C628-A632 PolarHBondContact O-N 2.61Å; Q629-A632 PolarHBondContact O-N 2.95Å; I630-A632 PolarHBondContact O-N 2.83Å; A632-G636 PolarHBondContact O-N 3.1Å |
| 633 | M | 89.6 | Confident | 89.3 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 177.3 | -69.2 | 170.8 | 78.6 | 0 | 0 | 111.5 | F13 S17 L21 Q629 I630 G636 F637 | F13-M633 HydrophobicContact CZ-CB 4.3Å; F13-M633 WeakPolarHBondContact CZ-O 3.3Å; S17-M633 VanDerWaalsContact CB-CE 3.48Å; S17-M633 WeakPolarHBondContact OG-CE 3.48Å; L21-M633 HydrophobicContact CD1-SD 4.2Å; L21-M633 HydrophobicContact CD2-SD 4.22Å; L21-M633 HydrophobicContact CG-SD 4.27Å; Q629-M633 HydrophobicContact CG-SD 4.15Å; Q629-M633 VanDerWaalsContact O-CG 3.28Å; Q629-M633 WeakPolarHBondContact O-CG 3.43Å; Q629-M633 PolarHBondContact O-N 3.49Å; I630-M633 PolarHBondContact O-N 3.19Å; M633-G636 PolarHBondContact O-N 2.94Å; M633-F637 PolarHBondContact O-N 3.06Å |
| 634 | I | 90.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 178.4 | -66.2 | 170.6 | 0 | 0 | 0 | 111 | I630 G636 F637 L638 | I630-I634 HydrophobicContact CG2-CD1 3.68Å; I630-I634 HydrophobicContact CG2-CG1 4.38Å; I630-I634 WeakPolarHBondContact O-CG1 3.36Å; I630-I634 PolarHBondContact O-N 3.22Å; I634-G636 VanDerWaalsContact C-N 3.31Å; I634-G636 PolarHBondContact O-N 3.31Å; I634-F637 PolarHBondContact O-N 3.06Å; I634-L638 HydrophobicContact CG2-CD1 3.91Å; I634-L638 HydrophobicContact CG2-CG 4.37Å; I634-L638 WeakPolarHBondContact O-CG 3.38Å; I634-L638 PolarHBondContact O-N 3.28Å |
| 635 | R | 90.5 | Very high | 90 | Very high | 191 Ų | 191 | 67.8 Ų | 67.8 | 72% | 0.721 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.9 | -44.5 | 175.8 | -74.1 | 174.8 | -176.5 | -154.5 | 2.2 | 111.1 | G631 F637 L638 T639 | G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.25Å; G631-R635 WeakPolarHBondContact O-CG 3.28Å; G631-R635 PolarHBondContact O-N 3.38Å; R635-F637 PolarHBondContact O-N 3.36Å; R635-L638 PolarHBondContact O-N 3.25Å; R635-T639 WeakPolarHBondContact O-CB 3.28Å; R635-T639 PolarHBondContact O-N 2.86Å; R635-T639 PolarHBondContact O-OG1 2.91Å |
| 636 | G | 92.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 63.9 Ų | 63.9 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A632 M633 I634 R640 | A632-G636 PolarHBondContact O-N 3.1Å; M633-G636 PolarHBondContact O-N 2.94Å; I634-G636 VanDerWaalsContact C-N 3.31Å; I634-G636 PolarHBondContact O-N 3.31Å; G636-R640 VanDerWaalsContact C-NH1 3.33Å; G636-R640 WeakPolarHBondContact O-CB 3.38Å; G636-R640 VanDerWaalsContact O-CG 3.3Å; G636-R640 WeakPolarHBondContact O-CG 3.41Å; G636-R640 PolarHBondContact O-N 2.88Å; G636-R640 PolarHBondContact O-NH1 3.07Å |
| 637 | F | 91.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 173.9 | 172.3 | -87.5 | 0 | 0 | 0 | 111.7 | M7 E8 Y10 F13 M633 I634 R635 T639 R640 R641 | M7-F637 HydrophobicContact CE-CD2 3.6Å; M7-F637 HydrophobicContact CE-CE2 3.6Å; M7-F637 HydrophobicContact CE-CG 4.22Å; M7-F637 HydrophobicContact CE-CZ 4.19Å; E8-F637 HydrophobicContact CG-CD2 4.44Å; E8-F637 HydrophobicContact CG-CE2 4.09Å; Y10-F637 HydrophobicContact CD2-CD1 4.33Å; Y10-F637 AromaticContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CZ 4.04Å; F13-F637 HydrophobicContact CB-CD2 3.75Å; F13-F637 HydrophobicContact CB-CE2 3.6Å; F13-F637 HydrophobicContact CB-CZ 4.45Å; F13-F637 HydrophobicContact CD1-CB 4.03Å; F13-F637 HydrophobicContact CD1-CD1 4.25Å; F13-F637 AromaticContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CE2 4.03Å; F13-F637 AromaticContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD2-CB 4.21Å; F13-F637 AromaticContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CE2 4.32Å; F13-F637 HydrophobicContact CD2-CG 4.19Å; F13-F637 HydrophobicContact CE1-CB 3.61Å; F13-F637 HydrophobicContact CE1-CD1 4.42Å; F13-F637 HydrophobicContact CE1-CD2 4.08Å; F13-F637 AromaticContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE2-CB 3.83Å; F13-F637 HydrophobicContact CE2-CD2 4.09Å; F13-F637 HydrophobicContact CE2-CG 4.3Å; F13-F637 HydrophobicContact CG-CB 4.31Å; F13-F637 AromaticContact CG-CD2 3.29Å; F13-F637 HydrophobicContact CG-CD2 3.29Å; F13-F637 AromaticContact CG-CE2 3.7Å; F13-F637 HydrophobicContact CG-CE2 3.7Å; F13-F637 AromaticContact CG-CG 3.9Å; F13-F637 HydrophobicContact CG-CG 3.9Å; F13-F637 HydrophobicContact CZ-CB 3.51Å; F13-F637 HydrophobicContact CZ-CD2 4.33Å; F13-F637 HydrophobicContact CZ-CG 4.12Å; M633-F637 PolarHBondContact O-N 3.06Å; I634-F637 PolarHBondContact O-N 3.06Å; R635-F637 PolarHBondContact O-N 3.36Å; F637-T639 PolarHBondContact O-N 3.24Å; F637-R640 PolarHBondContact O-N 3.07Å; F637-R641 WeakPolarHBondContact O-CB 3.28Å; F637-R641 PolarHBondContact O-N 3.32Å |
| 638 | L | 91.8 | Very high | 91.2 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 179.7 | -68.3 | 173.5 | 0 | 0 | 0 | 111.7 | I634 R635 R641 L642 L711 L714 | I634-L638 HydrophobicContact CG2-CD1 3.91Å; I634-L638 HydrophobicContact CG2-CG 4.37Å; I634-L638 WeakPolarHBondContact O-CG 3.38Å; I634-L638 PolarHBondContact O-N 3.28Å; R635-L638 PolarHBondContact O-N 3.25Å; L638-R641 WeakPolarHBondContact O-CB 3.43Å; L638-R641 PolarHBondContact O-N 2.89Å; L638-R641 VanDerWaalsContact O-N 3.17Å; L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 PolarHBondContact O-N 3.36Å; L638-L711 HydrophobicContact CD1-CD2 4.48Å; L638-L711 HydrophobicContact CD2-CD2 4.44Å; L638-L714 HydrophobicContact CD2-CD1 3.9Å |
| 639 | T | 92.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 173.1 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | R635 F637 R641 L642 L643 F702 | R635-T639 WeakPolarHBondContact O-CB 3.28Å; R635-T639 PolarHBondContact O-N 2.86Å; R635-T639 PolarHBondContact O-OG1 2.91Å; F637-T639 PolarHBondContact O-N 3.24Å; T639-R641 PolarHBondContact O-N 2.97Å; T639-L642 PolarHBondContact O-N 3.37Å; T639-L643 HydrophobicContact CG2-CD1 4.47Å; T639-L643 WeakPolarHBondContact O-CG 3.4Å; T639-L643 PolarHBondContact O-N 2.85Å; T639-F702 HydrophobicContact CG2-CE1 3.97Å |
| 640 | R | 92.6 | Very high | 91.7 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -30.4 | 175.2 | -72.9 | -172.8 | -56.7 | -88.5 | 3.8 | 112.7 | M7 G636 F637 K644 | M7-R640 HydrophobicContact CE-CB 3.95Å; M7-R640 HydrophobicContact SD-CB 4.48Å; G636-R640 VanDerWaalsContact C-NH1 3.33Å; G636-R640 WeakPolarHBondContact O-CB 3.38Å; G636-R640 VanDerWaalsContact O-CG 3.3Å; G636-R640 WeakPolarHBondContact O-CG 3.41Å; G636-R640 PolarHBondContact O-N 2.88Å; G636-R640 PolarHBondContact O-NH1 3.07Å; F637-R640 PolarHBondContact O-N 3.07Å; R640-K644 WeakPolarHBondContact O-CG 3.43Å |
| 641 | R | 91.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74 | -41.8 | 175 | -157.9 | 72.8 | -179.7 | -158.9 | 6.8 | 111.1 | M7 E8 F637 L638 T639 K644 T645 L714 | M7-R641 HydrophobicContact CE-CB 4.06Å; M7-R641 PolarHBondContact O-NH1 2.96Å; M7-R641 HydrophobicContact SD-CB 4.36Å; M7-R641 VanDerWaalsContact SD-CD 3.5Å; E8-R641 PolarHBondContact O-NH1 3.19Å; F637-R641 WeakPolarHBondContact O-CB 3.28Å; F637-R641 PolarHBondContact O-N 3.32Å; L638-R641 WeakPolarHBondContact O-CB 3.43Å; L638-R641 PolarHBondContact O-N 2.89Å; L638-R641 VanDerWaalsContact O-N 3.17Å; T639-R641 PolarHBondContact O-N 2.97Å; R641-K644 CarbonylContact O-C 3.56Å; R641-K644 WeakPolarHBondContact O-CA 3.27Å; R641-K644 PolarHBondContact O-N 2.85Å; R641-T645 PolarHBondContact O-N 3.04Å; R641-L714 HydrophobicContact CB-CD2 3.83Å; R641-L714 HydrophobicContact CG-CD2 3.7Å |
| 642 | L | 93.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 178.4 | -152.5 | 68.6 | 0 | 0 | 0 | 110.1 | L638 T639 K644 T645 L648 I701 F702 R710 L713 L714 | L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 PolarHBondContact O-N 3.36Å; T639-L642 PolarHBondContact O-N 3.37Å; L642-K644 PolarHBondContact O-N 3.14Å; L642-K644 VanDerWaalsContact O-N 3.09Å; L642-T645 HydrophobicContact CD1-CG2 4.5Å; L642-T645 WeakPolarHBondContact O-CB 3.28Å; L642-T645 VanDerWaalsContact O-CG2 3.32Å; L642-T645 WeakPolarHBondContact O-CG2 3.38Å; L642-T645 PolarHBondContact O-N 2.96Å; L642-T645 PolarHBondContact O-OG1 3.2Å; L642-L648 HydrophobicContact CB-CD1 4.27Å; L642-L648 HydrophobicContact CD2-CD1 4.4Å; L642-L648 HydrophobicContact CG-CD1 3.84Å; L642-L648 VanDerWaalsContact O-CD1 3.22Å; L642-L648 WeakPolarHBondContact O-CD1 3.33Å; L642-I701 HydrophobicContact CD2-CG2 3.78Å; L642-I701 HydrophobicContact CG-CG2 4.23Å; L642-F702 HydrophobicContact CB-CE1 4.23Å; L642-F702 HydrophobicContact CB-CZ 4.25Å; L642-F702 HydrophobicContact CD2-CD1 4.08Å; L642-F702 HydrophobicContact CD2-CE1 3.63Å; L642-F702 HydrophobicContact CD2-CZ 4Å; L642-F702 HydrophobicContact CG-CE1 4.39Å; L642-F702 HydrophobicContact CG-CZ 4.39Å; L642-R710 HydrophobicContact CD2-CG 4.1Å; L642-L713 HydrophobicContact CD1-CD2 4.04Å; L642-L714 HydrophobicContact CB-CD2 4.4Å; L642-L714 HydrophobicContact CD1-CD1 4.21Å; L642-L714 HydrophobicContact CD1-CD2 3.87Å; L642-L714 HydrophobicContact CD1-CG 3.69Å |
| 643 | L | 92.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.8 | 172.7 | -69.6 | 172.4 | 0 | 0 | 0 | 114.6 | T639 F702 | T639-L643 HydrophobicContact CG2-CD1 4.47Å; T639-L643 WeakPolarHBondContact O-CG 3.4Å; T639-L643 PolarHBondContact O-N 2.85Å; L643-F702 HydrophobicContact CD2-CE2 3.78Å; L643-F702 HydrophobicContact CD2-CZ 3.56Å; L643-F702 HydrophobicContact CG-CZ 3.81Å |
| 644 | K | 90.7 | Very high | 92.9 | Very high | 94 Ų | 94 | 63.3 Ų | 63.3 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.9 | 176.2 | -68.8 | -172.5 | -169.7 | 179.8 | 0 | 113.7 | M7 R640 R641 L642 K649 | M7-K644 HydrophobicContact CB-CD 3.9Å; M7-K644 HydrophobicContact CG-CD 4.34Å; M7-K644 HydrophobicContact SD-CD 3.73Å; R640-K644 WeakPolarHBondContact O-CG 3.43Å; R641-K644 CarbonylContact O-C 3.56Å; R641-K644 WeakPolarHBondContact O-CA 3.27Å; R641-K644 PolarHBondContact O-N 2.85Å; L642-K644 PolarHBondContact O-N 3.14Å; L642-K644 VanDerWaalsContact O-N 3.09Å; K644-K649 WeakPolarHBondContact O-CE 3.39Å; K644-K649 PolarHBondContact O-NZ 2.96Å |
| 645 | T | 92.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -69.5 | 160.9 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | R641 L642 K649 L713 L714 D717 | R641-T645 PolarHBondContact O-N 3.04Å; L642-T645 HydrophobicContact CD1-CG2 4.5Å; L642-T645 WeakPolarHBondContact O-CB 3.28Å; L642-T645 VanDerWaalsContact O-CG2 3.32Å; L642-T645 WeakPolarHBondContact O-CG2 3.38Å; L642-T645 PolarHBondContact O-N 2.96Å; L642-T645 PolarHBondContact O-OG1 3.2Å; T645-K649 WeakPolarHBondContact O-CB 3.1Å; T645-K649 VanDerWaalsContact O-CG 3.31Å; T645-K649 WeakPolarHBondContact O-CG 3.49Å; T645-K649 PolarHBondContact O-N 2.9Å; T645-L713 HydrophobicContact CG2-CD2 3.59Å; T645-L714 HydrophobicContact CG2-CD2 3.81Å; T645-D717 WeakPolarHBondContact CA-OD1 3.4Å; T645-D717 HydrophobicContact CG2-CB 3.96Å |
| 646 | E | 90.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | -178.5 | -168.6 | 159.3 | -109.6 | 0 | 0 | 113.7 | L648 K649 Q650 R724 | E646-L648 PolarHBondContact O-N 3.08Å; E646-K649 PolarHBondContact O-N 3.42Å; E646-Q650 HydrophobicContact CG-CG 4.37Å; E646-Q650 WeakPolarHBondContact O-CB 3.44Å; E646-Q650 WeakPolarHBondContact O-CG 3.41Å; E646-Q650 PolarHBondContact O-N 2.68Å; E646-R724 IonicContact OE1-CZ 3.27Å; E646-R724 VanDerWaalsContact OE1-CZ 3.29Å; E646-R724 IonicContact OE1-NH1 3.92Å; E646-R724 PolarHBondContact OE1-NH1 2.89Å; E646-R724 IonicContact OE1-NH2 3.71Å; E646-R724 PolarHBondContact OE1-NH2 3.3Å; E646-R724 IonicContact OE2-CZ 2.96Å; E646-R724 IonicContact OE2-NH1 2.71Å; E646-R724 IonicContact OE2-NH2 3.26Å; E646-R724 PolarHBondContact OE2-NH2 2.91Å |
