| 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 | 34.5 | Very low | 59.6 | Low | 251 Ų | 251 | 100 Ų | 100 | 100% | 1.236 | 56% | 0.556 | S | S | * | * | 0 | 104.3 | 0 | -69.7 | 172 | 173.7 | 0 | 0 | 107.1 | |||||
| 2 | A | 31 | Very low | 61.3 | Low | 91 Ų | 91 | 97.3 Ų | 97.3 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | trans | -148 | 130.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | Q | 34.8 | Very low | 62.6 | Low | 183 Ų | 183 | 96 Ų | 96 | 86% | 0.855 | 54% | 0.543 | S | S | * | . | trans | 34.2 | 100.2 | 159.6 | -70.8 | 152.1 | -41.8 | 0 | 0 | 117.8 | A5 | Q3-A5 PolarHBondContact O-N 3.48Å; Q3-A5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | Q | 44.6 | Very low | 63.8 | Low | 199 Ų | 199 | 89.1 Ų | 89.1 | 93% | 0.93 | 51% | 0.505 | S | S | * | . | trans | -60.3 | 109 | 137.8 | -73.8 | 175.9 | -72 | 0 | 0 | 106.8 | ||||
| 5 | A | 50.3 | Low | 64.7 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | trans | -61.3 | 138.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q3 V7 L10 | Q3-A5 PolarHBondContact O-N 3.48Å; Q3-A5 VanDerWaalsContact O-N 3.15Å; A5-V7 PolarHBondContact O-N 3.13Å; A5-L10 HydrophobicContact CB-CD1 4.36Å; A5-L10 HydrophobicContact CB-CG 4.42Å | ||
| 6 | N | 68.8 | Low | 65.5 | Low | 95 Ų | 95 | 84.4 Ų | 84.4 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | trans | -67.6 | 125.5 | -171.7 | -163.1 | 1.3 | 0 | 0 | 0 | 109.7 | G8 E9 L10 | N6-G8 PolarHBondContact O-N 3.03Å; N6-G8 VanDerWaalsContact O-N 3.13Å; N6-E9 HydrophobicContact CB-CB 4.18Å; N6-E9 HydrophobicContact CB-CG 3.94Å; N6-E9 WeakPolarHBondContact CB-OE1 3.38Å; N6-E9 PolarHBondContact ND2-OE1 3.4Å; N6-E9 WeakPolarHBondContact O-CB 3.46Å; N6-E9 PolarHBondContact O-N 3.33Å; N6-L10 PolarHBondContact O-N 3.07Å; N6-L10 VanDerWaalsContact O-N 3.16Å | ||
| 7 | V | 77 | Confident | 66 | Low | 39 Ų | 39 | 86.2 Ų | 86.2 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.4 | -33.4 | -172.9 | 180 | 0 | 0 | 0 | 0 | 111.5 | A5 E9 L10 L11 M40 L41 | A5-V7 PolarHBondContact O-N 3.13Å; V7-E9 PolarHBondContact O-N 2.89Å; V7-L10 PolarHBondContact O-N 3.03Å; V7-L11 HydrophobicContact CG1-CD1 4.28Å; V7-L11 HydrophobicContact CG1-CG 4.47Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.38Å; V7-L11 PolarHBondContact O-N 3Å; V7-M40 HydrophobicContact CG2-CE 4.5Å; V7-L41 HydrophobicContact CG1-CD2 4.06Å; V7-L41 HydrophobicContact CG2-CD2 4.15Å |
| 8 | G | 76.7 | Confident | 66.3 | Low | 43 Ų | 43 | 87.8 Ų | 87.8 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N6 A12 | N6-G8 PolarHBondContact O-N 3.03Å; N6-G8 VanDerWaalsContact O-N 3.13Å; G8-A12 WeakPolarHBondContact O-CB 3.38Å; G8-A12 PolarHBondContact O-N 3.25Å |
| 9 | E | 77.5 | Confident | 66.9 | Low | 115 Ų | 115 | 89.8 Ų | 89.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 175.4 | -71.5 | 156.5 | -143.5 | 0 | 0 | 110.5 | N6 V7 A12 M13 | N6-E9 HydrophobicContact CB-CB 4.18Å; N6-E9 HydrophobicContact CB-CG 3.94Å; N6-E9 WeakPolarHBondContact CB-OE1 3.38Å; N6-E9 PolarHBondContact ND2-OE1 3.4Å; N6-E9 WeakPolarHBondContact O-CB 3.46Å; N6-E9 PolarHBondContact O-N 3.33Å; V7-E9 PolarHBondContact O-N 2.89Å; E9-A12 PolarHBondContact O-N 3.36Å; E9-M13 WeakPolarHBondContact O-CG 3.5Å; E9-M13 PolarHBondContact O-N 3.09Å; E9-M13 VanDerWaalsContact O-N 3.16Å |
| 10 | L | 78.5 | Confident | 67.4 | Low | 20 Ų | 20 | 87.5 Ų | 87.5 | 11% | 0.105 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.1 | -67.3 | 173.2 | 0 | 0 | 0 | 111.5 | A5 N6 V7 M13 L14 V25 V28 F29 | A5-L10 HydrophobicContact CB-CD1 4.36Å; A5-L10 HydrophobicContact CB-CG 4.42Å; N6-L10 PolarHBondContact O-N 3.07Å; N6-L10 VanDerWaalsContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.03Å; L10-M13 HydrophobicContact CD2-CE 3.91Å; L10-M13 PolarHBondContact O-N 3.03Å; L10-L14 PolarHBondContact O-N 3.41Å; L10-V25 VanDerWaalsContact O-CG1 3.31Å; L10-V25 WeakPolarHBondContact O-CG1 3.49Å; L10-V28 HydrophobicContact CD1-CG1 4.11Å; L10-V28 HydrophobicContact CD2-CG1 4.08Å; L10-F29 HydrophobicContact CB-CE2 3.71Å; L10-F29 HydrophobicContact CB-CZ 3.67Å |
| 11 | L | 81.3 | Confident | 68 | Low | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.037 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.9 | -73.7 | 170.4 | 0 | 0 | 0 | 111.6 | V7 M13 L14 F29 T44 L45 Y48 | V7-L11 HydrophobicContact CG1-CD1 4.28Å; V7-L11 HydrophobicContact CG1-CG 4.47Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.38Å; V7-L11 PolarHBondContact O-N 3Å; L11-M13 PolarHBondContact O-N 3.32Å; L11-L14 HydrophobicContact CD2-CD1 3.95Å; L11-L14 WeakPolarHBondContact O-CB 3.44Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-F29 HydrophobicContact CD2-CE1 4.05Å; L11-F29 HydrophobicContact CD2-CE2 4.35Å; L11-F29 HydrophobicContact CD2-CZ 3.6Å; L11-F29 HydrophobicContact CG-CE1 4.45Å; L11-F29 HydrophobicContact CG-CZ 3.81Å; L11-T44 HydrophobicContact CD1-CG2 3.49Å; L11-T44 VanDerWaalsContact CD1-CG2 3.49Å; L11-L45 HydrophobicContact CD2-CD2 3.63Å; L11-L45 HydrophobicContact CD2-CG 4.27Å; L11-Y48 HydrophobicContact CB-CD2 3.97Å; L11-Y48 HydrophobicContact CB-CE2 3.99Å; L11-Y48 HydrophobicContact CB-CG 4.34Å; L11-Y48 HydrophobicContact CD1-CD2 4.36Å; L11-Y48 HydrophobicContact CD1-CG 4.42Å; L11-Y48 HydrophobicContact CD2-CD1 4.15Å; L11-Y48 HydrophobicContact CD2-CG 4.05Å; L11-Y48 PolarHBondContact O-OH 3.22Å; L11-Y48 VanDerWaalsContact O-OH 3.05Å |
| 12 | A | 80.1 | Confident | 70.1 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 55% | 0.554 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -27.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | G8 E9 | G8-A12 WeakPolarHBondContact O-CB 3.38Å; G8-A12 PolarHBondContact O-N 3.25Å; E9-A12 PolarHBondContact O-N 3.36Å |
| 13 | M | 78.4 | Confident | 72.6 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -82.5 | -12.5 | 176.2 | -67.2 | -172.2 | -65.2 | 0 | 0 | 114.4 | E9 L10 L11 D15 S16 V25 | E9-M13 WeakPolarHBondContact O-CG 3.5Å; E9-M13 PolarHBondContact O-N 3.09Å; E9-M13 VanDerWaalsContact O-N 3.16Å; L10-M13 HydrophobicContact CD2-CE 3.91Å; L10-M13 PolarHBondContact O-N 3.03Å; L11-M13 PolarHBondContact O-N 3.32Å; M13-D15 VanDerWaalsContact C-N 3.32Å; M13-D15 PolarHBondContact O-N 3.26Å; M13-S16 WeakPolarHBondContact O-CB 3.49Å; M13-S16 PolarHBondContact O-N 3.06Å; M13-S16 VanDerWaalsContact O-N 3.15Å; M13-V25 HydrophobicContact CB-CG1 4.41Å; M13-V25 HydrophobicContact CB-CG2 3.87Å; M13-V25 HydrophobicContact CE-CG2 4.16Å |
| 14 | L | 79.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 175.1 | -76.5 | 172.2 | 0 | 0 | 0 | 112.4 | L10 L11 S16 V25 F29 L45 P56 I60 | L10-L14 PolarHBondContact O-N 3.41Å; L11-L14 HydrophobicContact CD2-CD1 3.95Å; L11-L14 WeakPolarHBondContact O-CB 3.44Å; L11-L14 PolarHBondContact O-N 3.46Å; L14-S16 PolarHBondContact O-N 3.42Å; L14-V25 HydrophobicContact CD2-CG1 3.72Å; L14-V25 HydrophobicContact CG-CG1 3.94Å; L14-F29 HydrophobicContact CD1-CD2 4.03Å; L14-F29 HydrophobicContact CD1-CE2 3.7Å; L14-F29 HydrophobicContact CD1-CZ 4.3Å; L14-F29 HydrophobicContact CD2-CD2 3.81Å; L14-F29 HydrophobicContact CD2-CE2 4.07Å; L14-F29 HydrophobicContact CG-CD2 4.05Å; L14-F29 HydrophobicContact CG-CE2 3.77Å; L14-L45 HydrophobicContact CD1-CD2 4.19Å; L14-P56 HydrophobicContact CB-CB 4.25Å; L14-P56 HydrophobicContact CB-CG 4.18Å; L14-P56 HydrophobicContact CD2-CB 4.3Å; L14-P56 WeakPolarHBondContact O-CG 3.47Å; L14-I60 HydrophobicContact CD1-CD1 4.02Å; L14-I60 HydrophobicContact CD2-CD1 3.56Å; L14-I60 HydrophobicContact CG-CD1 4.48Å |
| 15 | D | 78.2 | Confident | 76.8 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 16.9 | 177.8 | -75.6 | -14.2 | 0 | 0 | 0 | 112.9 | M13 Y48 S54 P56 | M13-D15 VanDerWaalsContact C-N 3.32Å; M13-D15 PolarHBondContact O-N 3.26Å; D15-Y48 PolarHBondContact OD2-OH 3.49Å; D15-S54 VanDerWaalsContact OD1-CB 3.31Å; D15-S54 WeakPolarHBondContact OD1-CB 3.3Å; D15-S54 PolarHBondContact OD1-OG 2.99Å; D15-S54 WeakPolarHBondContact OD2-CB 3.48Å; D15-P56 WeakPolarHBondContact OD1-CD 3.47Å; D15-P56 VanDerWaalsContact OD1-CG 3.32Å; D15-P56 WeakPolarHBondContact OD1-CG 3.37Å |
| 16 | S | 77.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | trans | -57.6 | 137 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | M13 L14 M18 | M13-S16 WeakPolarHBondContact O-CB 3.49Å; M13-S16 PolarHBondContact O-N 3.06Å; M13-S16 VanDerWaalsContact O-N 3.15Å; L14-S16 PolarHBondContact O-N 3.42Å; S16-M18 PolarHBondContact O-N 2.98Å; S16-M18 PolarHBondContact OG-N 3.09Å | ||
| 17 | P | 73.4 | Confident | 79.1 | Confident | 116 Ų | 116 | 61 Ų | 61 | 75% | 0.753 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -72.4 | -8.8 | 175 | 31.3 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 18 | M | 72.4 | Confident | 79.5 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | trans | -90.2 | 117.3 | 177.6 | -62.8 | -64.4 | 103 | 0 | 0 | 110 | S16 G20 V21 R22 | S16-M18 PolarHBondContact O-N 2.98Å; S16-M18 PolarHBondContact OG-N 3.09Å; M18-G20 PolarHBondContact O-N 3Å; M18-V21 HydrophobicContact CB-CB 4.08Å; M18-V21 HydrophobicContact CB-CG2 3.84Å; M18-V21 PolarHBondContact O-N 3.5Å; M18-R22 PolarHBondContact O-N 3.4Å | ||
| 19 | L | 76.5 | Confident | 79.9 | Confident | 126 Ų | 126 | 59.6 Ų | 59.6 | 66% | 0.66 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.2 | -49.3 | -177.1 | -69.5 | 174.1 | 0 | 0 | 0 | 112.5 | V21 R22 D23 | L19-V21 PolarHBondContact O-N 3.26Å; L19-R22 CarbonylContact O-C 3.54Å; L19-R22 WeakPolarHBondContact O-CB 3.37Å; L19-R22 PolarHBondContact O-N 3.36Å; L19-R22 VanDerWaalsContact O-N 3.07Å; L19-D23 PolarHBondContact O-N 3.37Å |
| 20 | G | 77.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53.7 | -52.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M18 R22 D23 D24 | M18-G20 PolarHBondContact O-N 3Å; G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 3.22Å; G20-D23 PolarHBondContact O-N 3.41Å; G20-D24 WeakPolarHBondContact O-CB 3.34Å; G20-D24 PolarHBondContact O-N 3.41Å |
| 21 | V | 79.6 | Confident | 80.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.3 | -40.9 | 177 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | M18 L19 V25 | M18-V21 HydrophobicContact CB-CB 4.08Å; M18-V21 HydrophobicContact CB-CG2 3.84Å; M18-V21 PolarHBondContact O-N 3.5Å; L19-V21 PolarHBondContact O-N 3.26Å; V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 VanDerWaalsContact O-CB 3.28Å; V21-V25 WeakPolarHBondContact O-CB 3.48Å; V21-V25 WeakPolarHBondContact O-CG2 3.45Å; V21-V25 PolarHBondContact O-N 3.16Å |
| 22 | R | 79.5 | Confident | 80.6 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 177 | 166.1 | 178.5 | 162.2 | 156.4 | 3.1 | 111.9 | M18 L19 G20 T26 P56 | M18-R22 PolarHBondContact O-N 3.4Å; L19-R22 CarbonylContact O-C 3.54Å; L19-R22 WeakPolarHBondContact O-CB 3.37Å; L19-R22 PolarHBondContact O-N 3.36Å; L19-R22 VanDerWaalsContact O-N 3.07Å; G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 3.22Å; R22-T26 WeakPolarHBondContact O-CB 3.49Å; R22-T26 PolarHBondContact O-N 3.24Å; R22-T26 PolarHBondContact O-OG1 3.43Å; R22-P56 HydrophobicContact CG-CB 4.45Å |
| 23 | D | 81.8 | Confident | 80.8 | Confident | 96 Ų | 96 | 63 Ų | 63 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.4 | -38.7 | -178.7 | -68.8 | -33.3 | 0 | 0 | 0 | 111.3 | L19 G20 T26 A27 | L19-D23 PolarHBondContact O-N 3.37Å; G20-D23 PolarHBondContact O-N 3.41Å; D23-T26 CarbonylContact O-C 3.25Å; D23-T26 PolarHBondContact O-N 3.43Å; D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 2.96Å |
| 24 | D | 83.2 | Confident | 81 | Confident | 107 Ų | 107 | 64.9 Ų | 64.9 | 57% | 0.572 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.3 | -52.7 | 168.2 | -68.9 | -32.6 | 0 | 0 | 0 | 110.8 | G20 T26 A27 V28 | G20-D24 WeakPolarHBondContact O-CB 3.34Å; G20-D24 PolarHBondContact O-N 3.41Å; D24-T26 VanDerWaalsContact C-N 3.3Å; D24-T26 PolarHBondContact O-N 3.13Å; D24-A27 WeakPolarHBondContact O-CB 3.47Å; D24-A27 PolarHBondContact O-N 3.09Å; D24-A27 VanDerWaalsContact O-N 3.12Å; D24-V28 WeakPolarHBondContact O-CG2 3.44Å; D24-V28 PolarHBondContact O-N 3.01Å |
| 25 | V | 84.6 | Confident | 81.1 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | L10 M13 L14 V21 A27 V28 F29 | L10-V25 VanDerWaalsContact O-CG1 3.31Å; L10-V25 WeakPolarHBondContact O-CG1 3.49Å; M13-V25 HydrophobicContact CB-CG1 4.41Å; M13-V25 HydrophobicContact CB-CG2 3.87Å; M13-V25 HydrophobicContact CE-CG2 4.16Å; L14-V25 HydrophobicContact CD2-CG1 3.72Å; L14-V25 HydrophobicContact CG-CG1 3.94Å; V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 VanDerWaalsContact O-CB 3.28Å; V21-V25 WeakPolarHBondContact O-CB 3.48Å; V21-V25 WeakPolarHBondContact O-CG2 3.45Å; V21-V25 PolarHBondContact O-N 3.16Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-V28 PolarHBondContact O-N 3.47Å; V25-F29 HydrophobicContact CG1-CD2 3.81Å; V25-F29 HydrophobicContact CG1-CE2 3.76Å; V25-F29 VanDerWaalsContact O-CD2 3.28Å; V25-F29 WeakPolarHBondContact O-CD2 3.5Å; V25-F29 PolarHBondContact O-N 3.06Å |
| 26 | T | 84.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.043 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 172.8 | -63 | 0 | 0 | 0 | 0 | 111.9 | R22 D23 D24 K30 I60 | R22-T26 WeakPolarHBondContact O-CB 3.49Å; R22-T26 PolarHBondContact O-N 3.24Å; R22-T26 PolarHBondContact O-OG1 3.43Å; D23-T26 CarbonylContact O-C 3.25Å; D23-T26 PolarHBondContact O-N 3.43Å; D24-T26 VanDerWaalsContact C-N 3.3Å; D24-T26 PolarHBondContact O-N 3.13Å; T26-K30 HydrophobicContact CG2-CD 4.27Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.5Å; T26-K30 PolarHBondContact O-N 3.03Å; T26-I60 HydrophobicContact CG2-CD1 4.38Å; T26-I60 HydrophobicContact CG2-CG1 4.11Å |