| 647 | K | 91.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 57.4 Ų | 57.4 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54 | -54.4 | 175.2 | -172.8 | -174.6 | -179.8 | -162.2 | 0 | 109.9 | K649 Q650 L651 E700 I701 L713 | K647-K649 PolarHBondContact O-N 2.81Å; K647-Q650 PolarHBondContact O-N 3.24Å; K647-L651 VanDerWaalsContact O-CB 3.24Å; K647-L651 WeakPolarHBondContact O-CB 3.37Å; K647-L651 PolarHBondContact O-N 2.88Å; K647-E700 IonicContact NZ-OE2 2.9Å; K647-E700 PolarHBondContact NZ-OE2 2.86Å; K647-I701 HydrophobicContact CD-CD1 3.57Å; K647-I701 HydrophobicContact CD-CG1 4.2Å; K647-I701 HydrophobicContact CG-CD1 4.13Å; K647-L713 HydrophobicContact CD-CD1 4.27Å |
| 648 | L | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -31.1 | -177.5 | -84.5 | 165.6 | 0 | 0 | 0 | 113.8 | L642 E646 L651 C652 I698 I701 F702 | L642-L648 HydrophobicContact CB-CD1 4.27Å; L642-L648 HydrophobicContact CD2-CD1 4.4Å; L642-L648 HydrophobicContact CG-CD1 3.84Å; L642-L648 VanDerWaalsContact O-CD1 3.22Å; L642-L648 WeakPolarHBondContact O-CD1 3.33Å; E646-L648 PolarHBondContact O-N 3.08Å; L648-L651 HydrophobicContact CD2-CD2 4.39Å; L648-L651 PolarHBondContact O-N 2.87Å; L648-C652 VanDerWaalsContact O-CB 3.3Å; L648-C652 WeakPolarHBondContact O-CB 3.28Å; L648-C652 PolarHBondContact O-N 3.27Å; L648-C652 PolarHBondContact O-SG 3.23Å; L648-I698 HydrophobicContact CD2-CB 4.5Å; L648-I698 HydrophobicContact CD2-CG1 4.01Å; L648-I698 HydrophobicContact CD2-CG2 4.3Å; L648-I701 HydrophobicContact CD1-CG2 3.83Å; L648-I701 HydrophobicContact CD2-CD1 3.82Å; L648-I701 HydrophobicContact CG-CD1 3.88Å; L648-I701 HydrophobicContact CG-CG2 4.35Å; L648-F702 HydrophobicContact CD1-CE2 3.56Å; L648-F702 HydrophobicContact CD1-CZ 3.64Å; L648-F702 HydrophobicContact CD2-CE2 3.84Å; L648-F702 HydrophobicContact CG-CE2 4.39Å |
| 649 | K | 94.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 171.5 | -81 | 166.9 | 171.1 | 156.4 | 0 | 112.3 | K644 T645 E646 K647 L651 Q653 | K644-K649 WeakPolarHBondContact O-CE 3.39Å; K644-K649 PolarHBondContact O-NZ 2.96Å; T645-K649 WeakPolarHBondContact O-CB 3.1Å; T645-K649 VanDerWaalsContact O-CG 3.31Å; T645-K649 WeakPolarHBondContact O-CG 3.49Å; T645-K649 PolarHBondContact O-N 2.9Å; E646-K649 PolarHBondContact O-N 3.42Å; K647-K649 PolarHBondContact O-N 2.81Å; K649-L651 PolarHBondContact O-N 3.36Å; K649-Q653 VanDerWaalsContact O-CB 3.31Å; K649-Q653 WeakPolarHBondContact O-CB 3.38Å; K649-Q653 PolarHBondContact O-N 3.38Å |
| 650 | Q | 94.6 | Very high | 94.4 | Very high | 115 Ų | 115 | 65.6 Ų | 65.6 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.6 | -71.8 | 168.7 | -19.4 | 0 | 0 | 110.9 | E646 K647 Q653 T654 | E646-Q650 HydrophobicContact CG-CG 4.37Å; E646-Q650 WeakPolarHBondContact O-CB 3.44Å; E646-Q650 WeakPolarHBondContact O-CG 3.41Å; E646-Q650 PolarHBondContact O-N 2.68Å; K647-Q650 PolarHBondContact O-N 3.24Å; Q650-Q653 PolarHBondContact O-N 2.88Å; Q650-T654 WeakPolarHBondContact O-CB 3.2Å; Q650-T654 PolarHBondContact O-N 3.42Å; Q650-T654 PolarHBondContact O-OG1 3.24Å |
| 651 | L | 96.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.4 | -45 | -178.6 | -159.9 | 59.9 | 0 | 0 | 0 | 112.9 | K647 L648 K649 Q653 T654 V655 A694 D697 I698 I701 | K647-L651 VanDerWaalsContact O-CB 3.24Å; K647-L651 WeakPolarHBondContact O-CB 3.37Å; K647-L651 PolarHBondContact O-N 2.88Å; L648-L651 HydrophobicContact CD2-CD2 4.39Å; L648-L651 PolarHBondContact O-N 2.87Å; K649-L651 PolarHBondContact O-N 3.36Å; L651-Q653 VanDerWaalsContact C-N 3.29Å; L651-Q653 PolarHBondContact O-N 3.5Å; L651-T654 WeakPolarHBondContact O-CB 3.46Å; L651-T654 PolarHBondContact O-N 2.71Å; L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 3.47Å; L651-A694 HydrophobicContact CD1-CB 3.84Å; L651-A694 WeakPolarHBondContact CG-O 3.18Å; L651-D697 HydrophobicContact CD1-CB 3.88Å; L651-D697 HydrophobicContact CD2-CB 3.45Å; L651-D697 VanDerWaalsContact CD2-CB 3.45Å; L651-D697 HydrophobicContact CG-CB 4.24Å; L651-I698 HydrophobicContact CB-CG1 4.48Å; L651-I698 HydrophobicContact CD2-CB 4.38Å; L651-I698 HydrophobicContact CD2-CD1 4.47Å; L651-I698 HydrophobicContact CD2-CG1 3.44Å; L651-I698 VanDerWaalsContact CD2-CG1 3.44Å; L651-I698 HydrophobicContact CG-CD1 4.27Å; L651-I698 HydrophobicContact CG-CG1 3.74Å; L651-I701 HydrophobicContact CD2-CD1 4.06Å |
| 652 | C | 95.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 171.7 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | L648 A656 | L648-C652 VanDerWaalsContact O-CB 3.3Å; L648-C652 WeakPolarHBondContact O-CB 3.28Å; L648-C652 PolarHBondContact O-N 3.27Å; L648-C652 PolarHBondContact O-SG 3.23Å; C652-A656 PolarHBondContact O-N 2.89Å |
| 653 | Q | 96.3 | Very high | 94.6 | Very high | 111 Ų | 111 | 67 Ų | 67 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 171.7 | -167.5 | 65.7 | 54.1 | 0 | 0 | 110.5 | K649 Q650 L651 V655 A656 D657 | K649-Q653 VanDerWaalsContact O-CB 3.31Å; K649-Q653 WeakPolarHBondContact O-CB 3.38Å; K649-Q653 PolarHBondContact O-N 3.38Å; Q650-Q653 PolarHBondContact O-N 2.88Å; L651-Q653 VanDerWaalsContact C-N 3.29Å; L651-Q653 PolarHBondContact O-N 3.5Å; Q653-V655 VanDerWaalsContact C-N 3.27Å; Q653-V655 PolarHBondContact O-N 3.04Å; Q653-A656 CarbonylContact O-C 3.58Å; Q653-A656 WeakPolarHBondContact O-CA 3.19Å; Q653-A656 WeakPolarHBondContact O-CB 3.35Å; Q653-A656 PolarHBondContact O-N 3.11Å; Q653-D657 PolarHBondContact NE2-OD1 3.42Å; Q653-D657 PolarHBondContact O-N 3.4Å |
| 654 | T | 96.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 175.6 | -55 | 0 | 0 | 0 | 0 | 111.9 | Q650 L651 T658 A694 | Q650-T654 WeakPolarHBondContact O-CB 3.2Å; Q650-T654 PolarHBondContact O-N 3.42Å; Q650-T654 PolarHBondContact O-OG1 3.24Å; L651-T654 WeakPolarHBondContact O-CB 3.46Å; L651-T654 PolarHBondContact O-N 2.71Å; T654-T658 HydrophobicContact CG2-CG2 4.31Å; T654-T658 WeakPolarHBondContact O-CB 3.31Å; T654-T658 WeakPolarHBondContact O-CG2 3.39Å; T654-T658 PolarHBondContact O-N 2.98Å; T654-T658 PolarHBondContact O-OG1 3.23Å; T654-A694 HydrophobicContact CG2-CB 4.18Å |
| 655 | V | 97.2 | Very high | 94.4 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | L651 Q653 R659 L691 A694 L695 I698 | L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 3.47Å; Q653-V655 VanDerWaalsContact C-N 3.27Å; Q653-V655 PolarHBondContact O-N 3.04Å; V655-R659 WeakPolarHBondContact O-CB 3.49Å; V655-R659 PolarHBondContact O-N 3.44Å; V655-L691 HydrophobicContact CB-CD1 4.29Å; V655-L691 HydrophobicContact CG1-CD1 3.95Å; V655-L691 HydrophobicContact CG2-CD1 4.23Å; V655-A694 HydrophobicContact CG2-CB 3.74Å; V655-L695 HydrophobicContact CG1-CD2 4.12Å; V655-L695 HydrophobicContact CG2-CD2 4.02Å; V655-L695 HydrophobicContact CG2-CG 4.24Å; V655-I698 HydrophobicContact CG2-CD1 4.11Å |
| 656 | A | 97.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 66 Ų | 66 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.2 | -54.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C652 Q653 T658 R659 E660 | C652-A656 PolarHBondContact O-N 2.89Å; Q653-A656 CarbonylContact O-C 3.58Å; Q653-A656 WeakPolarHBondContact O-CA 3.19Å; Q653-A656 WeakPolarHBondContact O-CB 3.35Å; Q653-A656 PolarHBondContact O-N 3.11Å; A656-T658 PolarHBondContact O-N 3.01Å; A656-R659 PolarHBondContact O-N 2.87Å; A656-R659 VanDerWaalsContact O-N 3.13Å; A656-E660 WeakPolarHBondContact O-CB 3.2Å; A656-E660 PolarHBondContact O-N 2.95Å |
| 657 | D | 96.5 | Very high | 94 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | -177.8 | -55.9 | -17.1 | 0 | 0 | 0 | 111.7 | Q653 F661 | Q653-D657 PolarHBondContact NE2-OD1 3.42Å; Q653-D657 PolarHBondContact O-N 3.4Å; D657-F661 WeakPolarHBondContact O-CB 3.43Å; D657-F661 PolarHBondContact O-N 3.02Å |
| 658 | T | 96.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72 | -31.6 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | T654 A656 I662 V687 Q690 | T654-T658 HydrophobicContact CG2-CG2 4.31Å; T654-T658 WeakPolarHBondContact O-CB 3.31Å; T654-T658 WeakPolarHBondContact O-CG2 3.39Å; T654-T658 PolarHBondContact O-N 2.98Å; T654-T658 PolarHBondContact O-OG1 3.23Å; A656-T658 PolarHBondContact O-N 3.01Å; T658-I662 WeakPolarHBondContact O-CD1 3.21Å; T658-I662 VanDerWaalsContact O-CG1 3.23Å; T658-I662 WeakPolarHBondContact O-CG1 3.47Å; T658-I662 PolarHBondContact O-N 3.46Å; T658-V687 HydrophobicContact CG2-CG1 4.04Å; T658-Q690 HydrophobicContact CG2-CG 4.13Å |
| 659 | R | 95.9 | Very high | 93 | Very high | 153 Ų | 153 | 68.3 Ų | 68.3 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70 | -45.7 | 172.6 | 178.3 | -179.8 | 176.4 | 165.4 | 3.9 | 111.5 | V655 A656 F661 I662 Q663 | V655-R659 WeakPolarHBondContact O-CB 3.49Å; V655-R659 PolarHBondContact O-N 3.44Å; A656-R659 PolarHBondContact O-N 2.87Å; A656-R659 VanDerWaalsContact O-N 3.13Å; R659-F661 VanDerWaalsContact C-N 3.33Å; R659-I662 PolarHBondContact O-N 2.82Å; R659-Q663 WeakPolarHBondContact O-CG 3.48Å; R659-Q663 PolarHBondContact O-N 3.26Å |
| 660 | E | 95.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 177.3 | -173.4 | 172.1 | 178.1 | 0 | 0 | 110.4 | A656 Q663 S664 | A656-E660 WeakPolarHBondContact O-CB 3.2Å; A656-E660 PolarHBondContact O-N 2.95Å; E660-Q663 PolarHBondContact O-N 3.28Å; E660-S664 WeakPolarHBondContact O-CB 3.47Å; E660-S664 PolarHBondContact O-N 3.01Å; E660-S664 PolarHBondContact O-OG 3.13Å |
| 661 | F | 95.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56 | -52.7 | 170.8 | -179.4 | -86.6 | 0 | 0 | 0 | 111.8 | D657 R659 Q663 S664 F665 L683 V687 | D657-F661 WeakPolarHBondContact O-CB 3.43Å; D657-F661 PolarHBondContact O-N 3.02Å; R659-F661 VanDerWaalsContact C-N 3.33Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.39Å; F661-S664 WeakPolarHBondContact CA-OG 3.2Å; F661-S664 PolarHBondContact O-N 2.92Å; F661-S664 PolarHBondContact O-OG 3.21Å; F661-F665 HydrophobicContact CE1-CB 4.21Å; F661-F665 HydrophobicContact CE1-CD2 4.1Å; F661-F665 HydrophobicContact CE1-CG 4.23Å; F661-F665 AromaticContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CE2 4.45Å; F661-F665 HydrophobicContact CZ-CG 4.48Å; F661-F665 VanDerWaalsContact O-CB 3.29Å; F661-F665 WeakPolarHBondContact O-CB 3.32Å; F661-F665 PolarHBondContact O-N 3.41Å; F661-L683 HydrophobicContact CZ-CD2 4.07Å; F661-L683 HydrophobicContact CZ-CG 4.38Å; F661-V687 HydrophobicContact CD1-CB 4.27Å; F661-V687 HydrophobicContact CD1-CG1 3.87Å; F661-V687 HydrophobicContact CD1-CG2 3.97Å; F661-V687 HydrophobicContact CE1-CB 4.47Å; F661-V687 HydrophobicContact CE1-CG2 3.87Å |
| 662 | I | 93.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 74.6 Ų | 74.6 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 179.6 | -71.9 | 164.1 | 0 | 0 | 0 | 111 | T658 R659 F665 E666 V687 R688 L691 | T658-I662 WeakPolarHBondContact O-CD1 3.21Å; T658-I662 VanDerWaalsContact O-CG1 3.23Å; T658-I662 WeakPolarHBondContact O-CG1 3.47Å; T658-I662 PolarHBondContact O-N 3.46Å; R659-I662 PolarHBondContact O-N 2.82Å; I662-F665 PolarHBondContact O-N 3.19Å; I662-E666 HydrophobicContact CG2-CG 4.39Å; I662-E666 VanDerWaalsContact CG2-OE1 3.26Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.22Å; I662-E666 WeakPolarHBondContact O-CB 3.47Å; I662-E666 VanDerWaalsContact O-CG 3.3Å; I662-E666 WeakPolarHBondContact O-CG 3.31Å; I662-E666 PolarHBondContact O-N 2.98Å; I662-V687 HydrophobicContact CD1-CG1 4.05Å; I662-V687 HydrophobicContact CG1-CB 4.5Å; I662-V687 HydrophobicContact CG1-CG1 3.91Å; I662-R688 HydrophobicContact CD1-CG 3.78Å; I662-L691 HydrophobicContact CD1-CD2 3.9Å |
| 663 | Q | 92.4 | Very high | 89.3 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 178.7 | -70.4 | 178.5 | -51.2 | 0 | 0 | 112.7 | R659 E660 F661 T667 | R659-Q663 WeakPolarHBondContact O-CG 3.48Å; R659-Q663 PolarHBondContact O-N 3.26Å; E660-Q663 PolarHBondContact O-N 3.28Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.39Å; Q663-T667 WeakPolarHBondContact O-CG2 3.46Å; Q663-T667 PolarHBondContact O-N 3.4Å; Q663-T667 PolarHBondContact O-OG1 3.31Å |
| 664 | S | 91.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 80 Ų | 80 | 42% | 0.42 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 173.7 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | E660 F661 T667 E668 | E660-S664 WeakPolarHBondContact O-CB 3.47Å; E660-S664 PolarHBondContact O-N 3.01Å; E660-S664 PolarHBondContact O-OG 3.13Å; F661-S664 WeakPolarHBondContact CA-OG 3.2Å; F661-S664 PolarHBondContact O-N 2.92Å; F661-S664 PolarHBondContact O-OG 3.21Å; S664-T667 WeakPolarHBondContact CA-OG1 3.39Å; S664-T667 PolarHBondContact O-N 2.8Å; S664-T667 PolarHBondContact O-OG1 3Å; S664-E668 WeakPolarHBondContact O-CB 3.26Å; S664-E668 PolarHBondContact O-N 3.41Å |
| 665 | F | 88.9 | Confident | 87.2 | Confident | 24 Ų | 24 | 84 Ų | 84 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 178.5 | -164.6 | -101.2 | 0 | 0 | 0 | 112.6 | F661 I662 E668 A669 Y676 D680 L683 Q684 | F661-F665 HydrophobicContact CE1-CB 4.21Å; F661-F665 HydrophobicContact CE1-CD2 4.1Å; F661-F665 HydrophobicContact CE1-CG 4.23Å; F661-F665 AromaticContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CE2 4.45Å; F661-F665 HydrophobicContact CZ-CG 4.48Å; F661-F665 VanDerWaalsContact O-CB 3.29Å; F661-F665 WeakPolarHBondContact O-CB 3.32Å; F661-F665 PolarHBondContact O-N 3.41Å; I662-F665 PolarHBondContact O-N 3.19Å; F665-E668 PolarHBondContact O-N 3.16Å; F665-A669 WeakPolarHBondContact O-CB 3.21Å; F665-A669 PolarHBondContact O-N 2.96Å; F665-Y676 HydrophobicContact CD1-CE1 4.05Å; F665-Y676 AromaticContact CE1-CD1 3.98Å; F665-Y676 HydrophobicContact CE1-CD1 3.98Å; F665-Y676 AromaticContact CE1-CE1 3.83Å; F665-Y676 HydrophobicContact CE1-CE1 3.83Å; F665-D680 HydrophobicContact CE1-CB 4.14Å; F665-D680 HydrophobicContact CZ-CB 3.66Å; F665-L683 HydrophobicContact CE2-CD2 3.97Å; F665-L683 HydrophobicContact CZ-CD2 4.32Å; F665-Q684 HydrophobicContact CD1-CG 4.29Å; F665-Q684 HydrophobicContact CE1-CB 4.13Å; F665-Q684 HydrophobicContact CE1-CG 4.33Å |
| 666 | E | 86.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | 175.8 | -71.9 | 167.9 | 179.7 | 0 | 0 | 111.7 | I662 A670 R688 | I662-E666 HydrophobicContact CG2-CG 4.39Å; I662-E666 VanDerWaalsContact CG2-OE1 3.26Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.22Å; I662-E666 WeakPolarHBondContact O-CB 3.47Å; I662-E666 VanDerWaalsContact O-CG 3.3Å; I662-E666 WeakPolarHBondContact O-CG 3.31Å; I662-E666 PolarHBondContact O-N 2.98Å; E666-A670 WeakPolarHBondContact O-CB 3.47Å; E666-A670 PolarHBondContact O-N 2.76Å; E666-R688 IonicContact OE1-CZ 2.67Å; E666-R688 IonicContact OE1-NH2 3.9Å; E666-R688 PolarHBondContact OE1-NH2 3.44Å |
| 667 | T | 86.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 87.9 Ų | 87.9 | 49% | 0.485 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.7 | -37 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | Q663 S664 A670 Q671 | Q663-T667 WeakPolarHBondContact O-CG2 3.46Å; Q663-T667 PolarHBondContact O-N 3.4Å; Q663-T667 PolarHBondContact O-OG1 3.31Å; S664-T667 WeakPolarHBondContact CA-OG1 3.39Å; S664-T667 PolarHBondContact O-N 2.8Å; S664-T667 PolarHBondContact O-OG1 3Å; T667-A670 PolarHBondContact O-N 2.91Å; T667-Q671 WeakPolarHBondContact O-CG 3.49Å; T667-Q671 PolarHBondContact O-N 3.4Å |
| 668 | E | 85.9 | Confident | 85.7 | Confident | 91 Ų | 91 | 88.9 Ų | 88.9 | 43% | 0.425 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 175.6 | -172.8 | 178.6 | 171 | 0 | 0 | 111.5 | S664 F665 Q671 K672 | S664-E668 WeakPolarHBondContact O-CB 3.26Å; S664-E668 PolarHBondContact O-N 3.41Å; F665-E668 PolarHBondContact O-N 3.16Å; E668-Q671 PolarHBondContact O-N 3.36Å; E668-K672 HydrophobicContact CG-CD 4.25Å; E668-K672 WeakPolarHBondContact O-CB 3.45Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 2.95Å; E668-K672 WeakPolarHBondContact OE1-CE 3.22Å; E668-K672 IonicContact OE1-NZ 3.64Å; E668-K672 PolarHBondContact OE1-NZ 3.04Å |
| 669 | A | 80.4 | Confident | 85.4 | Confident | 21 Ų | 21 | 95.8 Ų | 95.8 | 17% | 0.174 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F665 Q671 K672 R673 Y676 | F665-A669 WeakPolarHBondContact O-CB 3.21Å; F665-A669 PolarHBondContact O-N 2.96Å; A669-Q671 PolarHBondContact O-N 3.36Å; A669-K672 PolarHBondContact O-N 3.17Å; A669-R673 PolarHBondContact O-N 3.11Å; A669-R673 VanDerWaalsContact O-N 3.15Å; A669-Y676 HydrophobicContact CB-CD1 4.08Å; A669-Y676 HydrophobicContact CB-CE1 3.34Å |
| 670 | A | 76.9 | Confident | 85.1 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E666 T667 R673 | E666-A670 WeakPolarHBondContact O-CB 3.47Å; E666-A670 PolarHBondContact O-N 2.76Å; T667-A670 PolarHBondContact O-N 2.91Å; A670-R673 PolarHBondContact O-N 2.92Å |
| 671 | Q | 78.8 | Confident | 84.9 | Confident | 162 Ų | 162 | 88.2 Ų | 88.2 | 76% | 0.757 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66 | -38 | 175 | -72.6 | 172.8 | 18.9 | 0 | 0 | 112.5 | T667 E668 A669 R673 | T667-Q671 WeakPolarHBondContact O-CG 3.49Å; T667-Q671 PolarHBondContact O-N 3.4Å; E668-Q671 PolarHBondContact O-N 3.36Å; A669-Q671 PolarHBondContact O-N 3.36Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.27Å |
| 672 | K | 76.4 | Confident | 84.8 | Confident | 143 Ų | 143 | 87 Ų | 87 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -76.4 | -11.2 | 179.6 | -72.6 | 178.1 | -177.1 | 173.9 | 0 | 114.5 | E668 A669 G674 | E668-K672 HydrophobicContact CG-CD 4.25Å; E668-K672 WeakPolarHBondContact O-CB 3.45Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 2.95Å; E668-K672 WeakPolarHBondContact OE1-CE 3.22Å; E668-K672 IonicContact OE1-NZ 3.64Å; E668-K672 PolarHBondContact OE1-NZ 3.04Å; A669-K672 PolarHBondContact O-N 3.17Å; K672-G674 PolarHBondContact O-N 3.49Å |
| 673 | R | 69.6 | Low | 84.8 | Confident | 240 Ų | 240 | 88.9 Ų | 88.9 | 91% | 0.906 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 17.5 | 179.4 | -81 | -169.8 | 172.1 | -168 | -0.8 | 115.8 | A669 A670 Q671 | A669-R673 PolarHBondContact O-N 3.11Å; A669-R673 VanDerWaalsContact O-N 3.15Å; A670-R673 PolarHBondContact O-N 2.92Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.27Å |
| 674 | G | 73.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 84.8 Ų | 84.8 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -101.5 | 151.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K672 | K672-G674 PolarHBondContact O-N 3.49Š|
| 675 | P | 76.1 | Confident | 84.9 | Confident | 124 Ų | 124 | 88 Ų | 88 | 81% | 0.805 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 142.8 | 165.1 | 29.2 | -34 | 0 | 0 | 0 | 110 | T677 | P675-T677 PolarHBondContact O-N 2.85Š|
| 676 | Y | 83.2 | Confident | 85.3 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 134.8 | 175.6 | -66.5 | -81.1 | 0 | 0 | 0 | 111 | F665 A669 D680 L681 | F665-Y676 HydrophobicContact CD1-CE1 4.05Å; F665-Y676 AromaticContact CE1-CD1 3.98Å; F665-Y676 HydrophobicContact CE1-CD1 3.98Å; F665-Y676 AromaticContact CE1-CE1 3.83Å; F665-Y676 HydrophobicContact CE1-CE1 3.83Å; A669-Y676 HydrophobicContact CB-CD1 4.08Å; A669-Y676 HydrophobicContact CB-CE1 3.34Å; Y676-D680 HydrophobicContact CD1-CB 4.13Å; Y676-L681 HydrophobicContact CD2-CD2 4.35Å; Y676-L681 HydrophobicContact CG-CD2 4.17Å |
| 677 | T | 89.3 | Confident | 85.8 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 162.1 | 171.9 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | P675 Q679 D680 L681 | P675-T677 PolarHBondContact O-N 2.85Å; T677-Q679 PolarHBondContact O-N 3.11Å; T677-Q679 PolarHBondContact OG1-N 2.82Å; T677-D680 VanDerWaalsContact CB-OD2 3.27Å; T677-D680 WeakPolarHBondContact CB-OD2 3.11Å; T677-D680 WeakPolarHBondContact CG2-OD2 3.45Å; T677-D680 PolarHBondContact N-OD2 3.05Å; T677-D680 WeakPolarHBondContact O-CB 3.47Å; T677-D680 PolarHBondContact O-N 2.89Å; T677-D680 VanDerWaalsContact O-N 3.07Å; T677-D680 PolarHBondContact OG1-N 3.49Å; T677-D680 VanDerWaalsContact OG1-N 3.11Å; T677-D680 PolarHBondContact OG1-OD2 3.22Å; T677-L681 WeakPolarHBondContact O-CG 3.5Å; T677-L681 PolarHBondContact O-N 3.04Å |
| 678 | S | 86.9 | Confident | 86.2 | Confident | 100 Ų | 100 | 91.5 Ų | 91.5 | 70% | 0.699 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -28 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 113 | S682 | S678-S682 WeakPolarHBondContact O-CB 3.22Å; S678-S682 PolarHBondContact O-N 2.93Å; S678-S682 VanDerWaalsContact O-N 3.14Å |
| 679 | Q | 90.9 | Very high | 86.7 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.1 | -40.2 | 174 | -59.2 | -173.5 | 10.1 | 0 | 0 | 111.6 | T677 S682 L683 | T677-Q679 PolarHBondContact O-N 3.11Å; T677-Q679 PolarHBondContact OG1-N 2.82Å; Q679-S682 PolarHBondContact O-N 3.13Å; Q679-L683 WeakPolarHBondContact O-CB 3.48Å; Q679-L683 PolarHBondContact O-N 3.32Å |
| 680 | D | 90.6 | Very high | 87.5 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 27% | 0.273 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 175.6 | -65.2 | -47.1 | 0 | 0 | 0 | 111.7 | F665 Y676 T677 L683 Q684 | F665-D680 HydrophobicContact CE1-CB 4.14Å; F665-D680 HydrophobicContact CZ-CB 3.66Å; Y676-D680 HydrophobicContact CD1-CB 4.13Å; T677-D680 VanDerWaalsContact CB-OD2 3.27Å; T677-D680 WeakPolarHBondContact CB-OD2 3.11Å; T677-D680 WeakPolarHBondContact CG2-OD2 3.45Å; T677-D680 PolarHBondContact N-OD2 3.05Å; T677-D680 WeakPolarHBondContact O-CB 3.47Å; T677-D680 PolarHBondContact O-N 2.89Å; T677-D680 VanDerWaalsContact O-N 3.07Å; T677-D680 PolarHBondContact OG1-N 3.49Å; T677-D680 VanDerWaalsContact OG1-N 3.11Å; T677-D680 PolarHBondContact OG1-OD2 3.22Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 2.93Å; D680-Q684 WeakPolarHBondContact O-CB 3.32Å; D680-Q684 PolarHBondContact O-N 2.88Å |
| 681 | L | 89.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 174.8 | -67.7 | 174.1 | 0 | 0 | 0 | 110.8 | Y676 T677 L683 Q684 E685 | Y676-L681 HydrophobicContact CD2-CD2 4.35Å; Y676-L681 HydrophobicContact CG-CD2 4.17Å; T677-L681 WeakPolarHBondContact O-CG 3.5Å; T677-L681 PolarHBondContact O-N 3.04Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.31Å; L681-Q684 PolarHBondContact O-N 2.82Å; L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 WeakPolarHBondContact O-CG 3.41Å; L681-E685 PolarHBondContact O-N 3.32Å |
| 682 | S | 93.9 | Very high | 89.3 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 113.4 | S678 Q679 R686 | S678-S682 WeakPolarHBondContact O-CB 3.22Å; S678-S682 PolarHBondContact O-N 2.93Å; S678-S682 VanDerWaalsContact O-N 3.14Å; Q679-S682 PolarHBondContact O-N 3.13Å; S682-R686 VanDerWaalsContact O-CG 3.31Å; S682-R686 WeakPolarHBondContact O-CG 3.39Å; S682-R686 PolarHBondContact O-N 3.47Å; S682-R686 PolarHBondContact O-NE 2.77Å |
| 683 | L | 94.3 | Very high | 90.3 | Very high | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.293 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.5 | -47.6 | 172 | -179.7 | 58.5 | 0 | 0 | 0 | 111.2 | F661 F665 Q679 D680 L681 E685 R686 V687 | F661-L683 HydrophobicContact CZ-CD2 4.07Å; F661-L683 HydrophobicContact CZ-CG 4.38Å; F665-L683 HydrophobicContact CE2-CD2 3.97Å; F665-L683 HydrophobicContact CZ-CD2 4.32Å; Q679-L683 WeakPolarHBondContact O-CB 3.48Å; Q679-L683 PolarHBondContact O-N 3.32Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 2.93Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.31Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 3.3Å; L683-R686 PolarHBondContact O-N 3.48Å; L683-V687 HydrophobicContact CD1-CG2 4.26Å; L683-V687 WeakPolarHBondContact O-CG2 3.45Å; L683-V687 PolarHBondContact O-N 3.26Å |