| 27 | A | 84.3 | Confident | 81.5 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D23 D24 V25 F29 K30 E31 | D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 2.96Å; D24-A27 WeakPolarHBondContact O-CB 3.47Å; D24-A27 PolarHBondContact O-N 3.09Å; D24-A27 VanDerWaalsContact O-N 3.12Å; V25-A27 VanDerWaalsContact C-N 3.34Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 3.28Å; A27-K30 CarbonylContact O-C 3.54Å; A27-K30 WeakPolarHBondContact O-CB 3.36Å; A27-K30 PolarHBondContact O-N 3.47Å; A27-K30 VanDerWaalsContact O-N 3.08Å; A27-E31 PolarHBondContact O-N 3.28Å |
| 28 | V | 85.4 | Confident | 82 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L10 D24 V25 E31 N32 | L10-V28 HydrophobicContact CD1-CG1 4.11Å; L10-V28 HydrophobicContact CD2-CG1 4.08Å; D24-V28 WeakPolarHBondContact O-CG2 3.44Å; D24-V28 PolarHBondContact O-N 3.01Å; V25-V28 PolarHBondContact O-N 3.47Å; V28-E31 PolarHBondContact O-N 3.27Å; V28-N32 WeakPolarHBondContact CG1-ND2 3.42Å; V28-N32 WeakPolarHBondContact O-CB 3.39Å; V28-N32 PolarHBondContact O-N 3.42Å; V28-N32 PolarHBondContact O-ND2 3.03Å |
| 29 | F | 84.6 | Confident | 82.7 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 173 | -89.9 | -72.3 | 0 | 0 | 0 | 112.5 | L10 L11 L14 V25 A27 N32 L33 L45 I60 | L10-F29 HydrophobicContact CB-CE2 3.71Å; L10-F29 HydrophobicContact CB-CZ 3.67Å; L11-F29 HydrophobicContact CD2-CE1 4.05Å; L11-F29 HydrophobicContact CD2-CE2 4.35Å; L11-F29 HydrophobicContact CD2-CZ 3.6Å; L11-F29 HydrophobicContact CG-CE1 4.45Å; L11-F29 HydrophobicContact CG-CZ 3.81Å; L14-F29 HydrophobicContact CD1-CD2 4.03Å; L14-F29 HydrophobicContact CD1-CE2 3.7Å; L14-F29 HydrophobicContact CD1-CZ 4.3Å; L14-F29 HydrophobicContact CD2-CD2 3.81Å; L14-F29 HydrophobicContact CD2-CE2 4.07Å; L14-F29 HydrophobicContact CG-CD2 4.05Å; L14-F29 HydrophobicContact CG-CE2 3.77Å; V25-F29 HydrophobicContact CG1-CD2 3.81Å; V25-F29 HydrophobicContact CG1-CE2 3.76Å; V25-F29 VanDerWaalsContact O-CD2 3.28Å; V25-F29 WeakPolarHBondContact O-CD2 3.5Å; V25-F29 PolarHBondContact O-N 3.06Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 3.28Å; F29-N32 PolarHBondContact O-N 3.39Å; F29-L33 WeakPolarHBondContact O-CB 3.46Å; F29-L33 WeakPolarHBondContact O-CD1 3.42Å; F29-L33 VanDerWaalsContact O-CG 3.22Å; F29-L33 WeakPolarHBondContact O-CG 3.44Å; F29-L33 PolarHBondContact O-N 3.18Å; F29-L45 HydrophobicContact CD1-CD1 4.22Å; F29-L45 HydrophobicContact CD1-CD2 4.27Å; F29-L45 HydrophobicContact CE1-CD2 4.19Å; F29-L45 HydrophobicContact CE1-CG 4.44Å; F29-I60 HydrophobicContact CB-CD1 3.94Å; F29-I60 HydrophobicContact CD2-CD1 4.24Å; F29-I60 HydrophobicContact CG-CD1 4.18Å |
| 30 | K | 84.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 175.6 | -72.9 | 166.4 | -178.6 | 172 | 0 | 111.8 | T26 A27 L33 N34 | T26-K30 HydrophobicContact CG2-CD 4.27Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.5Å; T26-K30 PolarHBondContact O-N 3.03Å; A27-K30 CarbonylContact O-C 3.54Å; A27-K30 WeakPolarHBondContact O-CB 3.36Å; A27-K30 PolarHBondContact O-N 3.47Å; A27-K30 VanDerWaalsContact O-N 3.08Å; K30-L33 PolarHBondContact O-N 3.15Å; K30-N34 WeakPolarHBondContact O-CB 3.5Å; K30-N34 PolarHBondContact O-N 2.96Å; K30-N34 PolarHBondContact O-ND2 3.31Å |
| 31 | E | 83.9 | Confident | 83.9 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.4 | -50.3 | 173.4 | -173.7 | 177 | -168.6 | 0 | 0 | 111.2 | A27 V28 L33 N34 S35 | A27-E31 PolarHBondContact O-N 3.28Å; V28-E31 PolarHBondContact O-N 3.27Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.46Å; E31-N34 WeakPolarHBondContact O-CB 3.47Å; E31-N34 PolarHBondContact O-N 3.19Å; E31-S35 PolarHBondContact O-N 3.46Å; E31-S35 PolarHBondContact O-OG 3.31Å; E31-S35 VanDerWaalsContact O-OG 3.11Å |
| 32 | N | 85 | Confident | 84.4 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 176.9 | -81.8 | -78.9 | 0 | 0 | 0 | 112.6 | V28 F29 N34 S35 D36 L41 | V28-N32 WeakPolarHBondContact CG1-ND2 3.42Å; V28-N32 WeakPolarHBondContact O-CB 3.39Å; V28-N32 PolarHBondContact O-N 3.42Å; V28-N32 PolarHBondContact O-ND2 3.03Å; F29-N32 PolarHBondContact O-N 3.39Å; N32-N34 VanDerWaalsContact C-N 3.33Å; N32-S35 PolarHBondContact O-N 3.23Å; N32-D36 WeakPolarHBondContact O-CB 3.49Å; N32-D36 PolarHBondContact O-N 3.31Å; N32-L41 HydrophobicContact CB-CD1 3.82Å |
| 33 | L | 84.1 | Confident | 84.9 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.6 | -24.1 | 174.7 | -72.9 | 163 | 0 | 0 | 0 | 113.3 | F29 K30 E31 D36 L41 V42 L45 I60 L64 H68 | F29-L33 WeakPolarHBondContact O-CB 3.46Å; F29-L33 WeakPolarHBondContact O-CD1 3.42Å; F29-L33 VanDerWaalsContact O-CG 3.22Å; F29-L33 WeakPolarHBondContact O-CG 3.44Å; F29-L33 PolarHBondContact O-N 3.18Å; K30-L33 PolarHBondContact O-N 3.15Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.46Å; L33-D36 VanDerWaalsContact O-O 3.13Å; L33-L41 HydrophobicContact CD2-CB 3.92Å; L33-L41 HydrophobicContact CD2-CD1 4.29Å; L33-L41 HydrophobicContact CG-CD1 4.48Å; L33-V42 HydrophobicContact CD2-CG2 3.98Å; L33-L45 HydrophobicContact CD1-CD1 4.13Å; L33-I60 HydrophobicContact CD1-CG2 3.74Å; L33-L64 HydrophobicContact CD1-CD2 3.7Å; L33-L64 HydrophobicContact CD2-CD2 3.95Å; L33-L64 HydrophobicContact CG-CD2 4.37Å; L33-H68 PolarHBondContact O-CD2 3.12Å; L33-H68 PolarHBondContact O-NE2 3.25Å |
| 34 | N | 82.2 | Confident | 85.3 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79.3 | -30.8 | 171.2 | -70.1 | -26.1 | 0 | 0 | 0 | 111.8 | K30 E31 N32 | K30-N34 WeakPolarHBondContact O-CB 3.5Å; K30-N34 PolarHBondContact O-N 2.96Å; K30-N34 PolarHBondContact O-ND2 3.31Å; E31-N34 WeakPolarHBondContact O-CB 3.47Å; E31-N34 PolarHBondContact O-N 3.19Å; N32-N34 VanDerWaalsContact C-N 3.33Å |
| 35 | S | 81.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -83.9 | -48.1 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | E31 N32 | E31-S35 PolarHBondContact O-N 3.46Å; E31-S35 PolarHBondContact O-OG 3.31Å; E31-S35 VanDerWaalsContact O-OG 3.11Å; N32-S35 PolarHBondContact O-N 3.23Å |
| 36 | D | 80.9 | Confident | 86 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | trans | -91.3 | 132.8 | 175.9 | -176.6 | 21.9 | 0 | 0 | 0 | 110.8 | N32 L33 G38 L41 H68 | N32-D36 WeakPolarHBondContact O-CB 3.49Å; N32-D36 PolarHBondContact O-N 3.31Å; L33-D36 VanDerWaalsContact O-O 3.13Å; D36-G38 PolarHBondContact OD1-N 3.46Å; D36-L41 HydrophobicContact CB-CD1 3.92Å; D36-H68 PolarHBondContact O-CE1 3.18Å; D36-H68 PolarHBondContact O-NE2 3.2Å | ||
| 37 | R | 82.3 | Confident | 86.3 | Confident | 184 Ų | 184 | 55.4 Ų | 55.4 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | trans | -107.6 | 3.7 | 175.7 | -61.9 | -176.9 | 178.9 | -166.8 | -1.9 | 112.4 | P67 H71 | R37-P67 HydrophobicContact CB-CG 4.25Å; R37-P67 HydrophobicContact CG-CG 4.29Å; R37-H71 PolarHBondContact O-NE2 3.36Å | ||
| 38 | G | 83.9 | Confident | 86.6 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -74.4 | 161.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D36 M40 | D36-G38 PolarHBondContact OD1-N 3.46Å; G38-M40 PolarHBondContact O-N 3.04Å |
| 39 | P | 88.1 | Confident | 86.9 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73.7 | -11 | 178.3 | 30.9 | -36.3 | 0 | 0 | 0 | 113.5 | V42 N43 H71 | P39-V42 PolarHBondContact O-N 3Å; P39-N43 VanDerWaalsContact O-CB 3.29Å; P39-N43 WeakPolarHBondContact O-CB 3.41Å; P39-N43 PolarHBondContact O-N 3.2Å; P39-H71 HydrophobicContact CB-CB 4.06Å |
| 40 | M | 89.5 | Confident | 87.1 | Confident | 108 Ų | 108 | 54 Ų | 54 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -58.7 | -169 | -174.4 | -177.1 | 71.6 | 0 | 0 | 112.1 | V7 G38 V42 N43 T44 | V7-M40 HydrophobicContact CG2-CE 4.5Å; G38-M40 PolarHBondContact O-N 3.04Å; M40-V42 VanDerWaalsContact C-N 3.33Å; M40-V42 PolarHBondContact O-N 3.45Å; M40-N43 PolarHBondContact O-N 3.18Å; M40-T44 PolarHBondContact O-N 3.45Å; M40-T44 PolarHBondContact O-OG1 3.49Å |
| 41 | L | 88.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | -177.5 | -63.7 | 175.8 | 0 | 0 | 0 | 112.1 | V7 N32 L33 D36 T44 L45 | V7-L41 HydrophobicContact CG1-CD2 4.06Å; V7-L41 HydrophobicContact CG2-CD2 4.15Å; N32-L41 HydrophobicContact CB-CD1 3.82Å; L33-L41 HydrophobicContact CD2-CB 3.92Å; L33-L41 HydrophobicContact CD2-CD1 4.29Å; L33-L41 HydrophobicContact CG-CD1 4.48Å; D36-L41 HydrophobicContact CB-CD1 3.92Å; L41-T44 PolarHBondContact O-N 3.38Å; L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.41Å |
| 42 | V | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 179 | -179.1 | 0 | 0 | 0 | 0 | 111 | L33 P39 M40 L45 V46 L64 H68 H71 L72 | L33-V42 HydrophobicContact CD2-CG2 3.98Å; P39-V42 PolarHBondContact O-N 3Å; M40-V42 VanDerWaalsContact C-N 3.33Å; M40-V42 PolarHBondContact O-N 3.45Å; V42-L45 PolarHBondContact O-N 3.15Å; V42-V46 WeakPolarHBondContact O-CG2 3.31Å; V42-V46 PolarHBondContact O-N 2.69Å; V42-L64 HydrophobicContact CG1-CD1 3.96Å; V42-L64 HydrophobicContact CG2-CD1 4.3Å; V42-L64 HydrophobicContact CG2-CD2 4.47Å; V42-H68 HydrophobicContact CG2-CB 3.8Å; V42-H68 VanDerWaalsContact CG2-ND1 3.31Å; V42-H68 WeakPolarHBondContact CG2-ND1 3.43Å; V42-H71 HydrophobicContact CB-CB 4.17Å; V42-H71 HydrophobicContact CG1-CB 4.16Å; V42-H71 HydrophobicContact CG2-CB 4.43Å; V42-L72 HydrophobicContact CG1-CB 3.99Å; V42-L72 HydrophobicContact CG1-CD1 4.42Å |
| 43 | N | 91.4 | Very high | 87.2 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 177.1 | -73.2 | -9.1 | 0 | 0 | 0 | 110.8 | P39 M40 L45 V46 D47 R75 | P39-N43 VanDerWaalsContact O-CB 3.29Å; P39-N43 WeakPolarHBondContact O-CB 3.41Å; P39-N43 PolarHBondContact O-N 3.2Å; M40-N43 PolarHBondContact O-N 3.18Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 2.96Å; N43-V46 PolarHBondContact O-N 3.1Å; N43-V46 VanDerWaalsContact O-N 3.15Å; N43-D47 WeakPolarHBondContact O-CB 3.43Å; N43-D47 PolarHBondContact O-N 3.44Å; N43-D47 VanDerWaalsContact O-OD1 3.09Å; N43-R75 WeakPolarHBondContact OD1-CB 3.44Å; N43-R75 WeakPolarHBondContact OD1-CG 3.43Å |
| 44 | T | 90.7 | Very high | 87.2 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | -179.9 | -39 | 0 | 0 | 0 | 0 | 112.3 | L11 M40 L41 Y48 | L11-T44 HydrophobicContact CD1-CG2 3.49Å; L11-T44 VanDerWaalsContact CD1-CG2 3.49Å; M40-T44 PolarHBondContact O-N 3.45Å; M40-T44 PolarHBondContact O-OG1 3.49Å; L41-T44 PolarHBondContact O-N 3.38Å; T44-Y48 WeakPolarHBondContact O-CB 3.34Å; T44-Y48 PolarHBondContact O-N 2.91Å |
| 45 | L | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 171.7 | -78.6 | 163.4 | 0 | 0 | 0 | 112.7 | L11 L14 F29 L33 L41 V42 N43 Y49 I60 L61 | L11-L45 HydrophobicContact CD2-CD2 3.63Å; L11-L45 HydrophobicContact CD2-CG 4.27Å; L14-L45 HydrophobicContact CD1-CD2 4.19Å; F29-L45 HydrophobicContact CD1-CD1 4.22Å; F29-L45 HydrophobicContact CD1-CD2 4.27Å; F29-L45 HydrophobicContact CE1-CD2 4.19Å; F29-L45 HydrophobicContact CE1-CG 4.44Å; L33-L45 HydrophobicContact CD1-CD1 4.13Å; L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.41Å; V42-L45 PolarHBondContact O-N 3.15Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 2.96Å; L45-Y49 WeakPolarHBondContact O-CB 3.4Å; L45-Y49 PolarHBondContact O-N 3.32Å; L45-I60 HydrophobicContact CD1-CG2 3.81Å; L45-I60 HydrophobicContact CD2-CG2 4.4Å; L45-L61 HydrophobicContact CB-CD2 3.74Å; L45-L61 HydrophobicContact CB-CG 4.25Å |
| 46 | V | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V42 N43 Y49 L50 L61 L72 R75 Y79 I89 L92 | V42-V46 WeakPolarHBondContact O-CG2 3.31Å; V42-V46 PolarHBondContact O-N 2.69Å; N43-V46 PolarHBondContact O-N 3.1Å; N43-V46 VanDerWaalsContact O-N 3.15Å; V46-Y49 PolarHBondContact O-N 2.99Å; V46-L50 HydrophobicContact CG1-CD1 4.18Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.06Å; V46-L61 HydrophobicContact CG2-CD1 4.23Å; V46-L61 HydrophobicContact CG2-CD2 3.69Å; V46-L72 HydrophobicContact CG2-CD1 3.72Å; V46-R75 HydrophobicContact CB-CG 4.1Å; V46-R75 HydrophobicContact CG1-CG 3.88Å; V46-R75 HydrophobicContact CG2-CG 4.47Å; V46-Y79 HydrophobicContact CG1-CD2 4.29Å; V46-Y79 HydrophobicContact CG1-CE2 4.36Å; V46-I89 HydrophobicContact CG1-CD1 3.88Å; V46-L92 HydrophobicContact CG1-CD2 4.37Å; V46-L92 HydrophobicContact CG2-CD2 4.43Å |
| 47 | D | 91.3 | Very high | 87.6 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 179.5 | -59.2 | -8.8 | 0 | 0 | 0 | 110.4 | N43 Y49 L50 E51 R75 Y79 | N43-D47 WeakPolarHBondContact O-CB 3.43Å; N43-D47 PolarHBondContact O-N 3.44Å; N43-D47 VanDerWaalsContact O-OD1 3.09Å; D47-Y49 VanDerWaalsContact C-N 3.35Å; D47-Y49 PolarHBondContact O-N 3.48Å; D47-L50 WeakPolarHBondContact O-CB 3.36Å; D47-L50 PolarHBondContact O-N 2.87Å; D47-L50 VanDerWaalsContact O-N 3.08Å; D47-E51 PolarHBondContact O-N 3.3Å; D47-R75 IonicContact OD1-CZ 3.76Å; D47-R75 VanDerWaalsContact OD1-CZ 3.28Å; D47-R75 IonicContact OD1-NE 2.67Å; D47-R75 PolarHBondContact OD1-NE 3.38Å; D47-R75 IonicContact OD1-NH2 2.66Å; D47-R75 PolarHBondContact OD1-NH2 3.06Å; D47-R75 IonicContact OD2-CZ 2.69Å; D47-R75 IonicContact OD2-NE 3.33Å; D47-R75 IonicContact OD2-NH2 3.61Å; D47-R75 PolarHBondContact OD2-NH2 3.39Å; D47-Y79 WeakPolarHBondContact OD1-CE2 3.4Å; D47-Y79 PolarHBondContact OD1-OH 3.17Å; D47-Y79 VanDerWaalsContact OD1-OH 3.12Å |
| 48 | Y | 90 | Very high | 87.9 | Confident | 33 Ų | 33 | 38 Ų | 38 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 174.3 | -176.6 | -99.1 | 0 | 0 | 0 | 112.1 | L11 D15 T44 L50 E51 T52 A57 | L11-Y48 HydrophobicContact CB-CD2 3.97Å; L11-Y48 HydrophobicContact CB-CE2 3.99Å; L11-Y48 HydrophobicContact CB-CG 4.34Å; L11-Y48 HydrophobicContact CD1-CD2 4.36Å; L11-Y48 HydrophobicContact CD1-CG 4.42Å; L11-Y48 HydrophobicContact CD2-CD1 4.15Å; L11-Y48 HydrophobicContact CD2-CG 4.05Å; L11-Y48 PolarHBondContact O-OH 3.22Å; L11-Y48 VanDerWaalsContact O-OH 3.05Å; D15-Y48 PolarHBondContact OD2-OH 3.49Å; T44-Y48 WeakPolarHBondContact O-CB 3.34Å; T44-Y48 PolarHBondContact O-N 2.91Å; Y48-L50 VanDerWaalsContact C-N 3.34Å; Y48-L50 PolarHBondContact O-N 3.07Å; Y48-E51 PolarHBondContact O-N 3.46Å; Y48-T52 HydrophobicContact CD1-CG2 4.42Å; Y48-T52 HydrophobicContact CD2-CG2 3.94Å; Y48-T52 HydrophobicContact CE1-CG2 4.14Å; Y48-T52 HydrophobicContact CE2-CG2 3.62Å; Y48-T52 HydrophobicContact CG-CG2 4.33Å; Y48-T52 WeakPolarHBondContact O-CB 3.49Å; Y48-T52 WeakPolarHBondContact O-CG2 3.47Å; Y48-T52 PolarHBondContact O-N 3.2Å; Y48-T52 PolarHBondContact O-OG1 3.35Å; Y48-A57 HydrophobicContact CD1-CB 3.85Å; Y48-A57 HydrophobicContact CE1-CB 4.25Å |