| 684 | Q | 91.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 179.6 | -158.3 | -175.1 | 59.8 | 0 | 0 | 111.6 | F665 D680 L681 R688 | F665-Q684 HydrophobicContact CD1-CG 4.29Å; F665-Q684 HydrophobicContact CE1-CB 4.13Å; F665-Q684 HydrophobicContact CE1-CG 4.33Å; D680-Q684 WeakPolarHBondContact O-CB 3.32Å; D680-Q684 PolarHBondContact O-N 2.88Å; L681-Q684 PolarHBondContact O-N 2.82Å; Q684-R688 VanDerWaalsContact O-CB 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.34Å; Q684-R688 VanDerWaalsContact O-CG 3.24Å; Q684-R688 WeakPolarHBondContact O-CG 3.18Å; Q684-R688 PolarHBondContact O-N 2.95Å; Q684-R688 VanDerWaalsContact OE1-CZ 3.29Å |
| 685 | E | 93.8 | Very high | 92.7 | Very high | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 171.8 | -76.2 | -178.7 | 157.6 | 0 | 0 | 112.6 | L681 L683 R688 A689 | L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 WeakPolarHBondContact O-CG 3.41Å; L681-E685 PolarHBondContact O-N 3.32Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 3.3Å; E685-R688 PolarHBondContact O-N 2.92Å; E685-A689 WeakPolarHBondContact O-CB 3.48Å; E685-A689 PolarHBondContact O-N 2.89Å |
| 686 | R | 96.1 | Very high | 93.8 | Very high | 151 Ų | 151 | 78.7 Ų | 78.7 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 179.1 | -77 | 177.4 | -69.1 | 151.4 | -1.1 | 112.2 | S682 L683 A689 Q690 | S682-R686 VanDerWaalsContact O-CG 3.31Å; S682-R686 WeakPolarHBondContact O-CG 3.39Å; S682-R686 PolarHBondContact O-N 3.47Å; S682-R686 PolarHBondContact O-NE 2.77Å; L683-R686 PolarHBondContact O-N 3.48Å; R686-A689 PolarHBondContact O-N 2.71Å; R686-Q690 PolarHBondContact O-N 3.46Å |
| 687 | V | 96.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 78.2 Ų | 78.2 | 10% | 0.097 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | T658 F661 I662 L683 A689 Q690 L691 | T658-V687 HydrophobicContact CG2-CG1 4.04Å; F661-V687 HydrophobicContact CD1-CB 4.27Å; F661-V687 HydrophobicContact CD1-CG1 3.87Å; F661-V687 HydrophobicContact CD1-CG2 3.97Å; F661-V687 HydrophobicContact CE1-CB 4.47Å; F661-V687 HydrophobicContact CE1-CG2 3.87Å; I662-V687 HydrophobicContact CD1-CG1 4.05Å; I662-V687 HydrophobicContact CG1-CB 4.5Å; I662-V687 HydrophobicContact CG1-CG1 3.91Å; L683-V687 HydrophobicContact CD1-CG2 4.26Å; L683-V687 WeakPolarHBondContact O-CG2 3.45Å; L683-V687 PolarHBondContact O-N 3.26Å; V687-A689 VanDerWaalsContact C-N 3.31Å; V687-A689 PolarHBondContact O-N 2.79Å; V687-Q690 PolarHBondContact O-N 3.46Å; V687-L691 WeakPolarHBondContact O-CB 3.42Å; V687-L691 PolarHBondContact O-N 3.31Å |
| 688 | R | 94.7 | Very high | 94.7 | Very high | 78 Ų | 78 | 76.5 Ų | 76.5 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 171.3 | -75 | 174.6 | -179.4 | 147.1 | 2.8 | 112.2 | I662 E666 Q684 E685 R692 | I662-R688 HydrophobicContact CD1-CG 3.78Å; E666-R688 IonicContact OE1-CZ 2.67Å; E666-R688 IonicContact OE1-NH2 3.9Å; E666-R688 PolarHBondContact OE1-NH2 3.44Å; Q684-R688 VanDerWaalsContact O-CB 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.34Å; Q684-R688 VanDerWaalsContact O-CG 3.24Å; Q684-R688 WeakPolarHBondContact O-CG 3.18Å; Q684-R688 PolarHBondContact O-N 2.95Å; Q684-R688 VanDerWaalsContact OE1-CZ 3.29Å; E685-R688 PolarHBondContact O-N 2.92Å; R688-R692 VanDerWaalsContact O-CG 3.26Å; R688-R692 WeakPolarHBondContact O-CG 3.2Å; R688-R692 PolarHBondContact O-N 3.44Å |
| 689 | A | 96.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 75.7 Ų | 75.7 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | E685 R686 V687 R692 A693 | E685-A689 WeakPolarHBondContact O-CB 3.48Å; E685-A689 PolarHBondContact O-N 2.89Å; R686-A689 PolarHBondContact O-N 2.71Å; V687-A689 VanDerWaalsContact C-N 3.31Å; V687-A689 PolarHBondContact O-N 2.79Å; A689-R692 PolarHBondContact O-N 3.17Å; A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.21Å |
| 690 | Q | 96.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 71.7 Ų | 71.7 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 174 | -175.5 | 179.9 | -11.3 | 0 | 0 | 112.1 | T658 R686 V687 A693 A694 | T658-Q690 HydrophobicContact CG2-CG 4.13Å; R686-Q690 PolarHBondContact O-N 3.46Å; V687-Q690 PolarHBondContact O-N 3.46Å; Q690-A693 PolarHBondContact O-N 3.09Å; Q690-A694 WeakPolarHBondContact O-CB 3.45Å; Q690-A694 PolarHBondContact O-N 3.17Å |
| 691 | L | 97.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.8 | 174.2 | 59.1 | 0 | 0 | 0 | 111.5 | V655 I662 V687 A694 L695 | V655-L691 HydrophobicContact CB-CD1 4.29Å; V655-L691 HydrophobicContact CG1-CD1 3.95Å; V655-L691 HydrophobicContact CG2-CD1 4.23Å; I662-L691 HydrophobicContact CD1-CD2 3.9Å; V687-L691 WeakPolarHBondContact O-CB 3.42Å; V687-L691 PolarHBondContact O-N 3.31Å; L691-A694 PolarHBondContact O-N 3.47Å; L691-L695 HydrophobicContact CD1-CD1 4.05Å; L691-L695 HydrophobicContact CD1-CG 4.27Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 3.27Å |
| 692 | R | 97.5 | Very high | 95.6 | Very high | 143 Ų | 143 | 67.1 Ų | 67.1 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.5 | -72.3 | 169.8 | -169.5 | 137.9 | -3.4 | 111.6 | R688 A689 A694 L695 Y696 | R688-R692 VanDerWaalsContact O-CG 3.26Å; R688-R692 WeakPolarHBondContact O-CG 3.2Å; R688-R692 PolarHBondContact O-N 3.44Å; A689-R692 PolarHBondContact O-N 3.17Å; R692-A694 VanDerWaalsContact C-N 3.35Å; R692-A694 PolarHBondContact O-N 2.91Å; R692-L695 PolarHBondContact O-N 3.31Å; R692-L695 VanDerWaalsContact O-N 3.17Å; R692-Y696 HydrophobicContact CB-CD2 4.45Å; R692-Y696 HydrophobicContact CB-CE2 4.25Å; R692-Y696 WeakPolarHBondContact O-CD2 3.34Å; R692-Y696 PolarHBondContact O-N 3.1Å |
| 693 | A | 97.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 71.8 Ų | 71.8 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A689 Q690 L695 Y696 D697 | A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.21Å; Q690-A693 PolarHBondContact O-N 3.09Å; A693-L695 VanDerWaalsContact C-N 3.28Å; A693-L695 PolarHBondContact O-N 2.85Å; A693-Y696 PolarHBondContact O-N 3.08Å; A693-Y696 VanDerWaalsContact O-N 3.16Å; A693-D697 PolarHBondContact O-N 2.87Å |
| 694 | A | 97.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 75 Ų | 75 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L651 T654 V655 Q690 L691 R692 I698 | L651-A694 HydrophobicContact CD1-CB 3.84Å; L651-A694 WeakPolarHBondContact CG-O 3.18Å; T654-A694 HydrophobicContact CG2-CB 4.18Å; V655-A694 HydrophobicContact CG2-CB 3.74Å; Q690-A694 WeakPolarHBondContact O-CB 3.45Å; Q690-A694 PolarHBondContact O-N 3.17Å; L691-A694 PolarHBondContact O-N 3.47Å; R692-A694 VanDerWaalsContact C-N 3.35Å; R692-A694 PolarHBondContact O-N 2.91Å; A694-I698 WeakPolarHBondContact O-CG1 3.37Å; A694-I698 PolarHBondContact O-N 3.33Å |
| 695 | L | 96.5 | Very high | 95.5 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 45% | 0.445 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.4 | -37.6 | 173.5 | -69.6 | 168.5 | 0 | 0 | 0 | 112.5 | V655 L691 R692 A693 I698 H699 | V655-L695 HydrophobicContact CG1-CD2 4.12Å; V655-L695 HydrophobicContact CG2-CD2 4.02Å; V655-L695 HydrophobicContact CG2-CG 4.24Å; L691-L695 HydrophobicContact CD1-CD1 4.05Å; L691-L695 HydrophobicContact CD1-CG 4.27Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 3.27Å; R692-L695 PolarHBondContact O-N 3.31Å; R692-L695 VanDerWaalsContact O-N 3.17Å; A693-L695 VanDerWaalsContact C-N 3.28Å; A693-L695 PolarHBondContact O-N 2.85Å; L695-I698 PolarHBondContact O-N 2.81Å; L695-H699 PolarHBondContact O-N 3.27Å |
| 696 | Y | 97.4 | Very high | 95.5 | Very high | 161 Ų | 161 | 73 Ų | 73 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 172.9 | -73.6 | -59.2 | 0 | 0 | 0 | 111.9 | R692 A693 I698 H699 E700 | R692-Y696 HydrophobicContact CB-CD2 4.45Å; R692-Y696 HydrophobicContact CB-CE2 4.25Å; R692-Y696 WeakPolarHBondContact O-CD2 3.34Å; R692-Y696 PolarHBondContact O-N 3.1Å; A693-Y696 PolarHBondContact O-N 3.08Å; A693-Y696 VanDerWaalsContact O-N 3.16Å; Y696-I698 PolarHBondContact O-N 3.4Å; Y696-H699 CarbonylContact O-C 3.59Å; Y696-H699 WeakPolarHBondContact O-CA 3.46Å; Y696-H699 WeakPolarHBondContact O-CB 3.32Å; Y696-H699 PolarHBondContact O-N 3.45Å; Y696-E700 WeakPolarHBondContact O-CB 3.47Å; Y696-E700 PolarHBondContact O-N 2.95Å |
| 697 | D | 96.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -31.3 | 172.9 | -78.6 | 3.9 | 0 | 0 | 0 | 112.2 | L651 A693 I701 | L651-D697 HydrophobicContact CD1-CB 3.88Å; L651-D697 HydrophobicContact CD2-CB 3.45Å; L651-D697 VanDerWaalsContact CD2-CB 3.45Å; L651-D697 HydrophobicContact CG-CB 4.24Å; A693-D697 PolarHBondContact O-N 2.87Å; D697-I701 WeakPolarHBondContact O-CD1 3.32Å; D697-I701 WeakPolarHBondContact O-CG1 3.47Å; D697-I701 PolarHBondContact O-N 3.41Å |
| 698 | I | 95.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 80.3 Ų | 80.3 | 18% | 0.179 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.5 | -44.6 | 172.4 | -66.4 | 172 | 0 | 0 | 0 | 109.9 | L648 L651 V655 A694 L695 Y696 I701 F702 | L648-I698 HydrophobicContact CD2-CB 4.5Å; L648-I698 HydrophobicContact CD2-CG1 4.01Å; L648-I698 HydrophobicContact CD2-CG2 4.3Å; L651-I698 HydrophobicContact CB-CG1 4.48Å; L651-I698 HydrophobicContact CD2-CB 4.38Å; L651-I698 HydrophobicContact CD2-CD1 4.47Å; L651-I698 HydrophobicContact CD2-CG1 3.44Å; L651-I698 VanDerWaalsContact CD2-CG1 3.44Å; L651-I698 HydrophobicContact CG-CD1 4.27Å; L651-I698 HydrophobicContact CG-CG1 3.74Å; V655-I698 HydrophobicContact CG2-CD1 4.11Å; A694-I698 WeakPolarHBondContact O-CG1 3.37Å; A694-I698 PolarHBondContact O-N 3.33Å; L695-I698 PolarHBondContact O-N 2.81Å; Y696-I698 PolarHBondContact O-N 3.4Å; I698-I701 PolarHBondContact O-N 3.31Å; I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 4.22Å; I698-F702 WeakPolarHBondContact O-CD2 3.41Å; I698-F702 PolarHBondContact O-N 2.92Å |
| 699 | H | 95.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 80.3 Ų | 80.3 | 38% | 0.384 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.1 | -176.1 | -90.9 | 0 | 0 | 0 | 111.3 | L695 Y696 I701 F702 F703 E704 | L695-H699 PolarHBondContact O-N 3.27Å; Y696-H699 CarbonylContact O-C 3.59Å; Y696-H699 WeakPolarHBondContact O-CA 3.46Å; Y696-H699 WeakPolarHBondContact O-CB 3.32Å; Y696-H699 PolarHBondContact O-N 3.45Å; H699-I701 VanDerWaalsContact C-N 3.34Å; H699-I701 PolarHBondContact O-N 3.29Å; H699-F702 PolarHBondContact O-N 3.41Å; H699-F702 VanDerWaalsContact O-N 3.14Å; H699-F703 HydrophobicContact CB-CD2 4.5Å; H699-F703 AromaticContact CD2-CD2 3.36Å; H699-F703 WeakPolarHBondContact CD2-CD2 3.46Å; H699-F703 AromaticContact CD2-CE2 3.96Å; H699-F703 AromaticContact CG-CD2 3.9Å; H699-F703 AromaticContact NE2-CD2 3.65Å; H699-F703 AromaticContact NE2-CG 3.86Å; H699-F703 WeakPolarHBondContact O-CB 3.49Å; H699-F703 WeakPolarHBondContact O-CD2 3.33Å; H699-F703 PolarHBondContact O-N 2.86Å; H699-E704 IonicContact CE1-OE1 2.65Å; H699-E704 PolarHBondContact CE1-OE1 3.27Å; H699-E704 IonicContact CG-OE1 2.91Å; H699-E704 IonicContact ND1-OE1 3.36Å; H699-E704 PolarHBondContact ND1-OE1 3.47Å |
| 700 | E | 95.5 | Very high | 94.9 | Very high | 70 Ų | 70 | 81 Ų | 81 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -47.1 | -56.3 | 174.7 | -170.7 | -137.4 | -171 | 0 | 0 | 110.2 | K647 Y696 F702 E704 I705 | K647-E700 IonicContact NZ-OE2 2.9Å; K647-E700 PolarHBondContact NZ-OE2 2.86Å; Y696-E700 WeakPolarHBondContact O-CB 3.47Å; Y696-E700 PolarHBondContact O-N 2.95Å; E700-F702 VanDerWaalsContact C-N 3.32Å; E700-F702 PolarHBondContact O-N 3.42Å; E700-E704 PolarHBondContact O-N 3.27Å; E700-I705 HydrophobicContact CG-CD1 4.29Å; E700-I705 HydrophobicContact CG-CG1 3.94Å; E700-I705 WeakPolarHBondContact O-CG1 3.2Å; E700-I705 PolarHBondContact O-N 2.97Å |