| 49 | Y | 90.5 | Very high | 87.9 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | 173.2 | 169.5 | -91.7 | 0 | 0 | 0 | 112.3 | L45 V46 D47 E51 S53 L58 L61 L92 | L45-Y49 WeakPolarHBondContact O-CB 3.4Å; L45-Y49 PolarHBondContact O-N 3.32Å; V46-Y49 PolarHBondContact O-N 2.99Å; D47-Y49 VanDerWaalsContact C-N 3.35Å; D47-Y49 PolarHBondContact O-N 3.48Å; Y49-E51 VanDerWaalsContact C-N 3.34Å; Y49-S53 WeakPolarHBondContact O-CA 3.43Å; Y49-S53 PolarHBondContact O-N 3.25Å; Y49-L58 HydrophobicContact CD2-CB 3.94Å; Y49-L58 HydrophobicContact CD2-CD1 4.48Å; Y49-L58 HydrophobicContact CE2-CB 3.83Å; Y49-L58 HydrophobicContact CE2-CD1 3.93Å; Y49-L58 HydrophobicContact CE2-CD2 4.27Å; Y49-L58 HydrophobicContact CE2-CG 4.22Å; Y49-L61 HydrophobicContact CG-CD1 4.23Å; Y49-L92 HydrophobicContact CD1-CB 4.29Å; Y49-L92 HydrophobicContact CD1-CD1 4.33Å; Y49-L92 HydrophobicContact CD1-CD2 4.05Å; Y49-L92 HydrophobicContact CD1-CG 4.45Å; Y49-L92 HydrophobicContact CE1-CB 3.67Å; Y49-L92 HydrophobicContact CE1-CD1 4.24Å; Y49-L92 HydrophobicContact CE1-CD2 4.3Å; Y49-L92 HydrophobicContact CE1-CG 4.28Å |
| 50 | L | 89.2 | Confident | 87.8 | Confident | 29 Ų | 29 | 38.5 Ų | 38.5 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -31.9 | 177.8 | -70.8 | 171.8 | 0 | 0 | 0 | 112.9 | V46 D47 Y48 Y79 T85 I89 | V46-L50 HydrophobicContact CG1-CD1 4.18Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.06Å; D47-L50 WeakPolarHBondContact O-CB 3.36Å; D47-L50 PolarHBondContact O-N 2.87Å; D47-L50 VanDerWaalsContact O-N 3.08Å; Y48-L50 VanDerWaalsContact C-N 3.34Å; Y48-L50 PolarHBondContact O-N 3.07Å; L50-Y79 HydrophobicContact CD1-CD1 3.64Å; L50-Y79 HydrophobicContact CD1-CD2 3.54Å; L50-Y79 HydrophobicContact CD1-CE1 3.64Å; L50-Y79 HydrophobicContact CD1-CE2 3.53Å; L50-Y79 HydrophobicContact CD1-CG 3.61Å; L50-T85 HydrophobicContact CD1-CG2 4.49Å; L50-I89 HydrophobicContact CD1-CD1 4.17Å; L50-I89 HydrophobicContact CD2-CB 4.31Å; L50-I89 HydrophobicContact CD2-CD1 4.04Å; L50-I89 HydrophobicContact CG-CD1 4.39Å |
| 51 | E | 87.4 | Confident | 87.8 | Confident | 169 Ų | 169 | 33.3 Ų | 33.3 | 79% | 0.79 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -82.2 | -38.6 | 178 | -69.9 | -178.4 | 177.8 | 0 | 0 | 113.2 | D47 Y48 Y49 | D47-E51 PolarHBondContact O-N 3.3Å; Y48-E51 PolarHBondContact O-N 3.46Å; Y49-E51 VanDerWaalsContact C-N 3.34Å |
| 52 | T | 84.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 34.5 Ų | 34.5 | 36% | 0.356 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -104.4 | -23.3 | -172.1 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | Y48 S54 | Y48-T52 HydrophobicContact CD1-CG2 4.42Å; Y48-T52 HydrophobicContact CD2-CG2 3.94Å; Y48-T52 HydrophobicContact CE1-CG2 4.14Å; Y48-T52 HydrophobicContact CE2-CG2 3.62Å; Y48-T52 HydrophobicContact CG-CG2 4.33Å; Y48-T52 WeakPolarHBondContact O-CB 3.49Å; Y48-T52 WeakPolarHBondContact O-CG2 3.47Å; Y48-T52 PolarHBondContact O-N 3.2Å; Y48-T52 PolarHBondContact O-OG1 3.35Å; T52-S54 PolarHBondContact O-N 2.87Å; T52-S54 WeakPolarHBondContact OG1-CB 3.42Å; T52-S54 PolarHBondContact OG1-N 3.43Å |
| 53 | S | 83.1 | Confident | 87.3 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | trans | 55.3 | 25.5 | -162.7 | -56.9 | 0 | 0 | 0 | 0 | 114.3 | Y49 Q55 | Y49-S53 WeakPolarHBondContact O-CA 3.43Å; Y49-S53 PolarHBondContact O-N 3.25Å; S53-Q55 PolarHBondContact O-N 2.91Å | ||
| 54 | S | 84.5 | Confident | 87 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | trans | -53.5 | 123.8 | -178.2 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | D15 T52 P56 A57 L58 | D15-S54 VanDerWaalsContact OD1-CB 3.31Å; D15-S54 WeakPolarHBondContact OD1-CB 3.3Å; D15-S54 PolarHBondContact OD1-OG 2.99Å; D15-S54 WeakPolarHBondContact OD2-CB 3.48Å; T52-S54 PolarHBondContact O-N 2.87Å; T52-S54 WeakPolarHBondContact OG1-CB 3.42Å; T52-S54 PolarHBondContact OG1-N 3.43Å; S54-P56 VanDerWaalsContact OG-CD 3.23Å; S54-P56 WeakPolarHBondContact OG-CD 3.32Å; S54-P56 WeakPolarHBondContact OG-CG 3.47Å; S54-A57 PolarHBondContact O-N 3.41Å; S54-A57 PolarHBondContact OG-N 2.87Å; S54-L58 WeakPolarHBondContact O-CB 3.41Å; S54-L58 PolarHBondContact O-N 3.24Å | ||
| 55 | Q | 83.3 | Confident | 86.7 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 175.2 | -65.1 | -62.9 | -53.5 | 0 | 0 | 113.9 | S53 L58 H59 | S53-Q55 PolarHBondContact O-N 2.91Å; Q55-L58 PolarHBondContact O-N 3.47Å; Q55-H59 PolarHBondContact O-N 2.99Å |
| 56 | P | 84 | Confident | 86.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 169.8 | 11.1 | -17.3 | 0 | 0 | 0 | 112.8 | L14 D15 R22 S54 L58 H59 I60 | L14-P56 HydrophobicContact CB-CB 4.25Å; L14-P56 HydrophobicContact CB-CG 4.18Å; L14-P56 HydrophobicContact CD2-CB 4.3Å; L14-P56 WeakPolarHBondContact O-CG 3.47Å; D15-P56 WeakPolarHBondContact OD1-CD 3.47Å; D15-P56 VanDerWaalsContact OD1-CG 3.32Å; D15-P56 WeakPolarHBondContact OD1-CG 3.37Å; R22-P56 HydrophobicContact CG-CB 4.45Å; S54-P56 VanDerWaalsContact OG-CD 3.23Å; S54-P56 WeakPolarHBondContact OG-CD 3.32Å; S54-P56 WeakPolarHBondContact OG-CG 3.47Å; P56-L58 PolarHBondContact O-N 3.36Å; P56-H59 PolarHBondContact O-N 3.46Å; P56-I60 WeakPolarHBondContact O-CG1 3.49Å; P56-I60 PolarHBondContact O-N 3.41Å |
| 57 | A | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y48 S54 H59 I60 L61 | Y48-A57 HydrophobicContact CD1-CB 3.85Å; Y48-A57 HydrophobicContact CE1-CB 4.25Å; S54-A57 PolarHBondContact O-N 3.41Å; S54-A57 PolarHBondContact OG-N 2.87Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-H59 PolarHBondContact O-N 3.14Å; A57-I60 PolarHBondContact O-N 2.78Å; A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 VanDerWaalsContact O-CG 3.28Å; A57-L61 WeakPolarHBondContact O-CG 3.32Å; A57-L61 PolarHBondContact O-N 3.47Å |
| 58 | L | 86.8 | Confident | 85.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 172.4 | 179.2 | 59.9 | 0 | 0 | 0 | 111.8 | Y49 S54 Q55 P56 L61 T62 L92 H95 | Y49-L58 HydrophobicContact CD2-CB 3.94Å; Y49-L58 HydrophobicContact CD2-CD1 4.48Å; Y49-L58 HydrophobicContact CE2-CB 3.83Å; Y49-L58 HydrophobicContact CE2-CD1 3.93Å; Y49-L58 HydrophobicContact CE2-CD2 4.27Å; Y49-L58 HydrophobicContact CE2-CG 4.22Å; S54-L58 WeakPolarHBondContact O-CB 3.41Å; S54-L58 PolarHBondContact O-N 3.24Å; Q55-L58 PolarHBondContact O-N 3.47Å; P56-L58 PolarHBondContact O-N 3.36Å; L58-L61 PolarHBondContact O-N 3.35Å; L58-T62 HydrophobicContact CD1-CG2 4.16Å; L58-T62 WeakPolarHBondContact O-CG2 3.16Å; L58-T62 PolarHBondContact O-N 3.41Å; L58-T62 PolarHBondContact O-OG1 2.83Å; L58-L92 HydrophobicContact CD1-CD1 3.46Å; L58-L92 VanDerWaalsContact CD1-CD1 3.46Å; L58-H95 HydrophobicContact CD1-CB 3.97Å |
| 59 | H | 84.6 | Confident | 85.6 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 177.7 | -179.5 | 62.1 | 0 | 0 | 0 | 111.5 | Q55 P56 A57 L61 T62 T63 | Q55-H59 PolarHBondContact O-N 2.99Å; P56-H59 PolarHBondContact O-N 3.46Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-H59 PolarHBondContact O-N 3.14Å; H59-L61 PolarHBondContact O-N 2.98Å; H59-T62 WeakPolarHBondContact CA-OG1 3.43Å; H59-T62 PolarHBondContact O-N 3.3Å; H59-T62 VanDerWaalsContact O-N 3.17Å; H59-T62 PolarHBondContact O-OG1 3.01Å; H59-T63 WeakPolarHBondContact O-CG2 3.3Å; H59-T63 PolarHBondContact O-N 3.16Å; H59-T63 VanDerWaalsContact O-N 3.11Å; H59-T63 PolarHBondContact O-OG1 2.71Å |
| 60 | I | 86.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.4 | -51.7 | 177.6 | -66.8 | 165 | 0 | 0 | 0 | 110.4 | L14 T26 F29 L33 L45 P56 A57 T62 T63 L64 | L14-I60 HydrophobicContact CD1-CD1 4.02Å; L14-I60 HydrophobicContact CD2-CD1 3.56Å; L14-I60 HydrophobicContact CG-CD1 4.48Å; T26-I60 HydrophobicContact CG2-CD1 4.38Å; T26-I60 HydrophobicContact CG2-CG1 4.11Å; F29-I60 HydrophobicContact CB-CD1 3.94Å; F29-I60 HydrophobicContact CD2-CD1 4.24Å; F29-I60 HydrophobicContact CG-CD1 4.18Å; L33-I60 HydrophobicContact CD1-CG2 3.74Å; L45-I60 HydrophobicContact CD1-CG2 3.81Å; L45-I60 HydrophobicContact CD2-CG2 4.4Å; P56-I60 WeakPolarHBondContact O-CG1 3.49Å; P56-I60 PolarHBondContact O-N 3.41Å; A57-I60 PolarHBondContact O-N 2.78Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.42Å; I60-T63 PolarHBondContact O-N 2.89Å; I60-T63 PolarHBondContact O-OG1 2.95Å; I60-L64 PolarHBondContact O-N 3.19Å |
| 61 | L | 88 | Confident | 85.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -38.5 | 178 | -70.5 | 171.6 | 0 | 0 | 0 | 112.7 | L45 V46 Y49 A57 L58 H59 T63 L64 L72 L92 | L45-L61 HydrophobicContact CB-CD2 3.74Å; L45-L61 HydrophobicContact CB-CG 4.25Å; V46-L61 HydrophobicContact CG2-CD1 4.23Å; V46-L61 HydrophobicContact CG2-CD2 3.69Å; Y49-L61 HydrophobicContact CG-CD1 4.23Å; A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 VanDerWaalsContact O-CG 3.28Å; A57-L61 WeakPolarHBondContact O-CG 3.32Å; A57-L61 PolarHBondContact O-N 3.47Å; L58-L61 PolarHBondContact O-N 3.35Å; H59-L61 PolarHBondContact O-N 2.98Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 2.89Å; L61-L64 HydrophobicContact CD2-CD1 3.98Å; L61-L64 WeakPolarHBondContact O-CG 3.46Å; L61-L72 HydrophobicContact CD2-CD1 4.13Å; L61-L92 HydrophobicContact CB-CD1 4.29Å; L61-L92 HydrophobicContact CD1-CD1 3.96Å; L61-L92 HydrophobicContact CD1-CD2 4.18Å |
| 62 | T | 84.4 | Confident | 85.8 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.6 | -16.9 | 176 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | L58 H59 I60 H95 V96 L99 | L58-T62 HydrophobicContact CD1-CG2 4.16Å; L58-T62 WeakPolarHBondContact O-CG2 3.16Å; L58-T62 PolarHBondContact O-N 3.41Å; L58-T62 PolarHBondContact O-OG1 2.83Å; H59-T62 WeakPolarHBondContact CA-OG1 3.43Å; H59-T62 PolarHBondContact O-N 3.3Å; H59-T62 VanDerWaalsContact O-N 3.17Å; H59-T62 PolarHBondContact O-OG1 3.01Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.42Å; T62-H95 HydrophobicContact CG2-CB 4.19Å; T62-V96 HydrophobicContact CG2-CG2 4.01Å; T62-L99 VanDerWaalsContact CB-CD1 3.48Å; T62-L99 HydrophobicContact CG2-CD1 3.73Å |
| 63 | T | 84.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.8 | 177.8 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | H59 I60 L61 Q65 | H59-T63 WeakPolarHBondContact O-CG2 3.3Å; H59-T63 PolarHBondContact O-N 3.16Å; H59-T63 VanDerWaalsContact O-N 3.11Å; H59-T63 PolarHBondContact O-OG1 2.71Å; I60-T63 PolarHBondContact O-N 2.89Å; I60-T63 PolarHBondContact O-OG1 2.95Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 2.89Å; T63-Q65 PolarHBondContact O-N 3.4Å |
| 64 | L | 85.3 | Confident | 86.4 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 127.8 | -177.3 | -72.4 | 175.4 | 0 | 0 | 0 | 113.1 | L33 V42 I60 L61 H68 L72 W103 | L33-L64 HydrophobicContact CD1-CD2 3.7Å; L33-L64 HydrophobicContact CD2-CD2 3.95Å; L33-L64 HydrophobicContact CG-CD2 4.37Å; V42-L64 HydrophobicContact CG1-CD1 3.96Å; V42-L64 HydrophobicContact CG2-CD1 4.3Å; V42-L64 HydrophobicContact CG2-CD2 4.47Å; I60-L64 PolarHBondContact O-N 3.19Å; L61-L64 HydrophobicContact CD2-CD1 3.98Å; L61-L64 WeakPolarHBondContact O-CG 3.46Å; L64-H68 HydrophobicContact CB-CB 4.38Å; L64-H68 HydrophobicContact CD2-CB 4.06Å; L64-L72 HydrophobicContact CD1-CB 4.34Å; L64-L72 HydrophobicContact CD1-CD1 4.34Å; L64-L72 HydrophobicContact CD1-CD2 4.12Å; L64-W103 PolarHBondContact O-NE1 3.42Å |
| 65 | Q | 84.1 | Confident | 86.8 | Confident | 140 Ų | 140 | 41.4 Ų | 41.4 | 65% | 0.654 | 20% | 0.204 | S | C | * | . | P | Polyproline II helix | trans | -97.9 | 169.3 | 175.5 | -58.8 | -171.7 | 10.5 | 0 | 0 | 111.2 | T63 H68 | T63-Q65 PolarHBondContact O-N 3.4Å; Q65-H68 WeakPolarHBondContact O-CB 2.97Å; Q65-H68 PolarHBondContact O-N 3.02Å |
| 66 | E | 81.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 133.9 | 175.9 | -52.2 | -177.8 | -145 | 0 | 0 | 109.5 | D69 S102 W103 K106 | E66-D69 WeakPolarHBondContact CA-OD1 3.39Å; E66-S102 PolarHBondContact OE1-OG 3.32Å; E66-W103 HydrophobicContact CG-CB 3.9Å; E66-W103 HydrophobicContact CG-CG 4.17Å; E66-K106 WeakPolarHBondContact OE2-CE 3.46Å; E66-K106 IonicContact OE2-NZ 2.86Å; E66-K106 PolarHBondContact OE2-NZ 3.3Å |
| 67 | P | 81.5 | Confident | 87.6 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -98.5 | 8.7 | 19 | 39.6 | -37.8 | 0 | 0 | 0 | 115.7 | R37 D69 K70 | R37-P67 HydrophobicContact CB-CG 4.25Å; R37-P67 HydrophobicContact CG-CG 4.29Å; P67-D69 VanDerWaalsContact CA-OD1 3.26Å; P67-D69 WeakPolarHBondContact CA-OD1 3.29Å; P67-D69 PolarHBondContact O-N 3.19Å; P67-K70 PolarHBondContact O-N 3.05Å |
| 68 | H | 87.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.8 | -13.6 | -175.4 | -70.3 | -59.5 | 0 | 0 | 0 | 113.9 | L33 D36 V42 L64 Q65 K70 H71 L72 | L33-H68 PolarHBondContact O-CD2 3.12Å; L33-H68 PolarHBondContact O-NE2 3.25Å; D36-H68 PolarHBondContact O-CE1 3.18Å; D36-H68 PolarHBondContact O-NE2 3.2Å; V42-H68 HydrophobicContact CG2-CB 3.8Å; V42-H68 VanDerWaalsContact CG2-ND1 3.31Å; V42-H68 WeakPolarHBondContact CG2-ND1 3.43Å; L64-H68 HydrophobicContact CB-CB 4.38Å; L64-H68 HydrophobicContact CD2-CB 4.06Å; Q65-H68 WeakPolarHBondContact O-CB 2.97Å; Q65-H68 PolarHBondContact O-N 3.02Å; H68-K70 VanDerWaalsContact C-N 3.28Å; H68-K70 PolarHBondContact O-N 3.5Å; H68-H71 AromaticContact ND1-CD2 3.61Å; H68-H71 PolarHBondContact O-N 3.23Å; H68-L72 WeakPolarHBondContact O-CB 3.37Å; H68-L72 PolarHBondContact O-N 3.45Å |