| 701 | I | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -61.2 | -35.2 | -176.4 | -63.1 | 159.9 | 0 | 0 | 0 | 113.3 | L642 K647 L648 L651 D697 I698 H699 I705 R710 | L642-I701 HydrophobicContact CD2-CG2 3.78Å; L642-I701 HydrophobicContact CG-CG2 4.23Å; K647-I701 HydrophobicContact CD-CD1 3.57Å; K647-I701 HydrophobicContact CD-CG1 4.2Å; K647-I701 HydrophobicContact CG-CD1 4.13Å; L648-I701 HydrophobicContact CD1-CG2 3.83Å; L648-I701 HydrophobicContact CD2-CD1 3.82Å; L648-I701 HydrophobicContact CG-CD1 3.88Å; L648-I701 HydrophobicContact CG-CG2 4.35Å; L651-I701 HydrophobicContact CD2-CD1 4.06Å; D697-I701 WeakPolarHBondContact O-CD1 3.32Å; D697-I701 WeakPolarHBondContact O-CG1 3.47Å; D697-I701 PolarHBondContact O-N 3.41Å; I698-I701 PolarHBondContact O-N 3.31Å; H699-I701 VanDerWaalsContact C-N 3.34Å; H699-I701 PolarHBondContact O-N 3.29Å; I701-I705 HydrophobicContact CG1-CD1 4.1Å; I701-R710 WeakPolarHBondContact O-CD 3.02Å; I701-R710 WeakPolarHBondContact O-CG 3.24Å |
| 702 | F | 93.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 80.8 Ų | 80.8 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -93.9 | -28 | -175.4 | -80 | -72.5 | 0 | 0 | 0 | 114.7 | T639 L642 L643 L648 I698 H699 E700 R710 | T639-F702 HydrophobicContact CG2-CE1 3.97Å; L642-F702 HydrophobicContact CB-CE1 4.23Å; L642-F702 HydrophobicContact CB-CZ 4.25Å; L642-F702 HydrophobicContact CD2-CD1 4.08Å; L642-F702 HydrophobicContact CD2-CE1 3.63Å; L642-F702 HydrophobicContact CD2-CZ 4Å; L642-F702 HydrophobicContact CG-CE1 4.39Å; L642-F702 HydrophobicContact CG-CZ 4.39Å; L643-F702 HydrophobicContact CD2-CE2 3.78Å; L643-F702 HydrophobicContact CD2-CZ 3.56Å; L643-F702 HydrophobicContact CG-CZ 3.81Å; L648-F702 HydrophobicContact CD1-CE2 3.56Å; L648-F702 HydrophobicContact CD1-CZ 3.64Å; L648-F702 HydrophobicContact CD2-CE2 3.84Å; L648-F702 HydrophobicContact CG-CE2 4.39Å; I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 4.22Å; I698-F702 WeakPolarHBondContact O-CD2 3.41Å; I698-F702 PolarHBondContact O-N 2.92Å; H699-F702 PolarHBondContact O-N 3.41Å; H699-F702 VanDerWaalsContact O-N 3.14Å; E700-F702 VanDerWaalsContact C-N 3.32Å; E700-F702 PolarHBondContact O-N 3.42Å; F702-R710 VanDerWaalsContact O-CZ 3.26Å; F702-R710 PolarHBondContact O-NH1 3.43Å; F702-R710 PolarHBondContact O-NH2 3.33Å |
| 703 | F | 92.7 | Very high | 94.3 | Very high | 147 Ų | 147 | 75.7 Ų | 75.7 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | I | π-helix | trans | -118.6 | -38.7 | -170.2 | -59.1 | -76.3 | 0 | 0 | 0 | 113 | H699 | H699-F703 HydrophobicContact CB-CD2 4.5Å; H699-F703 AromaticContact CD2-CD2 3.36Å; H699-F703 WeakPolarHBondContact CD2-CD2 3.46Å; H699-F703 AromaticContact CD2-CE2 3.96Å; H699-F703 AromaticContact CG-CD2 3.9Å; H699-F703 AromaticContact NE2-CD2 3.65Å; H699-F703 AromaticContact NE2-CG 3.86Å; H699-F703 WeakPolarHBondContact O-CB 3.49Å; H699-F703 WeakPolarHBondContact O-CD2 3.33Å; H699-F703 PolarHBondContact O-N 2.86Å |
| 704 | E | 93.1 | Very high | 94 | Very high | 123 Ų | 123 | 74 Ų | 74 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | I | π-helix | trans | -96.9 | -45.1 | -172.9 | -60.8 | 166.6 | -127.1 | 0 | 0 | 112.8 | H699 E700 | H699-E704 IonicContact CE1-OE1 2.65Å; H699-E704 PolarHBondContact CE1-OE1 3.27Å; H699-E704 IonicContact CG-OE1 2.91Å; H699-E704 IonicContact ND1-OE1 3.36Å; H699-E704 PolarHBondContact ND1-OE1 3.47Å; E700-E704 PolarHBondContact O-N 3.27Å |
| 705 | I | 92.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -59.5 | 126.9 | 178.9 | -67 | -169.1 | 0 | 0 | 0 | 109.5 | E700 I701 D709 R710 | E700-I705 HydrophobicContact CG-CD1 4.29Å; E700-I705 HydrophobicContact CG-CG1 3.94Å; E700-I705 WeakPolarHBondContact O-CG1 3.2Å; E700-I705 PolarHBondContact O-N 2.97Å; I701-I705 HydrophobicContact CG1-CD1 4.1Å; I705-D709 HydrophobicContact CG2-CB 3.61Å; I705-R710 HydrophobicContact CB-CG 4.4Å; I705-R710 HydrophobicContact CG2-CG 3.97Å; I705-R710 PolarHBondContact O-NE 3.46Å; I705-R710 PolarHBondContact O-NH2 3.47Å |
| 706 | P | 93.8 | Very high | 93.5 | Very high | 70 Ų | 70 | 78.9 Ų | 78.9 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | trans | -67.7 | 161.1 | -176.8 | 28.7 | -36.1 | 0 | 0 | 0 | 112.1 | R708 D709 R710 | P706-R708 VanDerWaalsContact C-N 3.25Å; P706-R708 PolarHBondContact O-N 2.88Å; P706-D709 HydrophobicContact CG-CB 4.22Å; P706-D709 VanDerWaalsContact CG-OD2 3.23Å; P706-D709 WeakPolarHBondContact CG-OD2 3.47Å; P706-D709 PolarHBondContact O-N 3.08Å; P706-R710 PolarHBondContact O-N 2.94Å; P706-R710 VanDerWaalsContact O-N 3.14Å | ||
| 707 | L | 90.8 | Very high | 93.3 | Very high | 116 Ų | 116 | 72 Ų | 72 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.4 | -37.8 | -175.6 | 178.9 | 61.1 | 0 | 0 | 0 | 113.1 | D709 L711 | L707-D709 VanDerWaalsContact C-N 3.28Å; L707-D709 PolarHBondContact O-N 3.49Å; L707-L711 HydrophobicContact CD1-CD1 4.12Å; L707-L711 HydrophobicContact CD1-CG 4.17Å; L707-L711 HydrophobicContact CG-CD1 3.98Å; L707-L711 HydrophobicContact CG-CG 4.47Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 VanDerWaalsContact O-CG 3.26Å; L707-L711 WeakPolarHBondContact O-CG 3.49Å; L707-L711 PolarHBondContact O-N 2.82Å |
| 708 | R | 93.1 | Very high | 92.9 | Very high | 204 Ų | 204 | 74.1 Ų | 74.1 | 77% | 0.77 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -54.4 | -45.5 | 176 | 174.1 | 179 | -84.8 | -85.6 | 2.3 | 111.6 | P706 L711 A712 | P706-R708 VanDerWaalsContact C-N 3.25Å; P706-R708 PolarHBondContact O-N 2.88Å; R708-L711 PolarHBondContact O-N 3.34Å; R708-A712 PolarHBondContact O-N 3.29Å |
| 709 | D | 93.5 | Very high | 92.7 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -85.1 | -31 | -168.9 | -59.5 | -14.8 | 0 | 0 | 0 | 110.9 | I705 P706 L707 L711 A712 L713 | I705-D709 HydrophobicContact CG2-CB 3.61Å; P706-D709 HydrophobicContact CG-CB 4.22Å; P706-D709 VanDerWaalsContact CG-OD2 3.23Å; P706-D709 WeakPolarHBondContact CG-OD2 3.47Å; P706-D709 PolarHBondContact O-N 3.08Å; L707-D709 VanDerWaalsContact C-N 3.28Å; L707-D709 PolarHBondContact O-N 3.49Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3.47Å; D709-A712 PolarHBondContact O-N 2.98Å; D709-L713 WeakPolarHBondContact O-CB 3.32Å; D709-L713 PolarHBondContact O-N 2.9Å |
| 710 | R | 93.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 163.1 | -78.3 | -178.2 | -105.3 | -163.5 | -17 | 112.5 | L642 I701 F702 I705 P706 L714 | L642-R710 HydrophobicContact CD2-CG 4.1Å; I701-R710 WeakPolarHBondContact O-CD 3.02Å; I701-R710 WeakPolarHBondContact O-CG 3.24Å; F702-R710 VanDerWaalsContact O-CZ 3.26Å; F702-R710 PolarHBondContact O-NH1 3.43Å; F702-R710 PolarHBondContact O-NH2 3.33Å; I705-R710 HydrophobicContact CB-CG 4.4Å; I705-R710 HydrophobicContact CG2-CG 3.97Å; I705-R710 PolarHBondContact O-NE 3.46Å; I705-R710 PolarHBondContact O-NH2 3.47Å; P706-R710 PolarHBondContact O-N 2.94Å; P706-R710 VanDerWaalsContact O-N 3.14Å; R710-L714 WeakPolarHBondContact O-CG 3.38Å; R710-L714 PolarHBondContact O-N 3.29Å; R710-L714 VanDerWaalsContact O-N 3.13Å |
| 711 | L | 92.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 76.5 Ų | 76.5 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.3 | -36.7 | 176 | -69.8 | 170.7 | 0 | 0 | 0 | 111.8 | L638 L707 R708 D709 L714 Q715 | L638-L711 HydrophobicContact CD1-CD2 4.48Å; L638-L711 HydrophobicContact CD2-CD2 4.44Å; L707-L711 HydrophobicContact CD1-CD1 4.12Å; L707-L711 HydrophobicContact CD1-CG 4.17Å; L707-L711 HydrophobicContact CG-CD1 3.98Å; L707-L711 HydrophobicContact CG-CG 4.47Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 VanDerWaalsContact O-CG 3.26Å; L707-L711 WeakPolarHBondContact O-CG 3.49Å; L707-L711 PolarHBondContact O-N 2.82Å; R708-L711 PolarHBondContact O-N 3.34Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3.47Å; L711-L714 HydrophobicContact CD2-CD1 4.37Å; L711-L714 PolarHBondContact O-N 2.92Å; L711-Q715 PolarHBondContact O-N 3.08Å |
| 712 | A | 93.2 | Very high | 91.6 | Very high | 52 Ų | 52 | 79.3 Ų | 79.3 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R708 D709 L714 Q715 Q716 | R708-A712 PolarHBondContact O-N 3.29Å; D709-A712 PolarHBondContact O-N 2.98Å; A712-L714 VanDerWaalsContact C-N 3.35Å; A712-L714 PolarHBondContact O-N 2.93Å; A712-Q715 WeakPolarHBondContact O-CB 3.44Å; A712-Q715 PolarHBondContact O-N 3.4Å; A712-Q715 VanDerWaalsContact O-N 3.11Å; A712-Q716 PolarHBondContact O-N 2.84Å |
| 713 | L | 92.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 81.8 Ų | 81.8 | 18% | 0.183 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.1 | -168.6 | 155.3 | 0 | 0 | 0 | 111.6 | L642 T645 K647 D709 Q715 D717 | L642-L713 HydrophobicContact CD1-CD2 4.04Å; T645-L713 HydrophobicContact CG2-CD2 3.59Å; K647-L713 HydrophobicContact CD-CD1 4.27Å; D709-L713 WeakPolarHBondContact O-CB 3.32Å; D709-L713 PolarHBondContact O-N 2.9Å; L713-Q715 VanDerWaalsContact C-N 3.33Å; L713-D717 PolarHBondContact O-N 3.36Å |
| 714 | L | 92.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 80 Ų | 80 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 171.5 | -73.5 | 173.7 | 0 | 0 | 0 | 113.2 | L638 R641 L642 T645 R710 L711 A712 R718 | L638-L714 HydrophobicContact CD2-CD1 3.9Å; R641-L714 HydrophobicContact CB-CD2 3.83Å; R641-L714 HydrophobicContact CG-CD2 3.7Å; L642-L714 HydrophobicContact CB-CD2 4.4Å; L642-L714 HydrophobicContact CD1-CD1 4.21Å; L642-L714 HydrophobicContact CD1-CD2 3.87Å; L642-L714 HydrophobicContact CD1-CG 3.69Å; T645-L714 HydrophobicContact CG2-CD2 3.81Å; R710-L714 WeakPolarHBondContact O-CG 3.38Å; R710-L714 PolarHBondContact O-N 3.29Å; R710-L714 VanDerWaalsContact O-N 3.13Å; L711-L714 HydrophobicContact CD2-CD1 4.37Å; L711-L714 PolarHBondContact O-N 2.92Å; A712-L714 VanDerWaalsContact C-N 3.35Å; A712-L714 PolarHBondContact O-N 2.93Å; L714-R718 WeakPolarHBondContact O-CG 3.27Å; L714-R718 PolarHBondContact O-N 2.88Å |
| 715 | Q | 91.9 | Very high | 91 | Very high | 78 Ų | 78 | 81.5 Ų | 81.5 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | 176.1 | 179.8 | 56.9 | 24.5 | 0 | 0 | 111.5 | L711 A712 L713 D717 R718 E719 | L711-Q715 PolarHBondContact O-N 3.08Å; A712-Q715 WeakPolarHBondContact O-CB 3.44Å; A712-Q715 PolarHBondContact O-N 3.4Å; A712-Q715 VanDerWaalsContact O-N 3.11Å; L713-Q715 VanDerWaalsContact C-N 3.33Å; Q715-D717 VanDerWaalsContact C-N 3.29Å; Q715-D717 PolarHBondContact O-N 3.19Å; Q715-R718 WeakPolarHBondContact O-CA 3.41Å; Q715-R718 VanDerWaalsContact O-CB 3.31Å; Q715-R718 WeakPolarHBondContact O-CB 3.43Å; Q715-R718 PolarHBondContact O-N 2.93Å; Q715-R718 VanDerWaalsContact OE1-CD 3.32Å; Q715-E719 WeakPolarHBondContact CG-OE1 3.49Å; Q715-E719 PolarHBondContact NE2-OE1 3.03Å; Q715-E719 PolarHBondContact O-N 3.19Å |
| 716 | Q | 91.4 | Very high | 90.8 | Very high | 113 Ų | 113 | 85.7 Ų | 85.7 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 173.7 | -169.5 | -177.3 | 3.4 | 0 | 0 | 112 | A712 R718 E719 L720 | A712-Q716 PolarHBondContact O-N 2.84Å; Q716-R718 VanDerWaalsContact C-N 3.32Å; Q716-R718 PolarHBondContact O-N 3.12Å; Q716-E719 PolarHBondContact O-N 3.47Å; Q716-L720 HydrophobicContact CG-CD1 4.08Å; Q716-L720 HydrophobicContact CG-CG 4.41Å; Q716-L720 WeakPolarHBondContact O-CB 3.47Å; Q716-L720 VanDerWaalsContact O-CG 3.32Å; Q716-L720 WeakPolarHBondContact O-CG 3.47Å; Q716-L720 PolarHBondContact O-N 3.13Å |
| 717 | D | 91.5 | Very high | 90.5 | Very high | 16 Ų | 16 | 88.1 Ų | 88.1 | 9% | 0.086 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.2 | -30.8 | 173.4 | 176.5 | 84.8 | 0 | 0 | 0 | 113 | T645 L713 Q715 R721 | T645-D717 WeakPolarHBondContact CA-OD1 3.4Å; T645-D717 HydrophobicContact CG2-CB 3.96Å; L713-D717 PolarHBondContact O-N 3.36Å; Q715-D717 VanDerWaalsContact C-N 3.29Å; Q715-D717 PolarHBondContact O-N 3.19Å; D717-R721 WeakPolarHBondContact O-CB 3.31Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.43Å; D717-R721 VanDerWaalsContact O-CZ 3.27Å; D717-R721 PolarHBondContact O-N 3.1Å; D717-R721 PolarHBondContact O-NE 3.23Å; D717-R721 VanDerWaalsContact O-NE 3.11Å; D717-R721 PolarHBondContact O-NH2 3.01Å; D717-R721 IonicContact OD1-NE 2.64Å; D717-R721 IonicContact OD2-CZ 3.94Å; D717-R721 IonicContact OD2-NE 2.71Å; D717-R721 PolarHBondContact OD2-NE 3.09Å; D717-R721 IonicContact OD2-NH2 2.7Å; D717-R721 PolarHBondContact OD2-NH2 2.93Å |
| 718 | R | 88.3 | Confident | 90.4 | Very high | 118 Ų | 118 | 86.5 Ų | 86.5 | 45% | 0.445 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 171 | -68.4 | 162.7 | 167.9 | -171.1 | -7.7 | 111 | L714 Q715 Q716 R721 A722 | L714-R718 WeakPolarHBondContact O-CG 3.27Å; L714-R718 PolarHBondContact O-N 2.88Å; Q715-R718 WeakPolarHBondContact O-CA 3.41Å; Q715-R718 VanDerWaalsContact O-CB 3.31Å; Q715-R718 WeakPolarHBondContact O-CB 3.43Å; Q715-R718 PolarHBondContact O-N 2.93Å; Q715-R718 VanDerWaalsContact OE1-CD 3.32Å; Q716-R718 VanDerWaalsContact C-N 3.32Å; Q716-R718 PolarHBondContact O-N 3.12Å; R718-R721 PolarHBondContact O-N 3.3Å; R718-A722 PolarHBondContact O-N 3.24Å |
| 719 | E | 91.4 | Very high | 90.1 | Very high | 106 Ų | 106 | 82 Ų | 82 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | -179.5 | -71.2 | 163 | -164.1 | 0 | 0 | 111.8 | Q715 Q716 R721 A722 E723 | Q715-E719 WeakPolarHBondContact CG-OE1 3.49Å; Q715-E719 PolarHBondContact NE2-OE1 3.03Å; Q715-E719 PolarHBondContact O-N 3.19Å; Q716-E719 PolarHBondContact O-N 3.47Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 2.85Å; E719-A722 WeakPolarHBondContact O-CB 3.38Å; E719-A722 PolarHBondContact O-N 3.02Å; E719-E723 PolarHBondContact O-N 2.94Å |
| 720 | L | 88.5 | Confident | 89.7 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 175.9 | -72.6 | 170.6 | 0 | 0 | 0 | 112.6 | Q716 R724 | Q716-L720 HydrophobicContact CG-CD1 4.08Å; Q716-L720 HydrophobicContact CG-CG 4.41Å; Q716-L720 WeakPolarHBondContact O-CB 3.47Å; Q716-L720 VanDerWaalsContact O-CG 3.32Å; Q716-L720 WeakPolarHBondContact O-CG 3.47Å; Q716-L720 PolarHBondContact O-N 3.13Å; L720-R724 WeakPolarHBondContact O-CB 3.43Å; L720-R724 WeakPolarHBondContact O-CD 3.47Å; L720-R724 WeakPolarHBondContact O-CG 3.31Å; L720-R724 PolarHBondContact O-N 3.25Å |
| 721 | R | 85.6 | Confident | 89.2 | Confident | 83 Ų | 83 | 87 Ų | 87 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.6 | -32.1 | 174.1 | -76.9 | -174.7 | -75.1 | 89.4 | 1.1 | 112.9 | D717 R718 E719 K725 | D717-R721 WeakPolarHBondContact O-CB 3.31Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.43Å; D717-R721 VanDerWaalsContact O-CZ 3.27Å; D717-R721 PolarHBondContact O-N 3.1Å; D717-R721 PolarHBondContact O-NE 3.23Å; D717-R721 VanDerWaalsContact O-NE 3.11Å; D717-R721 PolarHBondContact O-NH2 3.01Å; D717-R721 IonicContact OD1-NE 2.64Å; D717-R721 IonicContact OD2-CZ 3.94Å; D717-R721 IonicContact OD2-NE 2.71Å; D717-R721 PolarHBondContact OD2-NE 3.09Å; D717-R721 IonicContact OD2-NH2 2.7Å; D717-R721 PolarHBondContact OD2-NH2 2.93Å; R718-R721 PolarHBondContact O-N 3.3Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 2.85Å; R721-K725 WeakPolarHBondContact O-CG 3.38Å; R721-K725 PolarHBondContact O-N 3.31Å |
| 722 | A | 87.3 | Confident | 88.5 | Confident | 59 Ų | 59 | 87 Ų | 87 | 49% | 0.488 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R718 E719 R724 K725 L726 | R718-A722 PolarHBondContact O-N 3.24Å; E719-A722 WeakPolarHBondContact O-CB 3.38Å; E719-A722 PolarHBondContact O-N 3.02Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.2Å; A722-K725 PolarHBondContact O-N 2.64Å; A722-L726 WeakPolarHBondContact O-CB 3.5Å; A722-L726 PolarHBondContact O-N 3.39Å |
| 723 | E | 89.1 | Confident | 87.5 | Confident | 85 Ų | 85 | 92 Ų | 92 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.1 | -165 | -161.3 | 155.8 | 0 | 0 | 111.5 | E719 L726 R727 | E719-E723 PolarHBondContact O-N 2.94Å; E723-L726 PolarHBondContact O-N 2.96Å; E723-R727 WeakPolarHBondContact O-CB 3.31Å; E723-R727 VanDerWaalsContact O-CG 3.32Å; E723-R727 WeakPolarHBondContact O-CG 3.24Å; E723-R727 PolarHBondContact O-N 2.89Å; E723-R727 IonicContact OE1-CZ 3.44Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 3.09Å; E723-R727 IonicContact OE1-NH2 3.35Å; E723-R727 PolarHBondContact OE1-NH2 3.4Å |
| 724 | R | 90.1 | Very high | 85.7 | Confident | 109 Ų | 109 | 91.9 Ų | 91.9 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -52.1 | 174.5 | -74.6 | 165.4 | -161.3 | -157.7 | 0.5 | 111.6 | E646 L720 A722 L726 R727 D728 | E646-R724 IonicContact OE1-CZ 3.27Å; E646-R724 VanDerWaalsContact OE1-CZ 3.29Å; E646-R724 IonicContact OE1-NH1 3.92Å; E646-R724 PolarHBondContact OE1-NH1 2.89Å; E646-R724 IonicContact OE1-NH2 3.71Å; E646-R724 PolarHBondContact OE1-NH2 3.3Å; E646-R724 IonicContact OE2-CZ 2.96Å; E646-R724 IonicContact OE2-NH1 2.71Å; E646-R724 IonicContact OE2-NH2 3.26Å; E646-R724 PolarHBondContact OE2-NH2 2.91Å; L720-R724 WeakPolarHBondContact O-CB 3.43Å; L720-R724 WeakPolarHBondContact O-CD 3.47Å; L720-R724 WeakPolarHBondContact O-CG 3.31Å; L720-R724 PolarHBondContact O-N 3.25Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.2Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 3.11Å; R724-R727 PolarHBondContact O-N 3.36Å; R724-D728 WeakPolarHBondContact O-CB 3.41Å; R724-D728 PolarHBondContact O-N 2.86Å |
| 725 | K | 87.4 | Confident | 83.8 | Confident | 154 Ų | 154 | 97.1 Ų | 97.1 | 67% | 0.67 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -56.2 | -42 | 175.6 | -77.1 | -174.6 | 172.6 | -165.5 | 0 | 112.4 | R721 A722 D728 L729 | R721-K725 WeakPolarHBondContact O-CG 3.38Å; R721-K725 PolarHBondContact O-N 3.31Å; A722-K725 PolarHBondContact O-N 2.64Å; K725-D728 PolarHBondContact O-N 3.36Å; K725-L729 WeakPolarHBondContact O-CB 3.5Å; K725-L729 VanDerWaalsContact O-CG 3.28Å; K725-L729 WeakPolarHBondContact O-CG 3.48Å; K725-L729 PolarHBondContact O-N 2.85Å |
| 726 | L | 88 | Confident | 82.1 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -48.7 | 177.9 | -163.1 | 165.3 | 0 | 0 | 0 | 110.7 | A722 E723 R724 D728 L729 E730 | A722-L726 WeakPolarHBondContact O-CB 3.5Å; A722-L726 PolarHBondContact O-N 3.39Å; E723-L726 PolarHBondContact O-N 2.96Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 3.11Å; L726-D728 VanDerWaalsContact C-N 3.29Å; L726-D728 PolarHBondContact O-N 2.87Å; L726-L729 PolarHBondContact O-N 3.48Å; L726-E730 WeakPolarHBondContact O-CB 3.33Å; L726-E730 PolarHBondContact O-N 3.42Å |
| 727 | R | 88.6 | Confident | 80.3 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 175.2 | -71 | 178.1 | -179.7 | -68.5 | -1.2 | 113.3 | E723 R724 K731 | E723-R727 WeakPolarHBondContact O-CB 3.31Å; E723-R727 VanDerWaalsContact O-CG 3.32Å; E723-R727 WeakPolarHBondContact O-CG 3.24Å; E723-R727 PolarHBondContact O-N 2.89Å; E723-R727 IonicContact OE1-CZ 3.44Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 3.09Å; E723-R727 IonicContact OE1-NH2 3.35Å; E723-R727 PolarHBondContact OE1-NH2 3.4Å; R724-R727 PolarHBondContact O-N 3.36Å; R727-K731 WeakPolarHBondContact O-CD 3.5Å; R727-K731 WeakPolarHBondContact O-CE 3.4Å; R727-K731 WeakPolarHBondContact O-CG 3.37Å; R727-K731 PolarHBondContact O-N 2.99Å; R727-K731 VanDerWaalsContact O-N 3.08Å |
| 728 | D | 88.2 | Confident | 78.5 | Confident | 82 Ų | 82 | 110.9 Ų | 110.9 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.4 | -35.2 | 178.3 | -65.6 | -29.8 | 0 | 0 | 0 | 111.5 | R724 K725 L726 K731 A732 | R724-D728 WeakPolarHBondContact O-CB 3.41Å; R724-D728 PolarHBondContact O-N 2.86Å; K725-D728 PolarHBondContact O-N 3.36Å; L726-D728 VanDerWaalsContact C-N 3.29Å; L726-D728 PolarHBondContact O-N 2.87Å; D728-K731 PolarHBondContact O-N 3.29Å; D728-K731 IonicContact OD1-NZ 2.76Å; D728-K731 PolarHBondContact OD1-NZ 2.76Å; D728-A732 WeakPolarHBondContact O-CB 3.44Å; D728-A732 PolarHBondContact O-N 3.35Å |
| 729 | L | 87.6 | Confident | 76.9 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -35.2 | 167.7 | -70.4 | 168.3 | 0 | 0 | 0 | 112.2 | K725 L726 K731 A732 K733 | K725-L729 WeakPolarHBondContact O-CB 3.5Å; K725-L729 VanDerWaalsContact O-CG 3.28Å; K725-L729 WeakPolarHBondContact O-CG 3.48Å; K725-L729 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 3.48Å; L729-K731 VanDerWaalsContact C-N 3.34Å; L729-A732 PolarHBondContact O-N 2.66Å; L729-K733 VanDerWaalsContact O-CB 3.28Å; L729-K733 WeakPolarHBondContact O-CB 3.41Å; L729-K733 VanDerWaalsContact O-CG 3.27Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; L729-K733 PolarHBondContact O-N 2.99Å |
| 730 | E | 83.7 | Confident | 75.4 | Confident | 109 Ų | 109 | 110.4 Ų | 110.4 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -35.2 | 173.1 | -172.9 | -169.1 | 179.6 | 0 | 0 | 112.2 | L726 | L726-E730 WeakPolarHBondContact O-CB 3.33Å; L726-E730 PolarHBondContact O-N 3.42Å |
| 731 | K | 84.3 | Confident | 74.1 | Confident | 139 Ų | 139 | 112.9 Ų | 112.9 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73 | -42.6 | 172.4 | -66.9 | 161.5 | -153 | 165.7 | 0 | 112.1 | R727 D728 L729 K733 | R727-K731 WeakPolarHBondContact O-CD 3.5Å; R727-K731 WeakPolarHBondContact O-CE 3.4Å; R727-K731 WeakPolarHBondContact O-CG 3.37Å; R727-K731 PolarHBondContact O-N 2.99Å; R727-K731 VanDerWaalsContact O-N 3.08Å; D728-K731 PolarHBondContact O-N 3.29Å; D728-K731 IonicContact OD1-NZ 2.76Å; D728-K731 PolarHBondContact OD1-NZ 2.76Å; L729-K731 VanDerWaalsContact C-N 3.34Å; K731-K733 VanDerWaalsContact C-N 3.32Å |
| 732 | A | 77.8 | Confident | 73.4 | Confident | 79 Ų | 79 | 112.9 Ų | 112.9 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.3 | -32.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D728 L729 T734 | D728-A732 WeakPolarHBondContact O-CB 3.44Å; D728-A732 PolarHBondContact O-N 3.35Å; L729-A732 PolarHBondContact O-N 2.66Å; A732-T734 PolarHBondContact O-N 2.98Å |
| 733 | K | 71.8 | Confident | 72.4 | Confident | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -74 | 73.6 | 169.5 | -73.6 | -178.7 | 176.5 | -170.1 | 0 | 111.2 | L729 K731 | L729-K733 VanDerWaalsContact O-CB 3.28Å; L729-K733 WeakPolarHBondContact O-CB 3.41Å; L729-K733 VanDerWaalsContact O-CG 3.27Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; L729-K733 PolarHBondContact O-N 2.99Å; K731-K733 VanDerWaalsContact C-N 3.32Å |
| 734 | T | 55.8 | Low | 71.3 | Confident | 33 Ų | 33 | 113.2 Ų | 113.2 | 20% | 0.202 | 60% | 0.598 | C | S | . | * | trans | 160 | 141.8 | 135.1 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | A732 D737 R738 | A732-T734 PolarHBondContact O-N 2.98Å; T734-D737 HydrophobicContact CG2-CB 3.97Å; T734-R738 HydrophobicContact CG2-CB 4.37Å; T734-R738 HydrophobicContact CG2-CG 3.67Å; T734-R738 VanDerWaalsContact OG1-CD 3.29Å; T734-R738 WeakPolarHBondContact OG1-CD 3.43Å; T734-R738 PolarHBondContact OG1-NE 3.21Å; T734-R738 PolarHBondContact OG1-NH1 3.37Å; T734-R738 PolarHBondContact OG1-NH2 2.98Å | ||
| 735 | P | 51.9 | Low | 70.5 | Confident | 124 Ų | 124 | 111.1 Ų | 111.1 | 81% | 0.805 | 60% | 0.597 | S | S | * | * | S | Bend | -114.7 | -19.5 | 92.5 | -10.7 | 29 | 0 | 0 | 0 | 115.1 | R738 | P735-R738 PolarHBondContact O-N 3.2Š| |
| 736 | K | 56.5 | Low | 70 | Confident | 199 Ų | 199 | 107.8 Ų | 107.8 | 87% | 0.865 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -31.2 | -161.5 | -137.1 | 169.8 | -174.9 | 178.2 | 0 | 115.4 | ||
| 737 | D | 53.1 | Low | 69.4 | Low | 144 Ų | 144 | 110.5 Ų | 110.5 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -2.3 | 176.9 | -54.7 | -38.5 | 0 | 0 | 0 | 113.7 | T734 V739 | T734-D737 HydrophobicContact CG2-CB 3.97Å; D737-V739 PolarHBondContact O-N 3.49Å |
| 738 | R | 54 | Low | 68.7 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 58% | 0.577 | 59% | 0.589 | S | S | * | * | trans | -85 | 59.3 | 178.2 | -80.6 | -172.2 | -173.3 | 152.3 | 14.7 | 112.7 | T734 P735 S740 | T734-R738 HydrophobicContact CG2-CB 4.37Å; T734-R738 HydrophobicContact CG2-CG 3.67Å; T734-R738 VanDerWaalsContact OG1-CD 3.29Å; T734-R738 WeakPolarHBondContact OG1-CD 3.43Å; T734-R738 PolarHBondContact OG1-NE 3.21Å; T734-R738 PolarHBondContact OG1-NH1 3.37Å; T734-R738 PolarHBondContact OG1-NH2 2.98Å; P735-R738 PolarHBondContact O-N 3.2Å; R738-S740 WeakPolarHBondContact CG-OG 3.38Å; R738-S740 PolarHBondContact O-N 2.83Å | ||