| 69 | D | 88.9 | Confident | 88 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.1 | -41.5 | 171.9 | 61.9 | -60 | 0 | 0 | 0 | 112.6 | E66 P67 L73 W103 K106 | E66-D69 WeakPolarHBondContact CA-OD1 3.39Å; P67-D69 VanDerWaalsContact CA-OD1 3.26Å; P67-D69 WeakPolarHBondContact CA-OD1 3.29Å; P67-D69 PolarHBondContact O-N 3.19Å; D69-L73 WeakPolarHBondContact O-CB 3.49Å; D69-L73 WeakPolarHBondContact O-CD1 3.49Å; D69-L73 WeakPolarHBondContact O-CG 3.46Å; D69-L73 PolarHBondContact O-N 3.43Å; D69-W103 HydrophobicContact CB-CB 3.97Å; D69-W103 HydrophobicContact CB-CD2 3.37Å; D69-W103 HydrophobicContact CB-CE3 3.89Å; D69-W103 HydrophobicContact CB-CG 3.42Å; D69-W103 VanDerWaalsContact CB-CG 3.42Å; D69-W103 HydrophobicContact CB-CZ2 4.2Å; D69-W103 HydrophobicContact CB-CZ3 4.47Å; D69-K106 IonicContact OD1-NZ 2.93Å; D69-K106 WeakPolarHBondContact OD2-CD 3.38Å; D69-K106 WeakPolarHBondContact OD2-CE 3.5Å; D69-K106 IonicContact OD2-NZ 3.17Å; D69-K106 PolarHBondContact OD2-NZ 3.36Å |
| 70 | K | 89.4 | Confident | 88.3 | Confident | 130 Ų | 130 | 39.6 Ų | 39.6 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -65.6 | -50.8 | 177.9 | -175.5 | -177.3 | 173.8 | -173.5 | 0 | 111.3 | P67 H68 L72 L73 D74 | P67-K70 PolarHBondContact O-N 3.05Å; H68-K70 VanDerWaalsContact C-N 3.28Å; H68-K70 PolarHBondContact O-N 3.5Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 2.98Å; K70-L73 PolarHBondContact O-N 2.97Å; K70-L73 VanDerWaalsContact O-N 3.16Å; K70-D74 WeakPolarHBondContact CE-OD2 3.45Å; K70-D74 WeakPolarHBondContact O-CB 3.23Å; K70-D74 PolarHBondContact O-N 3.35Å |
| 71 | H | 90.4 | Very high | 88.3 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | -177.8 | -53.8 | -37.2 | 0 | 0 | 0 | 111.1 | R37 P39 V42 H68 R75 | R37-H71 PolarHBondContact O-NE2 3.36Å; P39-H71 HydrophobicContact CB-CB 4.06Å; V42-H71 HydrophobicContact CB-CB 4.17Å; V42-H71 HydrophobicContact CG1-CB 4.16Å; V42-H71 HydrophobicContact CG2-CB 4.43Å; H68-H71 AromaticContact ND1-CD2 3.61Å; H68-H71 PolarHBondContact O-N 3.23Å; H71-R75 WeakPolarHBondContact O-CB 3.43Å; H71-R75 PolarHBondContact O-N 3.21Å |
| 72 | L | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 174.7 | 179.5 | 66 | 0 | 0 | 0 | 111.8 | V42 V46 L61 L64 H68 K70 R75 I76 V96 W103 | V42-L72 HydrophobicContact CG1-CB 3.99Å; V42-L72 HydrophobicContact CG1-CD1 4.42Å; V46-L72 HydrophobicContact CG2-CD1 3.72Å; L61-L72 HydrophobicContact CD2-CD1 4.13Å; L64-L72 HydrophobicContact CD1-CB 4.34Å; L64-L72 HydrophobicContact CD1-CD1 4.34Å; L64-L72 HydrophobicContact CD1-CD2 4.12Å; H68-L72 WeakPolarHBondContact O-CB 3.37Å; H68-L72 PolarHBondContact O-N 3.45Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 2.98Å; L72-R75 PolarHBondContact O-N 3.2Å; L72-I76 HydrophobicContact CD1-CD1 3.85Å; L72-I76 HydrophobicContact CD1-CG1 4.26Å; L72-I76 HydrophobicContact CG-CD1 3.81Å; L72-I76 WeakPolarHBondContact O-CB 3.38Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 2.86Å; L72-V96 HydrophobicContact CD2-CG1 4.39Å; L72-V96 HydrophobicContact CD2-CG2 4.47Å; L72-W103 HydrophobicContact CD2-CH2 3.81Å; L72-W103 HydrophobicContact CD2-CZ2 3.98Å |
| 73 | L | 91 | Very high | 88.6 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | -177.8 | -69.8 | 170.1 | 0 | 0 | 0 | 112.6 | D69 K70 N77 W103 L107 A110 L112 | D69-L73 WeakPolarHBondContact O-CB 3.49Å; D69-L73 WeakPolarHBondContact O-CD1 3.49Å; D69-L73 WeakPolarHBondContact O-CG 3.46Å; D69-L73 PolarHBondContact O-N 3.43Å; K70-L73 PolarHBondContact O-N 2.97Å; K70-L73 VanDerWaalsContact O-N 3.16Å; L73-N77 WeakPolarHBondContact O-CB 3.43Å; L73-N77 PolarHBondContact O-N 3.31Å; L73-W103 HydrophobicContact CD1-CE3 4.23Å; L73-W103 HydrophobicContact CD1-CZ3 3.97Å; L73-W103 HydrophobicContact CD2-CZ3 4.14Å; L73-W103 HydrophobicContact CG-CZ3 4.15Å; L73-L107 HydrophobicContact CD1-CD2 4.47Å; L73-L107 HydrophobicContact CD2-CD2 3.71Å; L73-A110 HydrophobicContact CB-CB 4.11Å; L73-A110 HydrophobicContact CD1-CB 4.07Å; L73-L112 HydrophobicContact CD2-CD2 3.53Å |
| 74 | D | 91 | Very high | 88.8 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.3 | -74.5 | -23 | 0 | 0 | 0 | 111.1 | K70 N77 E78 | K70-D74 WeakPolarHBondContact CE-OD2 3.45Å; K70-D74 WeakPolarHBondContact O-CB 3.23Å; K70-D74 PolarHBondContact O-N 3.35Å; D74-N77 PolarHBondContact O-N 3.01Å; D74-E78 PolarHBondContact O-N 3.46Å; D74-E78 VanDerWaalsContact O-N 3.1Å |
| 75 | R | 91.5 | Very high | 89 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.9 | -164.8 | 62.5 | 167.4 | 171.1 | -5.6 | 112.6 | N43 V46 D47 H71 L72 N77 E78 Y79 | N43-R75 WeakPolarHBondContact OD1-CB 3.44Å; N43-R75 WeakPolarHBondContact OD1-CG 3.43Å; V46-R75 HydrophobicContact CB-CG 4.1Å; V46-R75 HydrophobicContact CG1-CG 3.88Å; V46-R75 HydrophobicContact CG2-CG 4.47Å; D47-R75 IonicContact OD1-CZ 3.76Å; D47-R75 VanDerWaalsContact OD1-CZ 3.28Å; D47-R75 IonicContact OD1-NE 2.67Å; D47-R75 PolarHBondContact OD1-NE 3.38Å; D47-R75 IonicContact OD1-NH2 2.66Å; D47-R75 PolarHBondContact OD1-NH2 3.06Å; D47-R75 IonicContact OD2-CZ 2.69Å; D47-R75 IonicContact OD2-NE 3.33Å; D47-R75 IonicContact OD2-NH2 3.61Å; D47-R75 PolarHBondContact OD2-NH2 3.39Å; H71-R75 WeakPolarHBondContact O-CB 3.43Å; H71-R75 PolarHBondContact O-N 3.21Å; L72-R75 PolarHBondContact O-N 3.2Å; R75-N77 VanDerWaalsContact C-N 3.33Å; R75-N77 PolarHBondContact O-N 2.86Å; R75-E78 IonicContact CZ-OE2 3.83Å; R75-E78 IonicContact NH1-OE1 3.01Å; R75-E78 PolarHBondContact NH1-OE1 3.05Å; R75-E78 IonicContact NH1-OE2 3.5Å; R75-E78 PolarHBondContact NH1-OE2 2.68Å; R75-E78 WeakPolarHBondContact O-CB 3.46Å; R75-E78 PolarHBondContact O-N 3.47Å; R75-Y79 HydrophobicContact CG-CD2 4.15Å; R75-Y79 HydrophobicContact CG-CE2 4.03Å; R75-Y79 PolarHBondContact NH2-OH 3.39Å; R75-Y79 WeakPolarHBondContact O-CD2 3.44Å; R75-Y79 PolarHBondContact O-N 3.17Å |
| 76 | I | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 172.3 | -72.1 | 172 | 0 | 0 | 0 | 110 | L72 E78 Y79 V80 I89 L92 L93 L112 | L72-I76 HydrophobicContact CD1-CD1 3.85Å; L72-I76 HydrophobicContact CD1-CG1 4.26Å; L72-I76 HydrophobicContact CG-CD1 3.81Å; L72-I76 WeakPolarHBondContact O-CB 3.38Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 2.86Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.36Å; I76-Y79 PolarHBondContact O-N 3.05Å; I76-V80 HydrophobicContact CG2-CG2 4.16Å; I76-V80 WeakPolarHBondContact O-CG2 3.2Å; I76-V80 PolarHBondContact O-N 3.08Å; I76-I89 HydrophobicContact CB-CD1 4.49Å; I76-I89 HydrophobicContact CB-CG1 4.14Å; I76-I89 HydrophobicContact CG1-CD1 4.02Å; I76-I89 HydrophobicContact CG1-CG1 4.06Å; I76-I89 HydrophobicContact CG2-CG1 3.91Å; I76-L92 HydrophobicContact CD1-CD2 4.43Å; I76-L92 HydrophobicContact CG1-CD2 4.34Å; I76-L93 HydrophobicContact CD1-CD1 4.37Å; I76-L93 HydrophobicContact CG2-CB 4.28Å; I76-L93 HydrophobicContact CG2-CD1 4.38Å; I76-L93 HydrophobicContact CG2-CD2 4.13Å; I76-L93 HydrophobicContact CG2-CG 4.49Å; I76-L112 HydrophobicContact CG2-CD1 3.63Å; I76-L112 HydrophobicContact CG2-CD2 3.92Å; I76-L112 HydrophobicContact CG2-CG 4.45Å |
| 77 | N | 92.2 | Very high | 89.9 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 179.4 | 176.9 | 68 | 0 | 0 | 0 | 112.5 | L73 D74 R75 V80 G81 P111 L112 S115 | L73-N77 WeakPolarHBondContact O-CB 3.43Å; L73-N77 PolarHBondContact O-N 3.31Å; D74-N77 PolarHBondContact O-N 3.01Å; R75-N77 VanDerWaalsContact C-N 3.33Å; R75-N77 PolarHBondContact O-N 2.86Å; N77-V80 PolarHBondContact O-N 3.46Å; N77-G81 PolarHBondContact O-N 2.88Å; N77-P111 PolarHBondContact OD1-O 3.17Å; N77-L112 HydrophobicContact CB-CB 4.43Å; N77-L112 HydrophobicContact CB-CD1 4.28Å; N77-S115 VanDerWaalsContact OD1-CB 3.23Å; N77-S115 WeakPolarHBondContact OD1-CB 3.11Å; N77-S115 PolarHBondContact OD1-OG 3.35Å |
| 78 | E | 91.9 | Very high | 90.4 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.9 | -166.6 | -161 | 140.3 | 0 | 0 | 112.3 | D74 R75 I76 G81 K82 | D74-E78 PolarHBondContact O-N 3.46Å; D74-E78 VanDerWaalsContact O-N 3.1Å; R75-E78 IonicContact CZ-OE2 3.83Å; R75-E78 IonicContact NH1-OE1 3.01Å; R75-E78 PolarHBondContact NH1-OE1 3.05Å; R75-E78 IonicContact NH1-OE2 3.5Å; R75-E78 PolarHBondContact NH1-OE2 2.68Å; R75-E78 WeakPolarHBondContact O-CB 3.46Å; R75-E78 PolarHBondContact O-N 3.47Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.36Å; E78-G81 PolarHBondContact O-N 3.01Å; E78-K82 WeakPolarHBondContact OE1-CE 3.12Å; E78-K82 IonicContact OE1-NZ 2.65Å; E78-K82 PolarHBondContact OE1-NZ 2.99Å |
| 79 | Y | 91.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.8 | -24 | -179.1 | -78 | -68.4 | 0 | 0 | 0 | 114.2 | V46 D47 L50 R75 I76 G81 K82 T85 I89 | V46-Y79 HydrophobicContact CG1-CD2 4.29Å; V46-Y79 HydrophobicContact CG1-CE2 4.36Å; D47-Y79 WeakPolarHBondContact OD1-CE2 3.4Å; D47-Y79 PolarHBondContact OD1-OH 3.17Å; D47-Y79 VanDerWaalsContact OD1-OH 3.12Å; L50-Y79 HydrophobicContact CD1-CD1 3.64Å; L50-Y79 HydrophobicContact CD1-CD2 3.54Å; L50-Y79 HydrophobicContact CD1-CE1 3.64Å; L50-Y79 HydrophobicContact CD1-CE2 3.53Å; L50-Y79 HydrophobicContact CD1-CG 3.61Å; R75-Y79 HydrophobicContact CG-CD2 4.15Å; R75-Y79 HydrophobicContact CG-CE2 4.03Å; R75-Y79 PolarHBondContact NH2-OH 3.39Å; R75-Y79 WeakPolarHBondContact O-CD2 3.44Å; R75-Y79 PolarHBondContact O-N 3.17Å; I76-Y79 PolarHBondContact O-N 3.05Å; Y79-G81 VanDerWaalsContact C-N 3.25Å; Y79-G81 PolarHBondContact O-N 3.34Å; Y79-K82 HydrophobicContact CD1-CD 3.76Å; Y79-K82 HydrophobicContact CE1-CD 4.05Å; Y79-K82 VanDerWaalsContact CE1-NZ 3.29Å; Y79-K82 PolarHBondContact O-N 3.47Å; Y79-T85 HydrophobicContact CD1-CG2 3.78Å; Y79-T85 WeakPolarHBondContact CD1-OG1 3.49Å; Y79-T85 HydrophobicContact CE1-CG2 4.09Å; Y79-T85 PolarHBondContact O-OG1 2.65Å; Y79-T85 VanDerWaalsContact O-OG1 3.09Å; Y79-I89 HydrophobicContact CD2-CD1 4.29Å; Y79-I89 HydrophobicContact CG-CD1 4.37Å |
| 80 | V | 90.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -32.6 | 169.2 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | I76 N77 K82 R86 I89 L90 L112 C119 | I76-V80 HydrophobicContact CG2-CG2 4.16Å; I76-V80 WeakPolarHBondContact O-CG2 3.2Å; I76-V80 PolarHBondContact O-N 3.08Å; N77-V80 PolarHBondContact O-N 3.46Å; V80-K82 VanDerWaalsContact C-N 3.34Å; V80-K82 PolarHBondContact O-N 2.84Å; V80-R86 PolarHBondContact O-NE 3.16Å; V80-I89 HydrophobicContact CB-CG2 4.45Å; V80-I89 HydrophobicContact CG2-CG2 3.66Å; V80-L90 HydrophobicContact CG2-CD2 4.34Å; V80-L112 HydrophobicContact CG2-CD1 4.01Å; V80-C119 HydrophobicContact CG1-CB 4.48Å |
| 81 | G | 86.4 | Confident | 91 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 55% | 0.546 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N77 E78 Y79 A83 R86 | N77-G81 PolarHBondContact O-N 2.88Å; E78-G81 PolarHBondContact O-N 3.01Å; Y79-G81 VanDerWaalsContact C-N 3.25Å; Y79-G81 PolarHBondContact O-N 3.34Å; G81-A83 PolarHBondContact O-N 3.41Å; G81-R86 PolarHBondContact O-NH2 2.94Å |
| 82 | K | 89.7 | Confident | 91 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -82.7 | 113.5 | -174.7 | -60.8 | 171.5 | -160.9 | 166.3 | 0 | 111.5 | E78 Y79 V80 A84 T85 R86 | E78-K82 WeakPolarHBondContact OE1-CE 3.12Å; E78-K82 IonicContact OE1-NZ 2.65Å; E78-K82 PolarHBondContact OE1-NZ 2.99Å; Y79-K82 HydrophobicContact CD1-CD 3.76Å; Y79-K82 HydrophobicContact CE1-CD 4.05Å; Y79-K82 VanDerWaalsContact CE1-NZ 3.29Å; Y79-K82 PolarHBondContact O-N 3.47Å; V80-K82 VanDerWaalsContact C-N 3.34Å; V80-K82 PolarHBondContact O-N 2.84Å; K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 2.64Å; K82-T85 WeakPolarHBondContact CB-OG1 3.37Å; K82-T85 PolarHBondContact O-N 3.24Å; K82-T85 PolarHBondContact O-OG1 3.47Å; K82-T85 VanDerWaalsContact O-OG1 3.09Å; K82-R86 PolarHBondContact O-N 2.94Å |
| 83 | A | 88.4 | Confident | 91.1 | Very high | 68 Ų | 68 | 34.6 Ų | 34.6 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -55.6 | -42 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G81 T85 R86 | G81-A83 PolarHBondContact O-N 3.41Å; A83-T85 VanDerWaalsContact C-N 3.31Å; A83-T85 PolarHBondContact O-N 3.47Å; A83-R86 WeakPolarHBondContact O-CB 3.32Å; A83-R86 PolarHBondContact O-N 3.46Å |
| 84 | A | 88.6 | Confident | 91.1 | Very high | 104 Ų | 104 | 34.3 Ų | 34.3 | 86% | 0.86 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -63.8 | -30.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K82 | K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 2.64Å |
| 85 | T | 90.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 33.1 Ų | 33.1 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -97.7 | -5.6 | 179.8 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | L50 Y79 K82 A83 L87 S88 I89 | L50-T85 HydrophobicContact CD1-CG2 4.49Å; Y79-T85 HydrophobicContact CD1-CG2 3.78Å; Y79-T85 WeakPolarHBondContact CD1-OG1 3.49Å; Y79-T85 HydrophobicContact CE1-CG2 4.09Å; Y79-T85 PolarHBondContact O-OG1 2.65Å; Y79-T85 VanDerWaalsContact O-OG1 3.09Å; K82-T85 WeakPolarHBondContact CB-OG1 3.37Å; K82-T85 PolarHBondContact O-N 3.24Å; K82-T85 PolarHBondContact O-OG1 3.47Å; K82-T85 VanDerWaalsContact O-OG1 3.09Å; A83-T85 VanDerWaalsContact C-N 3.31Å; A83-T85 PolarHBondContact O-N 3.47Å; T85-L87 PolarHBondContact O-N 3.37Å; T85-S88 PolarHBondContact O-N 2.86Å; T85-I89 PolarHBondContact O-N 3.46Å |
| 86 | R | 92 | Very high | 91 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | -165.7 | -167.5 | 175.7 | -66.9 | 141.5 | -3.5 | 112.9 | V80 G81 K82 A83 I89 L90 D123 V128 | V80-R86 PolarHBondContact O-NE 3.16Å; G81-R86 PolarHBondContact O-NH2 2.94Å; K82-R86 PolarHBondContact O-N 2.94Å; A83-R86 WeakPolarHBondContact O-CB 3.32Å; A83-R86 PolarHBondContact O-N 3.46Å; R86-I89 WeakPolarHBondContact O-CG2 3.41Å; R86-L90 HydrophobicContact CG-CD1 3.97Å; R86-L90 HydrophobicContact CG-CG 4.33Å; R86-L90 VanDerWaalsContact O-CB 3.28Å; R86-L90 WeakPolarHBondContact O-CB 3.32Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.28Å; R86-D123 WeakPolarHBondContact CD-OD2 3.33Å; R86-D123 IonicContact CZ-OD1 3.59Å; R86-D123 IonicContact CZ-OD2 2.7Å; R86-D123 IonicContact NE-OD2 3.42Å; R86-D123 IonicContact NH1-OD1 3.58Å; R86-D123 PolarHBondContact NH1-OD1 2.59Å; R86-D123 IonicContact NH1-OD2 3.97Å; R86-D123 PolarHBondContact NH1-OD2 2.71Å; R86-V128 HydrophobicContact CG-CG1 4.04Å |
| 87 | L | 92 | Very high | 90.9 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -51.1 | 177.8 | -176.7 | 53.1 | 0 | 0 | 0 | 111.3 | T85 I89 L90 S91 V127 V128 T131 L696 | T85-L87 PolarHBondContact O-N 3.37Å; L87-I89 PolarHBondContact O-N 3.35Å; L87-L90 PolarHBondContact O-N 2.86Å; L87-S91 WeakPolarHBondContact O-CB 3.42Å; L87-S91 PolarHBondContact O-N 3.15Å; L87-S91 PolarHBondContact O-OG 3.48Å; L87-S91 VanDerWaalsContact O-OG 3.08Å; L87-V127 HydrophobicContact CD1-CG1 3.87Å; L87-V127 HydrophobicContact CD2-CB 4.4Å; L87-V127 HydrophobicContact CD2-CG1 3.83Å; L87-V128 HydrophobicContact CB-CG2 4.05Å; L87-V128 HydrophobicContact CD1-CG2 4.5Å; L87-T131 HydrophobicContact CD1-CG2 4.5Å; L87-L696 HydrophobicContact CD1-CD2 4.21Å; L87-L696 HydrophobicContact CD2-CD2 3.77Å; L87-L696 HydrophobicContact CG-CD2 4.13Å |
| 88 | S | 91.7 | Very high | 90.8 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 179.6 | -47.6 | 0 | 0 | 0 | 0 | 112.8 | T85 S91 L92 | T85-S88 PolarHBondContact O-N 2.86Å; S88-S91 WeakPolarHBondContact O-CB 3.44Å; S88-S91 PolarHBondContact O-N 3.27Å; S88-L92 PolarHBondContact O-N 3.03Å |
| 89 | I | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.6 | -32.8 | 179.8 | -155.8 | 83.2 | 0 | 0 | 0 | 112.6 | V46 L50 I76 Y79 V80 T85 R86 L87 S91 L92 L93 | V46-I89 HydrophobicContact CG1-CD1 3.88Å; L50-I89 HydrophobicContact CD1-CD1 4.17Å; L50-I89 HydrophobicContact CD2-CB 4.31Å; L50-I89 HydrophobicContact CD2-CD1 4.04Å; L50-I89 HydrophobicContact CG-CD1 4.39Å; I76-I89 HydrophobicContact CB-CD1 4.49Å; I76-I89 HydrophobicContact CB-CG1 4.14Å; I76-I89 HydrophobicContact CG1-CD1 4.02Å; I76-I89 HydrophobicContact CG1-CG1 4.06Å; I76-I89 HydrophobicContact CG2-CG1 3.91Å; Y79-I89 HydrophobicContact CD2-CD1 4.29Å; Y79-I89 HydrophobicContact CG-CD1 4.37Å; V80-I89 HydrophobicContact CB-CG2 4.45Å; V80-I89 HydrophobicContact CG2-CG2 3.66Å; T85-I89 PolarHBondContact O-N 3.46Å; R86-I89 WeakPolarHBondContact O-CG2 3.41Å; L87-I89 PolarHBondContact O-N 3.35Å; I89-S91 VanDerWaalsContact C-N 3.32Å; I89-L92 HydrophobicContact CD1-CD2 3.91Å; I89-L92 PolarHBondContact O-N 2.86Å; I89-L93 VanDerWaalsContact O-CB 3.23Å; I89-L93 WeakPolarHBondContact O-CB 3.32Å; I89-L93 PolarHBondContact O-N 3.36Å |
| 90 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 170 | -73.6 | 175.2 | 0 | 0 | 0 | 111.1 | V80 R86 L87 L93 G94 L116 V128 T131 | V80-L90 HydrophobicContact CG2-CD2 4.34Å; R86-L90 HydrophobicContact CG-CD1 3.97Å; R86-L90 HydrophobicContact CG-CG 4.33Å; R86-L90 VanDerWaalsContact O-CB 3.28Å; R86-L90 WeakPolarHBondContact O-CB 3.32Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.28Å; L87-L90 PolarHBondContact O-N 2.86Å; L90-L93 HydrophobicContact CD2-CD2 4.39Å; L90-L93 PolarHBondContact O-N 3.13Å; L90-G94 PolarHBondContact O-N 3.23Å; L90-L116 HydrophobicContact CD2-CD1 3.58Å; L90-V128 HydrophobicContact CD1-CG1 3.89Å; L90-T131 HydrophobicContact CB-CG2 4.06Å |
| 91 | S | 91.8 | Very high | 90 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 171.8 | -64.3 | 0 | 0 | 0 | 0 | 112 | L87 S88 I89 G94 H95 | L87-S91 WeakPolarHBondContact O-CB 3.42Å; L87-S91 PolarHBondContact O-N 3.15Å; L87-S91 PolarHBondContact O-OG 3.48Å; L87-S91 VanDerWaalsContact O-OG 3.08Å; S88-S91 WeakPolarHBondContact O-CB 3.44Å; S88-S91 PolarHBondContact O-N 3.27Å; I89-S91 VanDerWaalsContact C-N 3.32Å; S91-G94 PolarHBondContact O-N 3.31Å; S91-H95 PolarHBondContact O-N 3.24Å; S91-H95 VanDerWaalsContact O-N 3.09Å; S91-H95 PolarHBondContact O-ND1 3.45Å |
| 92 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57 | -51.7 | 172.5 | 176.2 | 61.3 | 0 | 0 | 0 | 111.4 | V46 Y49 L58 L61 I76 S88 I89 G94 H95 V96 | V46-L92 HydrophobicContact CG1-CD2 4.37Å; V46-L92 HydrophobicContact CG2-CD2 4.43Å; Y49-L92 HydrophobicContact CD1-CB 4.29Å; Y49-L92 HydrophobicContact CD1-CD1 4.33Å; Y49-L92 HydrophobicContact CD1-CD2 4.05Å; Y49-L92 HydrophobicContact CD1-CG 4.45Å; Y49-L92 HydrophobicContact CE1-CB 3.67Å; Y49-L92 HydrophobicContact CE1-CD1 4.24Å; Y49-L92 HydrophobicContact CE1-CD2 4.3Å; Y49-L92 HydrophobicContact CE1-CG 4.28Å; L58-L92 HydrophobicContact CD1-CD1 3.46Å; L58-L92 VanDerWaalsContact CD1-CD1 3.46Å; L61-L92 HydrophobicContact CB-CD1 4.29Å; L61-L92 HydrophobicContact CD1-CD1 3.96Å; L61-L92 HydrophobicContact CD1-CD2 4.18Å; I76-L92 HydrophobicContact CD1-CD2 4.43Å; I76-L92 HydrophobicContact CG1-CD2 4.34Å; S88-L92 PolarHBondContact O-N 3.03Å; I89-L92 HydrophobicContact CD1-CD2 3.91Å; I89-L92 PolarHBondContact O-N 2.86Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 2.91Å; L92-H95 WeakPolarHBondContact O-CB 3.34Å; L92-H95 PolarHBondContact O-N 2.89Å; L92-V96 HydrophobicContact CD1-CG2 4.35Å; L92-V96 WeakPolarHBondContact O-CG2 3.28Å; L92-V96 PolarHBondContact O-N 3.47Å |
| 93 | L | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 179.4 | 178.7 | 54.8 | 0 | 0 | 0 | 111.5 | I76 I89 L90 H95 V96 I97 L112 V135 | I76-L93 HydrophobicContact CD1-CD1 4.37Å; I76-L93 HydrophobicContact CG2-CB 4.28Å; I76-L93 HydrophobicContact CG2-CD1 4.38Å; I76-L93 HydrophobicContact CG2-CD2 4.13Å; I76-L93 HydrophobicContact CG2-CG 4.49Å; I89-L93 VanDerWaalsContact O-CB 3.23Å; I89-L93 WeakPolarHBondContact O-CB 3.32Å; I89-L93 PolarHBondContact O-N 3.36Å; L90-L93 HydrophobicContact CD2-CD2 4.39Å; L90-L93 PolarHBondContact O-N 3.13Å; L93-H95 PolarHBondContact O-N 3.42Å; L93-V96 PolarHBondContact O-N 3.01Å; L93-I97 HydrophobicContact CD1-CD1 3.46Å; L93-I97 VanDerWaalsContact CD1-CD1 3.46Å; L93-I97 HydrophobicContact CD1-CG1 4Å; L93-I97 HydrophobicContact CD2-CD1 4.46Å; L93-I97 HydrophobicContact CG-CD1 3.57Å; L93-I97 WeakPolarHBondContact O-CB 3.4Å; L93-I97 WeakPolarHBondContact O-CD1 3.42Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 2.95Å; L93-L112 HydrophobicContact CD1-CD2 3.65Å; L93-L112 HydrophobicContact CD2-CD1 4.03Å; L93-L112 HydrophobicContact CD2-CD2 3.86Å; L93-L112 HydrophobicContact CD2-CG 4.17Å; L93-L112 HydrophobicContact CG-CD2 4.41Å; L93-V135 HydrophobicContact CD2-CG1 4.13Å; L93-V135 HydrophobicContact CG-CG1 4.12Å |
| 94 | G | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | L90 S91 L92 R98 | L90-G94 PolarHBondContact O-N 3.23Å; S91-G94 PolarHBondContact O-N 3.31Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 2.91Å; G94-R98 WeakPolarHBondContact O-CB 3.4Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.25Å; G94-R98 PolarHBondContact O-N 3.17Å; G94-R98 VanDerWaalsContact O-N 3.12Å; G94-R98 PolarHBondContact O-NE 3.08Å; G94-R98 PolarHBondContact O-NH1 3.33Å |
| 95 | H | 89.7 | Confident | 89.4 | Confident | 41 Ų | 41 | 30.8 Ų | 30.8 | 19% | 0.19 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 174.8 | -76 | 90.2 | 0 | 0 | 0 | 111.6 | L58 T62 S91 L92 L93 R98 | L58-H95 HydrophobicContact CD1-CB 3.97Å; T62-H95 HydrophobicContact CG2-CB 4.19Å; S91-H95 PolarHBondContact O-N 3.24Å; S91-H95 VanDerWaalsContact O-N 3.09Å; S91-H95 PolarHBondContact O-ND1 3.45Å; L92-H95 WeakPolarHBondContact O-CB 3.34Å; L92-H95 PolarHBondContact O-N 2.89Å; L93-H95 PolarHBondContact O-N 3.42Å; H95-R98 PolarHBondContact CD2-NH2 2.6Å; H95-R98 PolarHBondContact CE1-NH2 3.04Å; H95-R98 VanDerWaalsContact CE1-NH2 3.29Å; H95-R98 PolarHBondContact ND1-NH2 2.91Å; H95-R98 PolarHBondContact NE2-NH2 3.17Å; H95-R98 VanDerWaalsContact NE2-NH2 3.19Å |
| 96 | V | 90.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | T62 L72 L92 L93 R98 L99 P101 W103 | T62-V96 HydrophobicContact CG2-CG2 4.01Å; L72-V96 HydrophobicContact CD2-CG1 4.39Å; L72-V96 HydrophobicContact CD2-CG2 4.47Å; L92-V96 HydrophobicContact CD1-CG2 4.35Å; L92-V96 WeakPolarHBondContact O-CG2 3.28Å; L92-V96 PolarHBondContact O-N 3.47Å; L93-V96 PolarHBondContact O-N 3.01Å; V96-R98 PolarHBondContact O-N 2.96Å; V96-L99 PolarHBondContact O-N 3.25Å; V96-P101 HydrophobicContact CG1-CG 4.43Å; V96-P101 WeakPolarHBondContact O-CD 3.41Å; V96-W103 HydrophobicContact CG1-CH2 3.53Å; V96-W103 HydrophobicContact CG1-CZ2 4.09Å; V96-W103 HydrophobicContact CG1-CZ3 4.43Å |
| 97 | I | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | -178 | -69.8 | 157.5 | 0 | 0 | 0 | 112.1 | L93 L99 Q100 L107 V135 T138 M139 M142 | L93-I97 HydrophobicContact CD1-CD1 3.46Å; L93-I97 VanDerWaalsContact CD1-CD1 3.46Å; L93-I97 HydrophobicContact CD1-CG1 4Å; L93-I97 HydrophobicContact CD2-CD1 4.46Å; L93-I97 HydrophobicContact CG-CD1 3.57Å; L93-I97 WeakPolarHBondContact O-CB 3.4Å; L93-I97 WeakPolarHBondContact O-CD1 3.42Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 2.95Å; I97-L99 PolarHBondContact O-N 2.89Å; I97-L99 VanDerWaalsContact O-N 3.12Å; I97-Q100 PolarHBondContact O-N 3.39Å; I97-L107 HydrophobicContact CG1-CD1 4.24Å; I97-V135 HydrophobicContact CD1-CG1 3.69Å; I97-T138 WeakPolarHBondContact CG2-OG1 3.4Å; I97-M139 HydrophobicContact CD1-CG 3.49Å; I97-M139 VanDerWaalsContact CD1-CG 3.49Å; I97-M139 HydrophobicContact CD1-SD 3.63Å; I97-M139 HydrophobicContact CG1-CG 4.17Å; I97-M139 HydrophobicContact CG2-CG 3.98Å; I97-M142 HydrophobicContact CG2-CE 3.97Å; I97-M142 HydrophobicContact CG2-SD 3.65Å |
| 98 | R | 89.8 | Confident | 88.4 | Confident | 37 Ų | 37 | 29.4 Ų | 29.4 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -25.4 | -177.8 | -76.7 | -176.3 | -61 | -99.3 | 3.7 | 113.4 | G94 H95 V96 T138 L703 F707 | G94-R98 WeakPolarHBondContact O-CB 3.4Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.25Å; G94-R98 PolarHBondContact O-N 3.17Å; G94-R98 VanDerWaalsContact O-N 3.12Å; G94-R98 PolarHBondContact O-NE 3.08Å; G94-R98 PolarHBondContact O-NH1 3.33Å; H95-R98 PolarHBondContact CD2-NH2 2.6Å; H95-R98 PolarHBondContact CE1-NH2 3.04Å; H95-R98 VanDerWaalsContact CE1-NH2 3.29Å; H95-R98 PolarHBondContact ND1-NH2 2.91Å; H95-R98 PolarHBondContact NE2-NH2 3.17Å; H95-R98 VanDerWaalsContact NE2-NH2 3.19Å; V96-R98 PolarHBondContact O-N 2.96Å; R98-T138 HydrophobicContact CG-CG2 4.29Å; R98-L703 WeakPolarHBondContact CD-O 3.42Å; R98-F707 HydrophobicContact CB-CD2 4.15Å; R98-F707 HydrophobicContact CG-CB 4.08Å; R98-F707 HydrophobicContact CG-CD2 3.98Å; R98-F707 HydrophobicContact CG-CG 4.28Å |
| 99 | L | 85.3 | Confident | 88 | Confident | 103 Ų | 103 | 34.5 Ų | 34.5 | 54% | 0.539 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.2 | 177.2 | -69.6 | 165.5 | 0 | 0 | 0 | 113.9 | T62 V96 I97 | T62-L99 VanDerWaalsContact CB-CD1 3.48Å; T62-L99 HydrophobicContact CG2-CD1 3.73Å; V96-L99 PolarHBondContact O-N 3.25Å; I97-L99 PolarHBondContact O-N 2.89Å; I97-L99 VanDerWaalsContact O-N 3.12Å |
| 100 | Q | 84.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | trans | 52.9 | 70.2 | -179.2 | -61.6 | -168.2 | 31.3 | 0 | 0 | 114.4 | I97 K104 M142 | I97-Q100 PolarHBondContact O-N 3.39Å; Q100-K104 HydrophobicContact CB-CD 4.23Å; Q100-M142 HydrophobicContact CB-CE 4.42Å; Q100-M142 HydrophobicContact CG-CE 4.06Å; Q100-M142 HydrophobicContact CG-SD 3.99Å | ||
| 101 | P | 85.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | trans | -58 | 155.4 | 175.5 | 25 | -35.3 | 0 | 0 | 0 | 112.5 | V96 W103 K104 | V96-P101 HydrophobicContact CG1-CG 4.43Å; V96-P101 WeakPolarHBondContact O-CD 3.41Å; P101-W103 HydrophobicContact CB-CD2 3.68Å; P101-W103 VanDerWaalsContact CB-CE2 3.41Å; P101-W103 HydrophobicContact CB-CE3 4.21Å; P101-W103 HydrophobicContact CB-CG 4.1Å; P101-W103 HydrophobicContact CB-CH2 4.32Å; P101-W103 HydrophobicContact CB-CZ2 3.77Å; P101-W103 HydrophobicContact CG-CD2 3.89Å; P101-W103 HydrophobicContact CG-CE3 3.89Å; P101-W103 HydrophobicContact CG-CH2 3.92Å; P101-W103 HydrophobicContact CG-CZ2 3.89Å; P101-W103 HydrophobicContact CG-CZ3 3.9Å; P101-W103 PolarHBondContact O-N 3.16Å; P101-K104 HydrophobicContact CG-CB 4.48Å; P101-K104 WeakPolarHBondContact O-CB 3.47Å; P101-K104 VanDerWaalsContact O-CG 3.26Å; P101-K104 WeakPolarHBondContact O-CG 3.13Å; P101-K104 PolarHBondContact O-N 3.48Å | ||
| 102 | S | 84.6 | Confident | 87 | Confident | 85 Ų | 85 | 37.5 Ų | 37.5 | 59% | 0.594 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -53.8 | -42.5 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | E66 K104 H105 | E66-S102 PolarHBondContact OE1-OG 3.32Å; S102-K104 PolarHBondContact O-N 2.75Å; S102-K104 VanDerWaalsContact O-N 3.16Å; S102-H105 PolarHBondContact O-ND1 3.02Å; S102-H105 VanDerWaalsContact O-ND1 3.1Å |
| 103 | W | 87.7 | Confident | 86.9 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -75.2 | 9.6 | 178.7 | 47.4 | -98.7 | 0 | 0 | 0 | 114.2 | L64 E66 D69 L72 L73 V96 P101 H105 K106 L107 | L64-W103 PolarHBondContact O-NE1 3.42Å; E66-W103 HydrophobicContact CG-CB 3.9Å; E66-W103 HydrophobicContact CG-CG 4.17Å; D69-W103 HydrophobicContact CB-CB 3.97Å; D69-W103 HydrophobicContact CB-CD2 3.37Å; D69-W103 HydrophobicContact CB-CE3 3.89Å; D69-W103 HydrophobicContact CB-CG 3.42Å; D69-W103 VanDerWaalsContact CB-CG 3.42Å; D69-W103 HydrophobicContact CB-CZ2 4.2Å; D69-W103 HydrophobicContact CB-CZ3 4.47Å; L72-W103 HydrophobicContact CD2-CH2 3.81Å; L72-W103 HydrophobicContact CD2-CZ2 3.98Å; L73-W103 HydrophobicContact CD1-CE3 4.23Å; L73-W103 HydrophobicContact CD1-CZ3 3.97Å; L73-W103 HydrophobicContact CD2-CZ3 4.14Å; L73-W103 HydrophobicContact CG-CZ3 4.15Å; V96-W103 HydrophobicContact CG1-CH2 3.53Å; V96-W103 HydrophobicContact CG1-CZ2 4.09Å; V96-W103 HydrophobicContact CG1-CZ3 4.43Å; P101-W103 HydrophobicContact CB-CD2 3.68Å; P101-W103 VanDerWaalsContact CB-CE2 3.41Å; P101-W103 HydrophobicContact CB-CE3 4.21Å; P101-W103 HydrophobicContact CB-CG 4.1Å; P101-W103 HydrophobicContact CB-CH2 4.32Å; P101-W103 HydrophobicContact CB-CZ2 3.77Å; P101-W103 HydrophobicContact CG-CD2 3.89Å; P101-W103 HydrophobicContact CG-CE3 3.89Å; P101-W103 HydrophobicContact CG-CH2 3.92Å; P101-W103 HydrophobicContact CG-CZ2 3.89Å; P101-W103 HydrophobicContact CG-CZ3 3.9Å; P101-W103 PolarHBondContact O-N 3.16Å; W103-H105 PolarHBondContact O-N 3.44Å; W103-K106 HydrophobicContact CB-CD 4.2Å; W103-K106 WeakPolarHBondContact O-CB 3.38Å; W103-K106 PolarHBondContact O-N 3.17Å; W103-L107 HydrophobicContact CZ3-CD2 4.06Å |