| 739 | V | 55.1 | Low | 68 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 84% | 0.842 | 59% | 0.589 | S | S | * | * | trans | -80.7 | 28.6 | 145.7 | -161.9 | 0 | 0 | 0 | 0 | 109.8 | D737 L741 | D737-V739 PolarHBondContact O-N 3.49Å; V739-L741 PolarHBondContact O-N 3.36Å | ||
| 740 | S | 59 | Low | 67 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | trans | -77.1 | 112.6 | 168.9 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | R738 S742 | R738-S740 WeakPolarHBondContact CG-OG 3.38Å; R738-S740 PolarHBondContact O-N 2.83Å; S740-S742 PolarHBondContact O-N 2.97Å | ||
| 741 | L | 61.3 | Low | 66.5 | Low | 102 Ų | 102 | 110.4 Ų | 110.4 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | trans | -48.7 | 132.1 | -179.3 | -62.6 | 174.8 | 0 | 0 | 0 | 111.5 | V739 T745 L749 | V739-L741 PolarHBondContact O-N 3.36Å; L741-T745 HydrophobicContact CB-CG2 4.27Å; L741-T745 HydrophobicContact CD1-CG2 4.44Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; L741-L749 HydrophobicContact CD1-CD1 3.74Å | ||
| 742 | S | 70.2 | Confident | 65.7 | Low | 83 Ų | 83 | 111.1 Ų | 111.1 | 58% | 0.58 | 59% | 0.593 | S | S | * | * | trans | -47.6 | 143.8 | -179.4 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | S740 A744 T745 Q746 | S740-S742 PolarHBondContact O-N 2.97Å; S742-A744 CarbonylContact O-C 3.6Å; S742-A744 PolarHBondContact O-N 3.49Å; S742-T745 WeakPolarHBondContact O-CA 3.28Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.39Å; S742-T745 PolarHBondContact O-N 3.22Å; S742-Q746 PolarHBondContact O-N 3.47Å | ||
| 743 | A | 67.6 | Low | 65.2 | Low | 73 Ų | 73 | 113.5 Ų | 113.5 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.1 | -24.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R747 | A743-R747 WeakPolarHBondContact O-CB 3.37Å; A743-R747 WeakPolarHBondContact O-CD 3.4Å; A743-R747 WeakPolarHBondContact O-CG 3.49Å; A743-R747 PolarHBondContact O-N 2.78Å; A743-R747 VanDerWaalsContact O-N 3.14Å |
| 744 | A | 66 | Low | 64.7 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.7 | -44.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S742 R747 S748 | S742-A744 CarbonylContact O-C 3.6Å; S742-A744 PolarHBondContact O-N 3.49Å; A744-R747 PolarHBondContact O-N 2.95Å; A744-S748 WeakPolarHBondContact O-CB 3.37Å; A744-S748 PolarHBondContact O-N 2.94Å |
| 745 | T | 73.4 | Confident | 64.7 | Low | 65 Ų | 65 | 117.6 Ų | 117.6 | 40% | 0.399 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.1 | -44.5 | 176.3 | -45.5 | 0 | 0 | 0 | 0 | 111.6 | L741 S742 S748 L749 | L741-T745 HydrophobicContact CB-CG2 4.27Å; L741-T745 HydrophobicContact CD1-CG2 4.44Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; S742-T745 WeakPolarHBondContact O-CA 3.28Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.39Å; S742-T745 PolarHBondContact O-N 3.22Å; T745-S748 WeakPolarHBondContact O-CB 3.48Å; T745-S748 PolarHBondContact O-N 3.33Å; T745-S748 VanDerWaalsContact O-N 3.16Å; T745-L749 PolarHBondContact O-N 2.82Å |
| 746 | Q | 76.6 | Confident | 64.7 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.7 | -50.1 | 174.5 | -176.4 | 58.8 | 43.6 | 0 | 0 | 110.9 | S742 S748 L749 D750 | S742-Q746 PolarHBondContact O-N 3.47Å; Q746-S748 PolarHBondContact O-N 2.85Å; Q746-L749 CarbonylContact O-C 3.59Å; Q746-L749 WeakPolarHBondContact O-CB 3.21Å; Q746-L749 PolarHBondContact O-N 2.96Å; Q746-D750 PolarHBondContact NE2-OD1 3.35Å; Q746-D750 PolarHBondContact O-N 3.18Å |
| 747 | R | 74.9 | Confident | 64.2 | Low | 175 Ų | 175 | 112.2 Ų | 112.2 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63 | -26.6 | 176.3 | -72.7 | 173.5 | 176.6 | -164.7 | -1.4 | 113.4 | A743 A744 R751 | A743-R747 WeakPolarHBondContact O-CB 3.37Å; A743-R747 WeakPolarHBondContact O-CD 3.4Å; A743-R747 WeakPolarHBondContact O-CG 3.49Å; A743-R747 PolarHBondContact O-N 2.78Å; A743-R747 VanDerWaalsContact O-N 3.14Å; A744-R747 PolarHBondContact O-N 2.95Å; R747-R751 WeakPolarHBondContact O-CB 3.42Å; R747-R751 WeakPolarHBondContact O-CD 3.34Å; R747-R751 WeakPolarHBondContact O-CG 3.37Å; R747-R751 PolarHBondContact O-N 2.85Å; R747-R751 VanDerWaalsContact O-N 3.1Å |
| 748 | S | 73.3 | Confident | 63.6 | Low | 74 Ų | 74 | 109.9 Ų | 109.9 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.4 | -43 | 172.4 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | A744 T745 Q746 R751 K752 | A744-S748 WeakPolarHBondContact O-CB 3.37Å; A744-S748 PolarHBondContact O-N 2.94Å; T745-S748 WeakPolarHBondContact O-CB 3.48Å; T745-S748 PolarHBondContact O-N 3.33Å; T745-S748 VanDerWaalsContact O-N 3.16Å; Q746-S748 PolarHBondContact O-N 2.85Å; S748-R751 PolarHBondContact O-N 2.92Å; S748-K752 WeakPolarHBondContact O-CB 3.41Å; S748-K752 PolarHBondContact O-N 2.87Å |
| 749 | L | 73.6 | Confident | 63.2 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 42% | 0.424 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 172.6 | -74.4 | 171.3 | 0 | 0 | 0 | 112.2 | L741 T745 Q746 R751 K752 K753 | L741-L749 HydrophobicContact CD1-CD1 3.74Å; T745-L749 PolarHBondContact O-N 2.82Å; Q746-L749 CarbonylContact O-C 3.59Å; Q746-L749 WeakPolarHBondContact O-CB 3.21Å; Q746-L749 PolarHBondContact O-N 2.96Å; L749-R751 VanDerWaalsContact C-N 3.32Å; L749-R751 PolarHBondContact O-N 3.5Å; L749-K752 CarbonylContact O-C 3.48Å; L749-K752 PolarHBondContact O-N 3.25Å; L749-K752 VanDerWaalsContact O-N 3.16Å; L749-K753 WeakPolarHBondContact O-CB 3.38Å; L749-K753 PolarHBondContact O-N 3.34Å |
| 750 | D | 68.3 | Low | 62.3 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 39% | 0.39 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.9 | -39.5 | 177.2 | -60.2 | -35 | 0 | 0 | 0 | 111.5 | Q746 K754 | Q746-D750 PolarHBondContact NE2-OD1 3.35Å; Q746-D750 PolarHBondContact O-N 3.18Å; D750-K754 WeakPolarHBondContact O-CG 3.32Å; D750-K754 PolarHBondContact O-N 2.88Å; D750-K754 VanDerWaalsContact O-N 3.09Å |
| 751 | R | 71.4 | Confident | 61.3 | Low | 190 Ų | 190 | 107.2 Ų | 107.2 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -45 | 171.9 | -75.9 | 169 | 177.1 | -168.6 | -3.7 | 111.5 | R747 S748 L749 K753 K754 V755 | R747-R751 WeakPolarHBondContact O-CB 3.42Å; R747-R751 WeakPolarHBondContact O-CD 3.34Å; R747-R751 WeakPolarHBondContact O-CG 3.37Å; R747-R751 PolarHBondContact O-N 2.85Å; R747-R751 VanDerWaalsContact O-N 3.1Å; S748-R751 PolarHBondContact O-N 2.92Å; L749-R751 VanDerWaalsContact C-N 3.32Å; L749-R751 PolarHBondContact O-N 3.5Å; R751-K753 VanDerWaalsContact C-N 3.33Å; R751-K753 PolarHBondContact O-N 2.89Å; R751-K754 PolarHBondContact O-N 3.45Å; R751-V755 WeakPolarHBondContact O-CG2 3.46Å; R751-V755 PolarHBondContact O-N 2.82Å |
| 752 | K | 67.9 | Low | 60.2 | Low | 155 Ų | 155 | 107.3 Ų | 107.3 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -37.6 | 178.1 | -168.3 | 175.8 | -178.5 | -179.2 | 0 | 111.9 | S748 L749 V755 S756 | S748-K752 WeakPolarHBondContact O-CB 3.41Å; S748-K752 PolarHBondContact O-N 2.87Å; L749-K752 CarbonylContact O-C 3.48Å; L749-K752 PolarHBondContact O-N 3.25Å; L749-K752 VanDerWaalsContact O-N 3.16Å; K752-V755 PolarHBondContact O-N 2.96Å; K752-S756 PolarHBondContact O-N 3.15Å; K752-S756 PolarHBondContact O-OG 3.09Å |
| 753 | K | 68.6 | Low | 58.9 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.7 | -44.7 | 175.8 | -171.1 | 177.3 | 177.3 | -175.3 | 0 | 111.7 | L749 R751 V755 S756 E757 | L749-K753 WeakPolarHBondContact O-CB 3.38Å; L749-K753 PolarHBondContact O-N 3.34Å; R751-K753 VanDerWaalsContact C-N 3.33Å; R751-K753 PolarHBondContact O-N 2.89Å; K753-V755 VanDerWaalsContact C-N 3.29Å; K753-V755 PolarHBondContact O-N 3.4Å; K753-S756 WeakPolarHBondContact CA-OG 3.4Å; K753-S756 PolarHBondContact O-N 2.78Å; K753-S756 PolarHBondContact O-OG 2.7Å; K753-E757 WeakPolarHBondContact CE-OE1 3.36Å; K753-E757 PolarHBondContact O-N 2.9Å |
| 754 | K | 59.8 | Low | 57.5 | Low | 156 Ų | 156 | 120.6 Ų | 120.6 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.8 | -30.9 | 174.6 | -71.3 | -170.2 | 176.4 | -153.7 | 0 | 113.5 | D750 R751 S756 E757 | D750-K754 WeakPolarHBondContact O-CG 3.32Å; D750-K754 PolarHBondContact O-N 2.88Å; D750-K754 VanDerWaalsContact O-N 3.09Å; R751-K754 PolarHBondContact O-N 3.45Å; K754-S756 VanDerWaalsContact C-N 3.3Å; K754-E757 PolarHBondContact O-N 3.06Å |
| 755 | V | 56.1 | Low | 56.2 | Low | 119 Ų | 119 | 121.4 Ų | 121.4 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.7 | -24.9 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | R751 K752 K753 | R751-V755 WeakPolarHBondContact O-CG2 3.46Å; R751-V755 PolarHBondContact O-N 2.82Å; K752-V755 PolarHBondContact O-N 2.96Å; K753-V755 VanDerWaalsContact C-N 3.29Å; K753-V755 PolarHBondContact O-N 3.4Å |
| 756 | S | 51.5 | Low | 54.4 | Low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -4.4 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | K752 K753 K754 | K752-S756 PolarHBondContact O-N 3.15Å; K752-S756 PolarHBondContact O-OG 3.09Å; K753-S756 WeakPolarHBondContact CA-OG 3.4Å; K753-S756 PolarHBondContact O-N 2.78Å; K753-S756 PolarHBondContact O-OG 2.7Å; K754-S756 VanDerWaalsContact C-N 3.3Å |
| 757 | E | 46 | Very low | 52.5 | Low | 117 Ų | 117 | 131 Ų | 131 | 55% | 0.547 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -101.5 | 3.5 | -176.7 | -74.2 | 168.8 | 169.4 | 0 | 0 | 113.6 | K753 K754 | K753-E757 WeakPolarHBondContact CE-OE1 3.36Å; K753-E757 PolarHBondContact O-N 2.9Å; K754-E757 PolarHBondContact O-N 3.06Å |
| 758 | S | 40.7 | Very low | 50.6 | Low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | -101.1 | 112.7 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | A760 | S758-A760 PolarHBondContact O-N 3.29Š| ||
| 759 | P | 45.1 | Very low | 49.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -83.5 | 114.5 | 179.9 | 31.8 | -32.6 | 0 | 0 | 0 | 112 | ||||
| 760 | A | 38 | Very low | 47.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -137.4 | 136.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S758 | S758-A760 PolarHBondContact O-N 3.29Š| ||
| 761 | A | 37.6 | Very low | 45.8 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 136.6 | -165 | 0 | 0 | 0 | 0 | 0 | 114.4 | R763 | A761-R763 PolarHBondContact O-N 3.19Š| ||
| 762 | A | 36.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -91.7 | 91.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 763 | R | 43.4 | Very low | 43 | Very low | 232 Ų | 232 | 135 Ų | 135 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | -146.3 | 85.7 | 166.8 | -82.1 | -160.1 | 174.3 | -178.5 | -0.4 | 114.2 | A761 | A761-R763 PolarHBondContact O-N 3.19Š| ||
| 764 | K | 37.8 | Very low | 41.3 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | 163.5 | 140.2 | 112.2 | -89 | 174.8 | 178.8 | -178.2 | 0 | 110.2 | |||||
| 765 | A | 39.8 | Very low | 40.1 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -82.8 | 137.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 766 | Q | 35.8 | Very low | 39.1 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -139.7 | 155.2 | 152.4 | -87.8 | -54.7 | -18.8 | 0 | 0 | 111.2 | ||||
| 767 | H | 35.3 | Very low | 38.2 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -33.1 | 138.4 | -168.4 | -103.6 | -102.1 | 0 | 0 | 0 | 121.5 | ||||
| 768 | K | 35.7 | Very low | 37.5 | Very low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -55.3 | 153.1 | 141.6 | -89.8 | -178.4 | 179.3 | 177.8 | 0 | 109.7 | ||||