| 104 | K | 86.6 | Confident | 86.8 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -51.7 | -27.3 | 177.9 | 63 | 178 | 174.1 | 172.7 | 0 | 114.4 | Q100 P101 S102 K106 L107 M142 T252 | Q100-K104 HydrophobicContact CB-CD 4.23Å; P101-K104 HydrophobicContact CG-CB 4.48Å; P101-K104 WeakPolarHBondContact O-CB 3.47Å; P101-K104 VanDerWaalsContact O-CG 3.26Å; P101-K104 WeakPolarHBondContact O-CG 3.13Å; P101-K104 PolarHBondContact O-N 3.48Å; S102-K104 PolarHBondContact O-N 2.75Å; S102-K104 VanDerWaalsContact O-N 3.16Å; K104-K106 PolarHBondContact O-N 3.32Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 WeakPolarHBondContact O-CB 3.49Å; K104-L107 WeakPolarHBondContact O-CD1 3.34Å; K104-L107 WeakPolarHBondContact O-CG 3.26Å; K104-L107 PolarHBondContact O-N 2.76Å; K104-M142 HydrophobicContact CB-CE 3.53Å; K104-M142 HydrophobicContact CD-CE 3.86Å; K104-M142 HydrophobicContact CD-CG 4.33Å; K104-M142 HydrophobicContact CG-CE 4.33Å; K104-T252 PolarHBondContact NZ-OG1 2.87Å |
| 105 | H | 83.4 | Confident | 86.9 | Confident | 103 Ų | 103 | 42 Ų | 42 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -65.6 | -18.3 | 176.4 | 64 | -91 | 0 | 0 | 0 | 114 | S102 W103 | S102-H105 PolarHBondContact O-ND1 3.02Å; S102-H105 VanDerWaalsContact O-ND1 3.1Å; W103-H105 PolarHBondContact O-N 3.44Å |
| 106 | K | 85.5 | Confident | 87 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -90.2 | -9.4 | 177.5 | -52.2 | -179.7 | -165.7 | 172.5 | 0 | 113.7 | E66 D69 W103 K104 S108 Q109 A110 | E66-K106 WeakPolarHBondContact OE2-CE 3.46Å; E66-K106 IonicContact OE2-NZ 2.86Å; E66-K106 PolarHBondContact OE2-NZ 3.3Å; D69-K106 IonicContact OD1-NZ 2.93Å; D69-K106 WeakPolarHBondContact OD2-CD 3.38Å; D69-K106 WeakPolarHBondContact OD2-CE 3.5Å; D69-K106 IonicContact OD2-NZ 3.17Å; D69-K106 PolarHBondContact OD2-NZ 3.36Å; W103-K106 HydrophobicContact CB-CD 4.2Å; W103-K106 WeakPolarHBondContact O-CB 3.38Å; W103-K106 PolarHBondContact O-N 3.17Å; K104-K106 PolarHBondContact O-N 3.32Å; K106-S108 PolarHBondContact O-N 3.16Å; K106-S108 VanDerWaalsContact O-N 3.09Å; K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 2.78Å; K106-A110 PolarHBondContact O-N 3.46Å |
| 107 | L | 85.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.9 | -177.5 | -73.1 | 171.2 | 0 | 0 | 0 | 113.8 | L73 I97 W103 K104 M139 M142 I143 | L73-L107 HydrophobicContact CD1-CD2 4.47Å; L73-L107 HydrophobicContact CD2-CD2 3.71Å; I97-L107 HydrophobicContact CG1-CD1 4.24Å; W103-L107 HydrophobicContact CZ3-CD2 4.06Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 WeakPolarHBondContact O-CB 3.49Å; K104-L107 WeakPolarHBondContact O-CD1 3.34Å; K104-L107 WeakPolarHBondContact O-CG 3.26Å; K104-L107 PolarHBondContact O-N 2.76Å; L107-M139 HydrophobicContact CB-CE 3.93Å; L107-M139 HydrophobicContact CD1-CE 4.5Å; L107-M142 HydrophobicContact CD1-CE 3.9Å; L107-I143 HydrophobicContact CB-CG2 4.27Å |
| 108 | S | 82.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -8.6 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | K106 S146 | K106-S108 PolarHBondContact O-N 3.16Å; K106-S108 VanDerWaalsContact O-N 3.09Å; S108-S146 WeakPolarHBondContact CB-OG 3.49Å; S108-S146 PolarHBondContact OG-OG 3.08Å |
| 109 | Q | 81.8 | Confident | 87.4 | Confident | 150 Ų | 150 | 44.8 Ų | 44.8 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -29.8 | 171.9 | -59.5 | 179.5 | -2.7 | 0 | 0 | 111 | K106 | K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 2.78Å |
| 110 | A | 82.7 | Confident | 87.9 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -69.8 | 147.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L73 K106 L112 | L73-A110 HydrophobicContact CB-CB 4.11Å; L73-A110 HydrophobicContact CD1-CB 4.07Å; K106-A110 PolarHBondContact O-N 3.46Å; A110-L112 HydrophobicContact CB-CB 4.31Å; A110-L112 PolarHBondContact O-N 3.49Å |
| 111 | P | 86.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -5.9 | 177.1 | 27.8 | -36.2 | 0 | 0 | 0 | 114 | N77 L113 P114 S115 | N77-P111 PolarHBondContact OD1-O 3.17Å; P111-L113 PolarHBondContact O-N 2.86Å; P111-P114 WeakPolarHBondContact O-CD 3.49Å; P111-S115 PolarHBondContact O-N 2.97Å; P111-S115 PolarHBondContact O-OG 3.01Å |
| 112 | L | 89.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | -178.8 | -178.6 | 57.6 | 0 | 0 | 0 | 113.9 | L73 I76 N77 V80 L93 A110 S115 L116 | L73-L112 HydrophobicContact CD2-CD2 3.53Å; I76-L112 HydrophobicContact CG2-CD1 3.63Å; I76-L112 HydrophobicContact CG2-CD2 3.92Å; I76-L112 HydrophobicContact CG2-CG 4.45Å; N77-L112 HydrophobicContact CB-CB 4.43Å; N77-L112 HydrophobicContact CB-CD1 4.28Å; V80-L112 HydrophobicContact CG2-CD1 4.01Å; L93-L112 HydrophobicContact CD1-CD2 3.65Å; L93-L112 HydrophobicContact CD2-CD1 4.03Å; L93-L112 HydrophobicContact CD2-CD2 3.86Å; L93-L112 HydrophobicContact CD2-CG 4.17Å; L93-L112 HydrophobicContact CG-CD2 4.41Å; A110-L112 HydrophobicContact CB-CB 4.31Å; A110-L112 PolarHBondContact O-N 3.49Å; L112-S115 PolarHBondContact O-N 3.23Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 PolarHBondContact O-N 2.87Å |
| 113 | L | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -51.9 | -179.9 | 174.4 | 65.7 | 0 | 0 | 0 | 111.5 | P111 S115 L116 L117 L136 M139 I143 | P111-L113 PolarHBondContact O-N 2.86Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.19Å; L113-L116 PolarHBondContact O-N 3.3Å; L113-L117 HydrophobicContact CD1-CD1 4Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CG-CD1 3.98Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.84Å; L113-L136 HydrophobicContact CD1-CD1 4.42Å; L113-M139 HydrophobicContact CD1-CE 4.28Å; L113-I143 HydrophobicContact CD1-CD1 4.36Å; L113-I143 HydrophobicContact CD2-CD1 3.65Å |
| 114 | P | 90.9 | Very high | 89 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -50.7 | -41.1 | 168.6 | -30.4 | 34.5 | 0 | 0 | 0 | 114.5 | P111 L117 K118 | P111-P114 WeakPolarHBondContact O-CD 3.49Å; P114-L117 PolarHBondContact O-N 3.39Å; P114-K118 VanDerWaalsContact O-CB 3.29Å; P114-K118 WeakPolarHBondContact O-CB 3.41Å; P114-K118 PolarHBondContact O-N 3.41Å |
| 115 | S | 92.1 | Very high | 89.2 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | N77 P111 L112 L113 K118 C119 | N77-S115 VanDerWaalsContact OD1-CB 3.23Å; N77-S115 WeakPolarHBondContact OD1-CB 3.11Å; N77-S115 PolarHBondContact OD1-OG 3.35Å; P111-S115 PolarHBondContact O-N 2.97Å; P111-S115 PolarHBondContact O-OG 3.01Å; L112-S115 PolarHBondContact O-N 3.23Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.19Å; S115-K118 PolarHBondContact O-N 2.82Å; S115-C119 WeakPolarHBondContact O-CB 3.29Å; S115-C119 PolarHBondContact O-N 3.33Å |
| 116 | L | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.1 | 175.3 | 62.8 | 0 | 0 | 0 | 111.1 | L90 L112 L113 C119 L120 V135 L136 M139 | L90-L116 HydrophobicContact CD2-CD1 3.58Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 PolarHBondContact O-N 2.87Å; L113-L116 PolarHBondContact O-N 3.3Å; L116-C119 VanDerWaalsContact O-CB 3.3Å; L116-C119 WeakPolarHBondContact O-CB 3.42Å; L116-C119 PolarHBondContact O-N 3.25Å; L116-L120 HydrophobicContact CD1-CD1 4.35Å; L116-L120 HydrophobicContact CD1-CG 4.43Å; L116-L120 HydrophobicContact CG-CD1 4.36Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 3.37Å; L116-V135 HydrophobicContact CD2-CG1 3.95Å; L116-L136 HydrophobicContact CD2-CB 4.41Å; L116-M139 HydrophobicContact CD2-SD 3.97Å |
| 117 | L | 93 | Very high | 89.9 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.7 | -63.7 | 170.1 | 0 | 0 | 0 | 111.6 | L113 P114 L120 K121 L136 H150 D153 F154 I157 | L113-L117 HydrophobicContact CD1-CD1 4Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CG-CD1 3.98Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.84Å; P114-L117 PolarHBondContact O-N 3.39Å; L117-L120 PolarHBondContact O-N 3.21Å; L117-K121 WeakPolarHBondContact O-CB 3.06Å; L117-K121 WeakPolarHBondContact O-CG 3.46Å; L117-K121 PolarHBondContact O-N 3.48Å; L117-L136 HydrophobicContact CD2-CD1 4.17Å; L117-L136 HydrophobicContact CD2-CD2 4.21Å; L117-H150 HydrophobicContact CD1-CB 3.74Å; L117-D153 HydrophobicContact CD1-CB 4.01Å; L117-D153 HydrophobicContact CD2-CB 4.4Å; L117-F154 HydrophobicContact CD1-CE1 4.07Å; L117-F154 HydrophobicContact CD2-CD1 3.63Å; L117-F154 HydrophobicContact CD2-CE1 3.74Å; L117-I157 HydrophobicContact CB-CD1 4.2Å; L117-I157 HydrophobicContact CD2-CD1 3.4Å; L117-I157 VanDerWaalsContact CD2-CD1 3.4Å; L117-I157 HydrophobicContact CG-CD1 4.41Å |
| 118 | K | 93.2 | Very high | 90.3 | Very high | 133 Ų | 133 | 41.6 Ų | 41.6 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.8 | -40.5 | 174 | -169.2 | -179.4 | -177.6 | -177.7 | 0 | 112.2 | P114 S115 K121 M122 | P114-K118 VanDerWaalsContact O-CB 3.29Å; P114-K118 WeakPolarHBondContact O-CB 3.41Å; P114-K118 PolarHBondContact O-N 3.41Å; S115-K118 PolarHBondContact O-N 2.82Å; K118-K121 PolarHBondContact O-N 3.48Å; K118-M122 HydrophobicContact CD-CE 4.28Å; K118-M122 HydrophobicContact CD-SD 4.37Å; K118-M122 HydrophobicContact CG-CE 3.84Å; K118-M122 HydrophobicContact CG-CG 4.4Å; K118-M122 HydrophobicContact CG-SD 3.8Å; K118-M122 WeakPolarHBondContact O-CB 3.39Å; K118-M122 VanDerWaalsContact O-CG 3.28Å; K118-M122 WeakPolarHBondContact O-CG 3.5Å; K118-M122 PolarHBondContact O-N 2.88Å; K118-M122 VanDerWaalsContact O-N 3.1Å |
| 119 | C | 93.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.2 | -56.6 | 168.5 | 154.8 | 0 | 0 | 0 | 0 | 110.5 | V80 S115 L116 K121 M122 D123 | V80-C119 HydrophobicContact CG1-CB 4.48Å; S115-C119 WeakPolarHBondContact O-CB 3.29Å; S115-C119 PolarHBondContact O-N 3.33Å; L116-C119 VanDerWaalsContact O-CB 3.3Å; L116-C119 WeakPolarHBondContact O-CB 3.42Å; L116-C119 PolarHBondContact O-N 3.25Å; C119-K121 VanDerWaalsContact C-N 3.28Å; C119-K121 PolarHBondContact O-N 3.39Å; C119-M122 PolarHBondContact O-N 2.86Å; C119-M122 VanDerWaalsContact O-N 3.13Å; C119-D123 WeakPolarHBondContact O-CB 3.44Å; C119-D123 PolarHBondContact O-N 2.88Å; C119-D123 PolarHBondContact SG-OD2 3.13Å |
| 120 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -27.7 | -178.5 | -68.2 | 178.5 | 0 | 0 | 0 | 114.2 | L116 L117 L129 V133 L136 I157 R160 | L116-L120 HydrophobicContact CD1-CD1 4.35Å; L116-L120 HydrophobicContact CD1-CG 4.43Å; L116-L120 HydrophobicContact CG-CD1 4.36Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 3.37Å; L117-L120 PolarHBondContact O-N 3.21Å; L120-L129 HydrophobicContact CD2-CD2 3.79Å; L120-V133 HydrophobicContact CD1-CG2 4.46Å; L120-V133 HydrophobicContact CD2-CG2 3.91Å; L120-L136 HydrophobicContact CD1-CB 4.17Å; L120-L136 HydrophobicContact CD1-CD2 3.81Å; L120-I157 HydrophobicContact CB-CD1 3.68Å; L120-I157 HydrophobicContact CB-CG1 3.93Å; L120-I157 HydrophobicContact CB-CG2 4.04Å; L120-I157 HydrophobicContact CD1-CD1 4.22Å; L120-I157 HydrophobicContact CD1-CG2 4.32Å; L120-R160 PolarHBondContact O-NH1 3.38Å |
| 121 | K | 93.5 | Very high | 92 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -81 | -20.4 | 174.6 | -78.9 | -172.9 | 162.1 | -171.8 | 0 | 114.9 | L117 K118 C119 D153 D156 I157 R160 | L117-K121 WeakPolarHBondContact O-CB 3.06Å; L117-K121 WeakPolarHBondContact O-CG 3.46Å; L117-K121 PolarHBondContact O-N 3.48Å; K118-K121 PolarHBondContact O-N 3.48Å; C119-K121 VanDerWaalsContact C-N 3.28Å; C119-K121 PolarHBondContact O-N 3.39Å; K121-D153 WeakPolarHBondContact CE-OD1 3.37Å; K121-D153 IonicContact NZ-OD1 3.37Å; K121-D153 PolarHBondContact NZ-OD1 2.97Å; K121-D156 VanDerWaalsContact CE-CB 3.41Å; K121-D156 WeakPolarHBondContact CE-OD2 3.39Å; K121-D156 IonicContact NZ-OD2 3.56Å; K121-D156 PolarHBondContact NZ-OD2 3.46Å; K121-I157 HydrophobicContact CG-CD1 4.24Å; K121-I157 HydrophobicContact CG-CG1 3.68Å; K121-R160 VanDerWaalsContact O-CZ 3.24Å; K121-R160 PolarHBondContact O-NE 3.1Å |
| 122 | M | 91.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 29.9 Ų | 29.9 | 53% | 0.527 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -116.6 | -35.4 | -173.1 | -61.6 | -172.6 | -31.5 | 0 | 0 | 114.8 | K118 C119 R160 | K118-M122 HydrophobicContact CD-CE 4.28Å; K118-M122 HydrophobicContact CD-SD 4.37Å; K118-M122 HydrophobicContact CG-CE 3.84Å; K118-M122 HydrophobicContact CG-CG 4.4Å; K118-M122 HydrophobicContact CG-SD 3.8Å; K118-M122 WeakPolarHBondContact O-CB 3.39Å; K118-M122 VanDerWaalsContact O-CG 3.28Å; K118-M122 WeakPolarHBondContact O-CG 3.5Å; K118-M122 PolarHBondContact O-N 2.88Å; K118-M122 VanDerWaalsContact O-N 3.1Å; C119-M122 PolarHBondContact O-N 2.86Å; C119-M122 VanDerWaalsContact O-N 3.13Å; M122-R160 VanDerWaalsContact C-NH2 3.3Å; M122-R160 PolarHBondContact O-NH2 3.28Å; M122-R160 VanDerWaalsContact O-NH2 3.11Å |
| 123 | D | 91.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | -68.8 | 161.9 | -167.8 | -80.6 | -11.7 | 0 | 0 | 0 | 114 | R86 C119 V128 L129 R160 | R86-D123 WeakPolarHBondContact CD-OD2 3.33Å; R86-D123 IonicContact CZ-OD1 3.59Å; R86-D123 IonicContact CZ-OD2 2.7Å; R86-D123 IonicContact NE-OD2 3.42Å; R86-D123 IonicContact NH1-OD1 3.58Å; R86-D123 PolarHBondContact NH1-OD1 2.59Å; R86-D123 IonicContact NH1-OD2 3.97Å; R86-D123 PolarHBondContact NH1-OD2 2.71Å; C119-D123 WeakPolarHBondContact O-CB 3.44Å; C119-D123 PolarHBondContact O-N 2.88Å; C119-D123 PolarHBondContact SG-OD2 3.13Å; D123-V128 WeakPolarHBondContact OD2-CG1 3.35Å; D123-L129 HydrophobicContact CB-CD2 4.01Å; D123-L129 HydrophobicContact CB-CG 4.25Å; D123-L129 WeakPolarHBondContact O-CD1 3.17Å; D123-R160 VanDerWaalsContact O-CZ 3.3Å; D123-R160 PolarHBondContact O-NH1 3.06Å; D123-R160 PolarHBondContact O-NH2 2.88Å | ||