| 769 | P | 45.5 | Very low | 37.4 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 66% | 0.662 | 82% | 0.816 | S | S | * | * | -158 | -174.5 | 53.7 | 45.6 | -25 | 0 | 0 | 0 | 119 | |||||
| 770 | K | 32.8 | Very low | 37.6 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | 65.9 | 104.4 | 152.4 | -73.3 | 162.6 | -171.5 | 179.5 | 0 | 120 | ||||
| 771 | S | 36.2 | Very low | 37.3 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | -57.4 | 160.4 | 129.7 | 5.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 772 | P | 46.3 | Very low | 37.3 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | cis | -149.1 | 179.4 | 48.8 | 43.4 | -23.4 | 0 | 0 | 0 | 118.1 | ||||
| 773 | T | 33.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 20.9 | 122.3 | 141.4 | -50.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 774 | T | 33 | Very low | 37 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | -168 | 156.2 | 122.5 | 14.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 775 | N | 35.1 | Very low | 36.9 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -86.8 | 133.2 | 171.2 | -56 | -77.1 | 0 | 0 | 0 | 110.1 | ||||
| 776 | R | 36 | Very low | 36.5 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -152.7 | 119.3 | 141.8 | -148.2 | 160.9 | -178.1 | 131.2 | -2.6 | 115.4 | ||||
| 777 | V | 32.5 | Very low | 36.3 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -29.7 | 137.4 | 158.5 | 176.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 778 | Q | 31.1 | Very low | 36.3 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -139.3 | 134 | 132 | -102.6 | -178.9 | 16 | 0 | 0 | 112 | ||||
| 779 | K | 37 | Very low | 36.7 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -147.8 | 165.3 | 170.8 | -98 | -168.3 | 177.4 | -173.6 | 0 | 104 | ||||
| 780 | P | 51.4 | Low | 35.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | cis | -144.9 | -146.7 | 30.2 | 44 | -22.8 | 0 | 0 | 0 | 113.9 | ||||
| 781 | S | 31 | Very low | 35.9 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 83.2 | 136.4 | 171.2 | 82.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 782 | Q | 36.8 | Very low | 35.5 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | cis | -155.2 | 135.1 | -7.4 | -148.9 | 168.5 | -6.2 | 0 | 0 | 112.8 | ||||
| 783 | G | 33.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 64.6 | 150.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 784 | Q | 39.6 | Very low | 34.6 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | cis | -147.5 | 137.7 | -13 | -106.1 | 174.9 | -8 | 0 | 0 | 109.9 | ||||
| 785 | T | 36.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | 7.4 | 143.4 | 148.1 | 50.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 786 | S | 31.9 | Very low | 34.2 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | cis | -170.4 | -162.2 | -2.3 | 48.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 787 | S | 31.4 | Very low | 34 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -152.7 | 163.4 | 13.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 788 | T | 34.5 | Very low | 34.2 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -145 | 170.5 | 167.5 | 70 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 789 | P | 44.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | -145.4 | -176.7 | 57.6 | 39.6 | -18.1 | 0 | 0 | 0 | 115.8 | |||||
| 790 | G | 27.6 | Very low | 34.3 | Very low | 81 Ų | 81 | 147.1 Ų | 147.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 174.4 | 59.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 791 | Q | 33 | Very low | 33.7 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -99.5 | 135.1 | -172.8 | 179.4 | 179.9 | -12.6 | 0 | 0 | 111.8 | ||||
| 792 | L | 29.8 | Very low | 34.7 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | 174.7 | 148.4 | 124.6 | -93.1 | 168.6 | 0 | 0 | 0 | 115.6 | |||||
| 793 | N | 30.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 55.5 | 118.3 | 154.3 | -77.7 | -35 | 0 | 0 | 0 | 124 | ||||
| 794 | R | 30.2 | Very low | 36 | Very low | 223 Ų | 223 | 144.2 Ų | 144.2 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | 20.8 | 131.2 | 117.7 | -56.8 | 177.8 | 174 | -132.2 | 3.7 | 116.2 | |||||
| 795 | Q | 30.8 | Very low | 36.5 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | cis | -152.2 | 178.2 | 49.3 | -70 | -175.2 | 15.7 | 0 | 0 | 111.2 | ||||
| 796 | G | 28.8 | Very low | 37.2 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | trans | -111.6 | 154.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 797 | S | 31.1 | Very low | 38.1 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -166.4 | 113.6 | 149.3 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | Y799 | S797-Y799 PolarHBondContact O-N 3.26Š| ||
| 798 | W | 36.1 | Very low | 38.9 | Very low | 269 Ų | 269 | 144.7 Ų | 144.7 | 100% | 1.019 | 72% | 0.719 | S | S | * | * | trans | -90.8 | 75.8 | 172.5 | -81.9 | 74.2 | 0 | 0 | 0 | 110 | ||||
| 799 | Y | 31.3 | Very low | 39.4 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -111.4 | 145.2 | 171.2 | -106.5 | -93.4 | 0 | 0 | 0 | 111.8 | S797 | S797-Y799 PolarHBondContact O-N 3.26Š| ||
| 800 | R | 39.3 | Very low | 39.5 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 70% | 0.702 | S | S | * | * | trans | -64.3 | 137.2 | 178.5 | -71.4 | -179.8 | 175.5 | -111.6 | 4.7 | 110.4 | ||||
| 801 | K | 38.9 | Very low | 40.3 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | -109.2 | 138.2 | 168.1 | -67.6 | 180 | 163.4 | -67.2 | 0 | 109.5 | E805 | K801-E805 WeakPolarHBondContact CD-OE2 3.47Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 VanDerWaalsContact CG-OE2 3.22Å; K801-E805 WeakPolarHBondContact CG-OE2 3.42Å; K801-E805 IonicContact NZ-OE1 3.44Å; K801-E805 PolarHBondContact NZ-OE1 3.14Å; K801-E805 IonicContact NZ-OE2 2.62Å; K801-E805 PolarHBondContact NZ-OE2 3.16Å | ||
| 802 | T | 52 | Low | 40.9 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 51% | 0.509 | 68% | 0.677 | S | S | . | * | trans | -85.5 | 170.5 | -177.8 | 61.9 | 0 | 0 | 0 | 0 | 111 | E804 | T802-E804 VanDerWaalsContact C-N 3.3Å; T802-E804 WeakPolarHBondContact CB-OE2 3.44Å; T802-E804 PolarHBondContact O-N 3.34Å; T802-E804 PolarHBondContact OG1-OE2 3.08Å | ||
| 803 | P | 48.8 | Very low | 41.7 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 50% | 0.5 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -58.6 | -36.4 | -178.1 | -26 | 35.7 | 0 | 0 | 0 | 114.8 | E805 R806 | P803-E805 VanDerWaalsContact C-N 3.3Å; P803-E805 PolarHBondContact O-N 2.77Å; P803-R806 PolarHBondContact O-N 3.45Å; P803-R806 VanDerWaalsContact O-N 3.15Å |
| 804 | E | 49.7 | Very low | 42.5 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 51% | 0.514 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -68.3 | -30.6 | -167.3 | -52.3 | 68.4 | -138.1 | 0 | 0 | 112.1 | T802 R806 V807 | T802-E804 VanDerWaalsContact C-N 3.3Å; T802-E804 WeakPolarHBondContact CB-OE2 3.44Å; T802-E804 PolarHBondContact O-N 3.34Å; T802-E804 PolarHBondContact OG1-OE2 3.08Å; E804-R806 VanDerWaalsContact C-N 3.26Å; E804-R806 PolarHBondContact O-N 3.46Å; E804-V807 PolarHBondContact O-N 3Å |
| 805 | E | 49 | Very low | 43.4 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 37% | 0.374 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.9 | -17.7 | 179.6 | -149.4 | -166.2 | -175.1 | 0 | 0 | 112.9 | K801 P803 | K801-E805 WeakPolarHBondContact CD-OE2 3.47Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 VanDerWaalsContact CG-OE2 3.22Å; K801-E805 WeakPolarHBondContact CG-OE2 3.42Å; K801-E805 IonicContact NZ-OE1 3.44Å; K801-E805 PolarHBondContact NZ-OE1 3.14Å; K801-E805 IonicContact NZ-OE2 2.62Å; K801-E805 PolarHBondContact NZ-OE2 3.16Å; P803-E805 VanDerWaalsContact C-N 3.3Å; P803-E805 PolarHBondContact O-N 2.77Å |
| 806 | R | 52.3 | Low | 44.2 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.3 | -35.2 | 173.8 | -81.4 | -179.5 | -77.3 | 165 | -3.1 | 112.6 | P803 E804 R809 L810 | P803-R806 PolarHBondContact O-N 3.45Å; P803-R806 VanDerWaalsContact O-N 3.15Å; E804-R806 VanDerWaalsContact C-N 3.26Å; E804-R806 PolarHBondContact O-N 3.46Å; R806-R809 PolarHBondContact O-N 3.29Å; R806-L810 WeakPolarHBondContact O-CD1 3.29Å |
| 807 | V | 50 | Low | 44.9 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 56% | 0.558 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -62.6 | -48.8 | -177.3 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | E804 R809 L810 | E804-V807 PolarHBondContact O-N 3Å; V807-R809 PolarHBondContact O-N 3.12Å; V807-L810 PolarHBondContact O-N 3.15Å |
| 808 | R | 48.9 | Very low | 45.5 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -12.2 | 179.8 | -61.2 | -172.2 | -169.8 | 136 | 1.9 | 115.1 | ||
| 809 | R | 44.6 | Very low | 45.7 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.7 | 176.2 | -76.5 | -165.5 | 174 | -144.1 | -2.3 | 114.4 | R806 V807 I813 | R806-R809 PolarHBondContact O-N 3.29Å; V807-R809 PolarHBondContact O-N 3.12Å; R809-I813 WeakPolarHBondContact O-CD1 3.48Å; R809-I813 WeakPolarHBondContact O-CG1 3.47Å |
| 810 | L | 46.9 | Very low | 46.2 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -38.9 | 170.7 | -85.6 | 79.3 | 0 | 0 | 0 | 111.5 | R806 V807 T812 I813 K814 | R806-L810 WeakPolarHBondContact O-CD1 3.29Å; V807-L810 PolarHBondContact O-N 3.15Å; L810-T812 VanDerWaalsContact C-N 3.29Å; L810-T812 PolarHBondContact O-N 2.88Å; L810-I813 PolarHBondContact O-N 3.3Å; L810-I813 VanDerWaalsContact O-N 3.12Å; L810-K814 PolarHBondContact O-N 3.48Å |
| 811 | D | 44.6 | Very low | 46.5 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -28.9 | -178.1 | -65.5 | -37.8 | 0 | 0 | 0 | 113.4 | ||
| 812 | T | 45.8 | Very low | 46.9 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -26.6 | 173.9 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | L810 | L810-T812 VanDerWaalsContact C-N 3.29Å; L810-T812 PolarHBondContact O-N 2.88Å |
| 813 | I | 46.8 | Very low | 46.6 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -77.6 | -34.3 | 178 | -68.1 | 175.1 | 0 | 0 | 0 | 111 | R809 L810 K815 Q816 | R809-I813 WeakPolarHBondContact O-CD1 3.48Å; R809-I813 WeakPolarHBondContact O-CG1 3.47Å; L810-I813 PolarHBondContact O-N 3.3Å; L810-I813 VanDerWaalsContact O-N 3.12Å; I813-K815 PolarHBondContact O-N 2.85Å; I813-K815 VanDerWaalsContact O-N 3.08Å; I813-Q816 PolarHBondContact O-N 3.03Å |
| 814 | K | 46 | Very low | 46.5 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -66.1 | -4.8 | 175.2 | -88.3 | -170.3 | 172 | -175.1 | 0 | 115.3 | L810 | L810-K814 PolarHBondContact O-N 3.48Š|
| 815 | K | 49.8 | Very low | 46.3 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 81% | 0.809 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -105.6 | 7.5 | 179.2 | -87.1 | -169.8 | 171.9 | -174.4 | 0 | 115.7 | I813 | I813-K815 PolarHBondContact O-N 2.85Å; I813-K815 VanDerWaalsContact O-N 3.08Å |
| 816 | Q | 46.4 | Very low | 46.1 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -113.2 | 9.4 | 179.9 | -62.8 | -148 | -73.5 | 0 | 0 | 115.8 | I813 | I813-Q816 PolarHBondContact O-N 3.03Š|
| 817 | H | 43.7 | Very low | 45.7 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | -123.1 | 76.6 | 172.6 | -65.1 | -61.8 | 0 | 0 | 0 | 110.6 | ||||
| 818 | S | 45.3 | Very low | 45.3 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -157.7 | 54.8 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 819 | L | 40.5 | Very low | 45 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 123.8 | 162.4 | -72.7 | 178.2 | 0 | 0 | 0 | 106.7 | ||||
| 820 | G | 39.9 | Very low | 45.1 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 100% | 1.608 | 81% | 0.811 | S | S | * | * | trans | 122.3 | 0 | -160.1 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 820 of 820 residues in 447.8 ms
(Link to these results)