| 124 | T | 90.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 30.3 Ų | 30.3 | 68% | 0.681 | 16% | 0.162 | S | C | * | . | trans | -125.2 | -4.5 | -176.7 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | W164 | T124-W164 VanDerWaalsContact O-CH2 3.28Å; T124-W164 WeakPolarHBondContact O-CH2 3.4Å; T124-W164 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 125 | D | 89.9 | Confident | 93.1 | Very high | 67 Ų | 67 | 27.6 Ų | 27.6 | 36% | 0.358 | 14% | 0.144 | S | C | . | . | trans | -84.5 | 119.2 | 175 | 179.9 | -22.4 | 0 | 0 | 0 | 109.6 | V127 V128 L129 | D125-V127 VanDerWaalsContact C-N 3.31Å; D125-V127 PolarHBondContact O-N 3.2Å; D125-V127 WeakPolarHBondContact OD1-CA 3.44Å; D125-V127 WeakPolarHBondContact OD1-CB 3.42Å; D125-V127 PolarHBondContact OD1-N 3.16Å; D125-V128 HydrophobicContact CB-CB 3.96Å; D125-V128 HydrophobicContact CB-CG2 3.95Å; D125-V128 PolarHBondContact O-N 2.97Å; D125-V128 PolarHBondContact OD1-N 3.43Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 VanDerWaalsContact O-CG 3.27Å; D125-L129 WeakPolarHBondContact O-CG 3.46Å; D125-L129 PolarHBondContact O-N 2.86Å | ||
| 126 | V | 91.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -32.6 | -178.1 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | T130 W164 V172 Y176 L180 | V126-T130 WeakPolarHBondContact O-CB 3.38Å; V126-T130 PolarHBondContact O-N 2.87Å; V126-T130 PolarHBondContact O-OG1 2.92Å; V126-W164 HydrophobicContact CB-CH2 4.28Å; V126-W164 HydrophobicContact CB-CZ3 4.33Å; V126-W164 HydrophobicContact CG1-CZ3 4.44Å; V126-W164 HydrophobicContact CG2-CH2 3.44Å; V126-W164 VanDerWaalsContact CG2-CH2 3.44Å; V126-W164 HydrophobicContact CG2-CZ2 4.38Å; V126-W164 HydrophobicContact CG2-CZ3 3.77Å; V126-V172 HydrophobicContact CG2-CB 4.32Å; V126-V172 HydrophobicContact CG2-CG1 3.67Å; V126-V172 HydrophobicContact CG2-CG2 3.61Å; V126-Y176 HydrophobicContact CB-CD2 4.33Å; V126-L180 HydrophobicContact CG1-CB 3.94Å; V126-L180 HydrophobicContact CG1-CD2 4.32Å; V126-L180 HydrophobicContact CG1-CG 4.48Å |
| 127 | V | 92.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.4 | -44.1 | 179.9 | -167.6 | 0 | 0 | 0 | 0 | 109.8 | L87 D125 T131 Y176 D693 L696 L697 | L87-V127 HydrophobicContact CD1-CG1 3.87Å; L87-V127 HydrophobicContact CD2-CB 4.4Å; L87-V127 HydrophobicContact CD2-CG1 3.83Å; D125-V127 VanDerWaalsContact C-N 3.31Å; D125-V127 PolarHBondContact O-N 3.2Å; D125-V127 WeakPolarHBondContact OD1-CA 3.44Å; D125-V127 WeakPolarHBondContact OD1-CB 3.42Å; D125-V127 PolarHBondContact OD1-N 3.16Å; V127-T131 VanDerWaalsContact O-CB 3.29Å; V127-T131 WeakPolarHBondContact O-CB 3.42Å; V127-T131 PolarHBondContact O-N 3.37Å; V127-T131 PolarHBondContact O-OG1 3.28Å; V127-Y176 HydrophobicContact CG2-CE2 4.41Å; V127-D693 HydrophobicContact CG2-CB 4.12Å; V127-L696 HydrophobicContact CG1-CD2 4.06Å; V127-L696 HydrophobicContact CG1-CG 4.49Å; V127-L697 HydrophobicContact CG1-CD2 4.27Å; V127-L697 HydrophobicContact CG1-CG 4.29Å; V127-L697 HydrophobicContact CG2-CD1 4.41Å |
| 128 | V | 93.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 172.3 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | R86 L87 L90 D123 D125 T131 G132 | R86-V128 HydrophobicContact CG-CG1 4.04Å; L87-V128 HydrophobicContact CB-CG2 4.05Å; L87-V128 HydrophobicContact CD1-CG2 4.5Å; L90-V128 HydrophobicContact CD1-CG1 3.89Å; D123-V128 WeakPolarHBondContact OD2-CG1 3.35Å; D125-V128 HydrophobicContact CB-CB 3.96Å; D125-V128 HydrophobicContact CB-CG2 3.95Å; D125-V128 PolarHBondContact O-N 2.97Å; D125-V128 PolarHBondContact OD1-N 3.43Å; V128-T131 PolarHBondContact O-N 2.85Å; V128-G132 PolarHBondContact O-N 3.04Å |
| 129 | L | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | -177.8 | -72.9 | 170.6 | 0 | 0 | 0 | 112.2 | L120 D123 D125 T131 G132 V133 L161 W164 | L120-L129 HydrophobicContact CD2-CD2 3.79Å; D123-L129 HydrophobicContact CB-CD2 4.01Å; D123-L129 HydrophobicContact CB-CG 4.25Å; D123-L129 WeakPolarHBondContact O-CD1 3.17Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 VanDerWaalsContact O-CG 3.27Å; D125-L129 WeakPolarHBondContact O-CG 3.46Å; D125-L129 PolarHBondContact O-N 2.86Å; L129-T131 VanDerWaalsContact C-N 3.34Å; L129-T131 PolarHBondContact O-N 2.91Å; L129-G132 PolarHBondContact O-N 3.4Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 VanDerWaalsContact O-CG2 3.24Å; L129-V133 WeakPolarHBondContact O-CG2 3.2Å; L129-V133 PolarHBondContact O-N 2.66Å; L129-L161 HydrophobicContact CD1-CD2 4.08Å; L129-L161 HydrophobicContact CD2-CD2 4.42Å; L129-W164 HydrophobicContact CD1-CE3 3.88Å; L129-W164 HydrophobicContact CD1-CH2 3.5Å; L129-W164 VanDerWaalsContact CD1-CH2 3.5Å; L129-W164 HydrophobicContact CD1-CZ2 4.34Å; L129-W164 HydrophobicContact CD1-CZ3 3.22Å; L129-W164 HydrophobicContact CG-CZ3 4.48Å |
| 130 | T | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.9 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | V126 V133 L134 H179 S183 L697 | V126-T130 WeakPolarHBondContact O-CB 3.38Å; V126-T130 PolarHBondContact O-N 2.87Å; V126-T130 PolarHBondContact O-OG1 2.92Å; T130-V133 PolarHBondContact O-N 3.42Å; T130-L134 HydrophobicContact CG2-CD1 4.35Å; T130-L134 WeakPolarHBondContact O-CG 3.31Å; T130-L134 PolarHBondContact O-N 2.92Å; T130-H179 HydrophobicContact CG2-CB 4.32Å; T130-S183 WeakPolarHBondContact CG2-OG 3.47Å; T130-L697 HydrophobicContact CG2-CD2 3.75Å |
| 131 | T | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | L87 L90 V127 V128 L129 V133 L134 V135 N700 | L87-T131 HydrophobicContact CD1-CG2 4.5Å; L90-T131 HydrophobicContact CB-CG2 4.06Å; V127-T131 VanDerWaalsContact O-CB 3.29Å; V127-T131 WeakPolarHBondContact O-CB 3.42Å; V127-T131 PolarHBondContact O-N 3.37Å; V127-T131 PolarHBondContact O-OG1 3.28Å; V128-T131 PolarHBondContact O-N 2.85Å; L129-T131 VanDerWaalsContact C-N 3.34Å; L129-T131 PolarHBondContact O-N 2.91Å; T131-V133 PolarHBondContact O-N 3.5Å; T131-L134 PolarHBondContact O-N 3.36Å; T131-V135 WeakPolarHBondContact O-CG2 3.46Å; T131-V135 PolarHBondContact O-N 3.4Å; T131-N700 PolarHBondContact OG1-ND2 2.69Å |
| 132 | G | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V128 L129 V135 L136 | V128-G132 PolarHBondContact O-N 3.04Å; L129-G132 PolarHBondContact O-N 3.4Å; G132-V135 PolarHBondContact O-N 3.25Å; G132-L136 WeakPolarHBondContact O-CB 3.21Å; G132-L136 PolarHBondContact O-N 3.47Å |
| 133 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67 | -46.5 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | L120 L129 T130 T131 V135 L136 I137 L161 S183 L187 | L120-V133 HydrophobicContact CD1-CG2 4.46Å; L120-V133 HydrophobicContact CD2-CG2 3.91Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 VanDerWaalsContact O-CG2 3.24Å; L129-V133 WeakPolarHBondContact O-CG2 3.2Å; L129-V133 PolarHBondContact O-N 2.66Å; T130-V133 PolarHBondContact O-N 3.42Å; T131-V133 PolarHBondContact O-N 3.5Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 3.17Å; V133-L136 WeakPolarHBondContact O-CB 3.32Å; V133-L136 PolarHBondContact O-N 3.47Å; V133-L136 VanDerWaalsContact O-N 3.15Å; V133-I137 HydrophobicContact CG1-CD1 3.58Å; V133-I137 HydrophobicContact CG1-CG1 4.27Å; V133-I137 WeakPolarHBondContact O-CD1 3.36Å; V133-I137 WeakPolarHBondContact O-CG1 3.44Å; V133-I137 PolarHBondContact O-N 3.04Å; V133-L161 HydrophobicContact CG2-CD1 3.36Å; V133-S183 WeakPolarHBondContact CG1-O 3.49Å; V133-L187 HydrophobicContact CG1-CB 4.24Å; V133-L187 HydrophobicContact CG1-CD2 4.47Å |
| 134 | L | 94.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 6% | 0.058 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.9 | -66.1 | 171.6 | 0 | 0 | 0 | 111.4 | T130 T131 I137 T138 N700 Q701 Y704 | T130-L134 HydrophobicContact CG2-CD1 4.35Å; T130-L134 WeakPolarHBondContact O-CG 3.31Å; T130-L134 PolarHBondContact O-N 2.92Å; T131-L134 PolarHBondContact O-N 3.36Å; L134-I137 PolarHBondContact O-N 3Å; L134-T138 WeakPolarHBondContact O-CG2 3.45Å; L134-T138 PolarHBondContact O-N 3.37Å; L134-T138 PolarHBondContact O-OG1 3.25Å; L134-N700 HydrophobicContact CD1-CB 4.07Å; L134-Q701 HydrophobicContact CD1-CG 4.01Å; L134-Y704 HydrophobicContact CD2-CD1 4.12Å; L134-Y704 HydrophobicContact CD2-CD2 4.31Å; L134-Y704 HydrophobicContact CD2-CG 3.85Å |
| 135 | V | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.4 | -52.6 | 170.5 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L93 I97 L116 T131 G132 V133 I137 T138 M139 | L93-V135 HydrophobicContact CD2-CG1 4.13Å; L93-V135 HydrophobicContact CG-CG1 4.12Å; I97-V135 HydrophobicContact CD1-CG1 3.69Å; L116-V135 HydrophobicContact CD2-CG1 3.95Å; T131-V135 WeakPolarHBondContact O-CG2 3.46Å; T131-V135 PolarHBondContact O-N 3.4Å; G132-V135 PolarHBondContact O-N 3.25Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 3.17Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.5Å; V135-T138 PolarHBondContact O-N 2.82Å; V135-T138 VanDerWaalsContact O-N 3.13Å; V135-T138 PolarHBondContact O-OG1 2.93Å; V135-M139 HydrophobicContact CG1-SD 4.23Å; V135-M139 WeakPolarHBondContact O-CG 3.22Å; V135-M139 PolarHBondContact O-N 2.93Å |
| 136 | L | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 178.6 | 178.6 | 62.6 | 0 | 0 | 0 | 112.2 | L113 L116 L117 L120 G132 V133 T138 M139 L140 F154 L187 | L113-L136 HydrophobicContact CD1-CD1 4.42Å; L116-L136 HydrophobicContact CD2-CB 4.41Å; L117-L136 HydrophobicContact CD2-CD1 4.17Å; L117-L136 HydrophobicContact CD2-CD2 4.21Å; L120-L136 HydrophobicContact CD1-CB 4.17Å; L120-L136 HydrophobicContact CD1-CD2 3.81Å; G132-L136 WeakPolarHBondContact O-CB 3.21Å; G132-L136 PolarHBondContact O-N 3.47Å; V133-L136 WeakPolarHBondContact O-CB 3.32Å; V133-L136 PolarHBondContact O-N 3.47Å; V133-L136 VanDerWaalsContact O-N 3.15Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.15Å; L136-M139 PolarHBondContact O-N 2.92Å; L136-M139 VanDerWaalsContact O-N 3.09Å; L136-L140 HydrophobicContact CD1-CD2 4.5Å; L136-L140 HydrophobicContact CD1-CG 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.34Å; L136-L140 HydrophobicContact CG-CG 4.42Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.28Å; L136-F154 HydrophobicContact CD1-CD1 4.16Å; L136-F154 HydrophobicContact CD1-CE1 3.95Å; L136-F154 HydrophobicContact CD2-CD1 4.32Å; L136-L187 HydrophobicContact CD2-CD1 4.38Å |
| 137 | I | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 179.3 | -60.1 | 157.9 | 0 | 0 | 0 | 111.4 | V133 L134 V135 P141 S183 A186 L187 R190 Y704 | V133-I137 HydrophobicContact CG1-CD1 3.58Å; V133-I137 HydrophobicContact CG1-CG1 4.27Å; V133-I137 WeakPolarHBondContact O-CD1 3.36Å; V133-I137 WeakPolarHBondContact O-CG1 3.44Å; V133-I137 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 3Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.5Å; I137-P141 WeakPolarHBondContact O-CD 3.48Å; I137-S183 WeakPolarHBondContact CD1-O 3.47Å; I137-A186 HydrophobicContact CD1-CB 3.76Å; I137-L187 HydrophobicContact CD1-CB 3.98Å; I137-L187 HydrophobicContact CG1-CB 4.13Å; I137-L187 HydrophobicContact CG1-CD1 3.99Å; I137-R190 HydrophobicContact CG2-CB 4.01Å; I137-R190 HydrophobicContact CG2-CG 4.04Å; I137-Y704 HydrophobicContact CB-CE2 4.2Å; I137-Y704 HydrophobicContact CG2-CE2 3.58Å; I137-Y704 WeakPolarHBondContact CG2-OH 3.45Å |
| 138 | T | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.4 | -31.1 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 113 | I97 R98 L134 V135 L136 Y704 F707 | I97-T138 WeakPolarHBondContact CG2-OG1 3.4Å; R98-T138 HydrophobicContact CG-CG2 4.29Å; L134-T138 WeakPolarHBondContact O-CG2 3.45Å; L134-T138 PolarHBondContact O-N 3.37Å; L134-T138 PolarHBondContact O-OG1 3.25Å; V135-T138 PolarHBondContact O-N 2.82Å; V135-T138 VanDerWaalsContact O-N 3.13Å; V135-T138 PolarHBondContact O-OG1 2.93Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.15Å; T138-Y704 HydrophobicContact CG2-CD2 3.89Å; T138-Y704 HydrophobicContact CG2-CE2 4.37Å; T138-F707 HydrophobicContact CG2-CB 4.48Å; T138-F707 HydrophobicContact CG2-CD1 3.69Å; T138-F707 HydrophobicContact CG2-CD2 4.34Å; T138-F707 HydrophobicContact CG2-CE1 3.89Å; T138-F707 HydrophobicContact CG2-CE2 4.5Å; T138-F707 HydrophobicContact CG2-CG 3.92Å; T138-F707 HydrophobicContact CG2-CZ 4.29Å |
| 139 | M | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -74 | -39.1 | 176.7 | -72.4 | -173.8 | 61.8 | 0 | 0 | 113.8 | I97 L107 L113 L116 V135 L136 M142 I143 | I97-M139 HydrophobicContact CD1-CG 3.49Å; I97-M139 VanDerWaalsContact CD1-CG 3.49Å; I97-M139 HydrophobicContact CD1-SD 3.63Å; I97-M139 HydrophobicContact CG1-CG 4.17Å; I97-M139 HydrophobicContact CG2-CG 3.98Å; L107-M139 HydrophobicContact CB-CE 3.93Å; L107-M139 HydrophobicContact CD1-CE 4.5Å; L113-M139 HydrophobicContact CD1-CE 4.28Å; L116-M139 HydrophobicContact CD2-SD 3.97Å; V135-M139 HydrophobicContact CG1-SD 4.23Å; V135-M139 WeakPolarHBondContact O-CG 3.22Å; V135-M139 PolarHBondContact O-N 2.93Å; L136-M139 PolarHBondContact O-N 2.92Å; L136-M139 VanDerWaalsContact O-N 3.09Å; M139-M142 WeakPolarHBondContact O-CA 3.43Å; M139-M142 WeakPolarHBondContact O-CB 3.5Å; M139-M142 PolarHBondContact O-N 3.02Å; M139-I143 HydrophobicContact CE-CD1 3.95Å; M139-I143 WeakPolarHBondContact O-CG1 3.31Å; M139-I143 PolarHBondContact O-N 3.1Å |
| 140 | L | 92.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -51 | -48.1 | -171.8 | -77.5 | 167.8 | 0 | 0 | 0 | 113.1 | L136 M142 I143 F154 L187 R190 L191 M194 | L136-L140 HydrophobicContact CD1-CD2 4.5Å; L136-L140 HydrophobicContact CD1-CG 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.34Å; L136-L140 HydrophobicContact CG-CG 4.42Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.28Å; L140-M142 PolarHBondContact O-N 3.49Å; L140-I143 CarbonylContact O-C 3.59Å; L140-I143 PolarHBondContact O-N 3.38Å; L140-F154 HydrophobicContact CD2-CD1 4.47Å; L140-F154 HydrophobicContact CD2-CD2 3.76Å; L140-F154 HydrophobicContact CD2-CE1 4.12Å; L140-F154 HydrophobicContact CD2-CE2 3.34Å; L140-F154 HydrophobicContact CD2-CG 4.32Å; L140-F154 HydrophobicContact CD2-CZ 3.55Å; L140-L187 HydrophobicContact CD1-CD1 4.23Å; L140-R190 HydrophobicContact CB-CG 4.1Å; L140-R190 HydrophobicContact CD1-CG 3.82Å; L140-L191 HydrophobicContact CD1-CD2 4.19Å; L140-M194 HydrophobicContact CB-CE 4.45Å; L140-M194 HydrophobicContact CB-SD 3.89Å; L140-M194 WeakPolarHBondContact O-CE 3.39Å |
| 141 | P | 91.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -67.4 | -10.7 | 175 | -22.5 | 35.7 | 0 | 0 | 0 | 116.1 | I137 M194 T252 V255 V256 | I137-P141 WeakPolarHBondContact O-CD 3.48Å; P141-M194 HydrophobicContact CG-SD 4.24Å; P141-T252 HydrophobicContact CB-CG2 3.99Å; P141-T252 PolarHBondContact O-OG1 2.89Å; P141-V255 HydrophobicContact CB-CB 4.14Å; P141-V255 HydrophobicContact CB-CG1 3.9Å; P141-V255 HydrophobicContact CG-CG1 4.37Å; P141-V256 HydrophobicContact CB-CG2 3.69Å; P141-V256 HydrophobicContact CG-CG2 3.55Å |
| 142 | M | 89.3 | Confident | 88.6 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -95.3 | -23.4 | 178.3 | -65.9 | 166.5 | 59.7 | 0 | 0 | 112.3 | I97 Q100 K104 L107 M139 L140 P144 T252 | I97-M142 HydrophobicContact CG2-CE 3.97Å; I97-M142 HydrophobicContact CG2-SD 3.65Å; Q100-M142 HydrophobicContact CB-CE 4.42Å; Q100-M142 HydrophobicContact CG-CE 4.06Å; Q100-M142 HydrophobicContact CG-SD 3.99Å; K104-M142 HydrophobicContact CB-CE 3.53Å; K104-M142 HydrophobicContact CD-CE 3.86Å; K104-M142 HydrophobicContact CD-CG 4.33Å; K104-M142 HydrophobicContact CG-CE 4.33Å; L107-M142 HydrophobicContact CD1-CE 3.9Å; M139-M142 WeakPolarHBondContact O-CA 3.43Å; M139-M142 WeakPolarHBondContact O-CB 3.5Å; M139-M142 PolarHBondContact O-N 3.02Å; L140-M142 PolarHBondContact O-N 3.49Å; M142-P144 VanDerWaalsContact C-CD 3.44Å; M142-T252 HydrophobicContact CG-CG2 3.49Å; M142-T252 VanDerWaalsContact CG-CG2 3.49Å |
| 143 | I | 87.8 | Confident | 88.5 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -130.4 | 46.3 | 179.7 | 54.6 | 159.7 | 0 | 0 | 0 | 113.7 | L107 L113 M139 L140 Q145 S146 G147 | L107-I143 HydrophobicContact CB-CG2 4.27Å; L113-I143 HydrophobicContact CD1-CD1 4.36Å; L113-I143 HydrophobicContact CD2-CD1 3.65Å; M139-I143 HydrophobicContact CE-CD1 3.95Å; M139-I143 WeakPolarHBondContact O-CG1 3.31Å; M139-I143 PolarHBondContact O-N 3.1Å; L140-I143 CarbonylContact O-C 3.59Å; L140-I143 PolarHBondContact O-N 3.38Å; I143-Q145 PolarHBondContact O-N 3.36Å; I143-Q145 VanDerWaalsContact O-N 3.15Å; I143-S146 PolarHBondContact O-N 3.17Å; I143-S146 VanDerWaalsContact O-N 3.14Å; I143-G147 PolarHBondContact O-N 3.35Å |
| 144 | P | 85.8 | Confident | 88.4 | Confident | 21 Ų | 21 | 32.7 Ų | 32.7 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.8 | -171.7 | 28.1 | -37.5 | 0 | 0 | 0 | 114.2 | M142 M194 Y195 W247 | M142-P144 VanDerWaalsContact C-CD 3.44Å; P144-M194 HydrophobicContact CB-CE 3.68Å; P144-Y195 PolarHBondContact O-OH 3.29Å; P144-W247 HydrophobicContact CB-CB 4.41Å; P144-W247 HydrophobicContact CB-CD2 3.51Å; P144-W247 HydrophobicContact CB-CE3 3.61Å; P144-W247 HydrophobicContact CB-CG 3.89Å; P144-W247 HydrophobicContact CB-CH2 4.29Å; P144-W247 HydrophobicContact CB-CZ2 4.19Å; P144-W247 HydrophobicContact CB-CZ3 4.03Å; P144-W247 HydrophobicContact CG-CB 4.03Å; P144-W247 HydrophobicContact CG-CD2 4.02Å; P144-W247 HydrophobicContact CG-CE3 4.01Å; P144-W247 HydrophobicContact CG-CG 4.06Å |
| 145 | Q | 79.2 | Confident | 88.4 | Confident | 100 Ų | 100 | 32.3 Ų | 32.3 | 47% | 0.467 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -37.8 | 176.9 | -65.7 | 178.2 | -15.2 | 0 | 0 | 112.1 | I143 G147 K148 P244 W247 | I143-Q145 PolarHBondContact O-N 3.36Å; I143-Q145 VanDerWaalsContact O-N 3.15Å; Q145-G147 PolarHBondContact O-N 3.23Å; Q145-K148 PolarHBondContact O-N 3.4Å; Q145-P244 HydrophobicContact CG-CB 4.26Å; Q145-P244 PolarHBondContact NE2-O 2.96Å; Q145-W247 HydrophobicContact CG-CB 4.17Å |
| 146 | S | 75 | Confident | 88.4 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | S108 I143 K148 Q149 | S108-S146 WeakPolarHBondContact CB-OG 3.49Å; S108-S146 PolarHBondContact OG-OG 3.08Å; I143-S146 PolarHBondContact O-N 3.17Å; I143-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 3.34Å; S146-K148 VanDerWaalsContact O-N 3.14Å; S146-Q149 PolarHBondContact O-N 2.75Å; S146-Q149 VanDerWaalsContact O-N 3.11Å |
| 147 | G | 71 | Confident | 88.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.7 | -30.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | I143 Q145 Q149 H150 L151 | I143-G147 PolarHBondContact O-N 3.35Å; Q145-G147 PolarHBondContact O-N 3.23Å; G147-Q149 PolarHBondContact O-N 3.4Å; G147-Q149 VanDerWaalsContact O-N 3.14Å; G147-H150 CarbonylContact O-C 3.59Å; G147-H150 PolarHBondContact O-N 3.18Å; G147-H150 VanDerWaalsContact O-N 3.1Å; G147-L151 WeakPolarHBondContact O-CA 3.44Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.5Å; G147-L151 PolarHBondContact O-N 2.78Å |
| 148 | K | 80.1 | Confident | 88.6 | Confident | 127 Ų | 127 | 35.5 Ų | 35.5 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -56.8 | -30.2 | 177.2 | -175 | 168.4 | -172.8 | 166.4 | 0 | 114.2 | Q145 S146 L242 | Q145-K148 PolarHBondContact O-N 3.4Å; S146-K148 PolarHBondContact O-N 3.34Å; S146-K148 VanDerWaalsContact O-N 3.14Å; K148-L242 HydrophobicContact CD-CB 4.2Å; K148-L242 HydrophobicContact CG-CB 4.47Å; K148-L242 HydrophobicContact CG-CD1 4.4Å |
| 149 | Q | 84.3 | Confident | 88.6 | Confident | 154 Ų | 154 | 35.5 Ų | 35.5 | 72% | 0.72 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -84.1 | -28.1 | 179 | -71 | 176.7 | -27.3 | 0 | 0 | 113 | S146 G147 | S146-Q149 PolarHBondContact O-N 2.75Å; S146-Q149 VanDerWaalsContact O-N 3.11Å; G147-Q149 PolarHBondContact O-N 3.4Å; G147-Q149 VanDerWaalsContact O-N 3.14Å |
| 150 | H | 88.5 | Confident | 88.8 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -116.9 | 12.3 | -172.8 | -67.8 | -61.2 | 0 | 0 | 0 | 113.7 | L117 G147 L152 D153 F154 | L117-H150 HydrophobicContact CD1-CB 3.74Å; G147-H150 CarbonylContact O-C 3.59Å; G147-H150 PolarHBondContact O-N 3.18Å; G147-H150 VanDerWaalsContact O-N 3.1Å; H150-L152 VanDerWaalsContact C-N 3.32Å; H150-L152 PolarHBondContact O-N 3.32Å; H150-D153 HydrophobicContact CB-CB 4.34Å; H150-D153 IonicContact CE1-OD2 3.48Å; H150-D153 IonicContact CG-OD2 2.69Å; H150-D153 IonicContact ND1-OD2 2.67Å; H150-D153 PolarHBondContact ND1-OD2 3.21Å; H150-D153 WeakPolarHBondContact O-CA 3.5Å; H150-D153 WeakPolarHBondContact O-CB 3.48Å; H150-D153 PolarHBondContact O-N 3.12Å; H150-F154 HydrophobicContact CB-CD1 4.34Å; H150-F154 HydrophobicContact CB-CE1 3.66Å; H150-F154 HydrophobicContact CB-CE2 4.31Å; H150-F154 HydrophobicContact CB-CZ 3.64Å; H150-F154 WeakPolarHBondContact O-CD1 3.35Å; H150-F154 VanDerWaalsContact O-CG 3.29Å; H150-F154 WeakPolarHBondContact O-CG 3.33Å; H150-F154 PolarHBondContact O-N 2.96Å |
| 151 | L | 91 | Very high | 88.9 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | -173.5 | -165.1 | 66.7 | 0 | 0 | 0 | 111.9 | G147 D153 F154 F155 Y195 N198 L242 | G147-L151 WeakPolarHBondContact O-CA 3.44Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.5Å; G147-L151 PolarHBondContact O-N 2.78Å; L151-D153 VanDerWaalsContact C-N 3.35Å; L151-F154 HydrophobicContact CD1-CD2 4.38Å; L151-F154 PolarHBondContact O-N 3.01Å; L151-F155 HydrophobicContact CD1-CE1 3.92Å; L151-F155 HydrophobicContact CD1-CE2 4.39Å; L151-F155 HydrophobicContact CD1-CZ 3.7Å; L151-F155 HydrophobicContact CD2-CE2 4.04Å; L151-F155 HydrophobicContact CD2-CZ 3.99Å; L151-F155 HydrophobicContact CG-CD2 4.4Å; L151-F155 HydrophobicContact CG-CE1 4.09Å; L151-F155 HydrophobicContact CG-CE2 3.72Å; L151-F155 HydrophobicContact CG-CZ 3.54Å; L151-F155 WeakPolarHBondContact O-CD1 3.41Å; L151-F155 WeakPolarHBondContact O-CG 3.43Å; L151-F155 PolarHBondContact O-N 3.1Å; L151-Y195 HydrophobicContact CD1-CD1 3.81Å; L151-Y195 HydrophobicContact CD1-CD2 3.73Å; L151-Y195 HydrophobicContact CD1-CE1 4.18Å; L151-Y195 HydrophobicContact CD1-CE2 4.1Å; L151-Y195 HydrophobicContact CD1-CG 3.57Å; L151-N198 HydrophobicContact CD2-CB 3.66Å; L151-L242 HydrophobicContact CD2-CD1 4.11Å; L151-L242 HydrophobicContact CD2-CD2 3.87Å |
| 152 | L | 91.8 | Very high | 88.9 | Confident | 123 Ų | 123 | 38.3 Ų | 38.3 | 64% | 0.644 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -65.6 | -37.1 | 174.2 | -59.8 | 178.8 | 0 | 0 | 0 | 111.4 | H150 F154 F155 D156 | H150-L152 VanDerWaalsContact C-N 3.32Å; H150-L152 PolarHBondContact O-N 3.32Å; L152-F154 VanDerWaalsContact C-N 3.35Å; L152-F154 PolarHBondContact O-N 3.22Å; L152-F155 HydrophobicContact CD2-CD2 4.44Å; L152-F155 PolarHBondContact O-N 2.95Å; L152-D156 WeakPolarHBondContact O-CB 3.42Å; L152-D156 PolarHBondContact O-N 2.82Å |
| 153 | D | 93.6 | Very high | 89 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 174.2 | -65.1 | -51.3 | 0 | 0 | 0 | 112 | L117 K121 H150 L151 I157 | L117-D153 HydrophobicContact CD1-CB 4.01Å; L117-D153 HydrophobicContact CD2-CB 4.4Å; K121-D153 WeakPolarHBondContact CE-OD1 3.37Å; K121-D153 IonicContact NZ-OD1 3.37Å; K121-D153 PolarHBondContact NZ-OD1 2.97Å; H150-D153 HydrophobicContact CB-CB 4.34Å; H150-D153 IonicContact CE1-OD2 3.48Å; H150-D153 IonicContact CG-OD2 2.69Å; H150-D153 IonicContact ND1-OD2 2.67Å; H150-D153 PolarHBondContact ND1-OD2 3.21Å; H150-D153 WeakPolarHBondContact O-CA 3.5Å; H150-D153 WeakPolarHBondContact O-CB 3.48Å; H150-D153 PolarHBondContact O-N 3.12Å; L151-D153 VanDerWaalsContact C-N 3.35Å; D153-I157 WeakPolarHBondContact O-CB 3.46Å; D153-I157 VanDerWaalsContact O-CD1 3.3Å; D153-I157 WeakPolarHBondContact O-CD1 3.3Å; D153-I157 WeakPolarHBondContact O-CG1 3.4Å; D153-I157 PolarHBondContact O-N 2.84Å |
| 154 | F | 94.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 177 | -49.5 | -32.3 | 0 | 0 | 0 | 111.9 | L117 L136 L140 H150 L151 L152 I157 F158 L191 | L117-F154 HydrophobicContact CD1-CE1 4.07Å; L117-F154 HydrophobicContact CD2-CD1 3.63Å; L117-F154 HydrophobicContact CD2-CE1 3.74Å; L136-F154 HydrophobicContact CD1-CD1 4.16Å; L136-F154 HydrophobicContact CD1-CE1 3.95Å; L136-F154 HydrophobicContact CD2-CD1 4.32Å; L140-F154 HydrophobicContact CD2-CD1 4.47Å; L140-F154 HydrophobicContact CD2-CD2 3.76Å; L140-F154 HydrophobicContact CD2-CE1 4.12Å; L140-F154 HydrophobicContact CD2-CE2 3.34Å; L140-F154 HydrophobicContact CD2-CG 4.32Å; L140-F154 HydrophobicContact CD2-CZ 3.55Å; H150-F154 HydrophobicContact CB-CD1 4.34Å; H150-F154 HydrophobicContact CB-CE1 3.66Å; H150-F154 HydrophobicContact CB-CE2 4.31Å; H150-F154 HydrophobicContact CB-CZ 3.64Å; H150-F154 WeakPolarHBondContact O-CD1 3.35Å; H150-F154 VanDerWaalsContact O-CG 3.29Å; H150-F154 WeakPolarHBondContact O-CG 3.33Å; H150-F154 PolarHBondContact O-N 2.96Å; L151-F154 HydrophobicContact CD1-CD2 4.38Å; L151-F154 PolarHBondContact O-N 3.01Å; L152-F154 VanDerWaalsContact C-N 3.35Å; L152-F154 PolarHBondContact O-N 3.22Å; F154-I157 PolarHBondContact O-N 3.1Å; F154-F158 PolarHBondContact O-N 3.35Å; F154-L191 HydrophobicContact CB-CD2 3.92Å; F154-L191 HydrophobicContact CD2-CD2 4.32Å |
| 155 | F | 95.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.4 | -42.6 | 179.4 | -65.3 | -9.6 | 0 | 0 | 0 | 111.9 | L151 L152 I157 F158 G159 L191 N198 F199 F202 | L151-F155 HydrophobicContact CD1-CE1 3.92Å; L151-F155 HydrophobicContact CD1-CE2 4.39Å; L151-F155 HydrophobicContact CD1-CZ 3.7Å; L151-F155 HydrophobicContact CD2-CE2 4.04Å; L151-F155 HydrophobicContact CD2-CZ 3.99Å; L151-F155 HydrophobicContact CG-CD2 4.4Å; L151-F155 HydrophobicContact CG-CE1 4.09Å; L151-F155 HydrophobicContact CG-CE2 3.72Å; L151-F155 HydrophobicContact CG-CZ 3.54Å; L151-F155 WeakPolarHBondContact O-CD1 3.41Å; L151-F155 WeakPolarHBondContact O-CG 3.43Å; L151-F155 PolarHBondContact O-N 3.1Å; L152-F155 HydrophobicContact CD2-CD2 4.44Å; L152-F155 PolarHBondContact O-N 2.95Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.3Å; F155-F158 WeakPolarHBondContact O-CB 3.16Å; F155-F158 PolarHBondContact O-N 2.71Å; F155-G159 PolarHBondContact O-N 3.43Å; F155-L191 HydrophobicContact CD1-CD1 4.17Å; F155-L191 HydrophobicContact CD1-CD2 4.4Å; F155-L191 HydrophobicContact CE1-CD2 4.21Å; F155-N198 HydrophobicContact CE2-CB 4.02Å; F155-N198 HydrophobicContact CZ-CB 3.96Å; F155-F199 AromaticContact CD1-CD2 3.61Å; F155-F199 HydrophobicContact CD1-CD2 3.61Å; F155-F199 HydrophobicContact CD1-CE2 4.21Å; F155-F199 HydrophobicContact CE1-CB 3.81Å; F155-F199 AromaticContact CE1-CD2 3.55Å; F155-F199 HydrophobicContact CE1-CD2 3.55Å; F155-F199 HydrophobicContact CE1-CE2 4.5Å; F155-F199 HydrophobicContact CE1-CG 4.06Å; F155-F199 HydrophobicContact CG-CD2 4.29Å; F155-F199 VanDerWaalsContact CZ-CA 3.49Å; F155-F199 HydrophobicContact CZ-CB 3.8Å; F155-F199 HydrophobicContact CZ-CD2 4.18Å; F155-F199 HydrophobicContact CZ-CG 4.47Å; F155-F202 HydrophobicContact CB-CB 4.39Å; F155-F202 HydrophobicContact CB-CD1 3.8Å; F155-F202 HydrophobicContact CB-CD2 3.62Å; F155-F202 HydrophobicContact CB-CE1 3.93Å; F155-F202 HydrophobicContact CB-CE2 3.73Å; F155-F202 HydrophobicContact CB-CG 3.65Å; F155-F202 HydrophobicContact CB-CZ 3.9Å; F155-F202 HydrophobicContact CD2-CB 3.46Å; F155-F202 VanDerWaalsContact CD2-CB 3.46Å; F155-F202 HydrophobicContact CD2-CD1 4.36Å; F155-F202 HydrophobicContact CD2-CD2 4.02Å; F155-F202 AromaticContact CD2-CG 3.68Å; F155-F202 HydrophobicContact CD2-CG 3.68Å; F155-F202 HydrophobicContact CE2-CB 3.86Å; F155-F202 HydrophobicContact CG-CB 4.07Å; F155-F202 HydrophobicContact CG-CD1 4.11Å; F155-F202 HydrophobicContact CG-CD2 4.22Å; F155-F202 AromaticContact CG-CG 3.86Å; F155-F202 HydrophobicContact CG-CG 3.86Å; F155-F202 WeakPolarHBondContact O-CE1 3.39Å; F155-F202 WeakPolarHBondContact O-CZ 3.33Å |
| 156 | D | 94.5 | Very high | 89.4 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 171.9 | -69.6 | -18.8 | 0 | 0 | 0 | 111.4 | K121 L152 G159 R160 | K121-D156 VanDerWaalsContact CE-CB 3.41Å; K121-D156 WeakPolarHBondContact CE-OD2 3.39Å; K121-D156 IonicContact NZ-OD2 3.56Å; K121-D156 PolarHBondContact NZ-OD2 3.46Å; L152-D156 WeakPolarHBondContact O-CB 3.42Å; L152-D156 PolarHBondContact O-N 2.82Å; D156-G159 PolarHBondContact O-N 2.83Å; D156-R160 WeakPolarHBondContact O-CB 3.33Å; D156-R160 PolarHBondContact O-N 3.5Å |
| 157 | I | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -43 | 175.8 | -73 | 161.9 | 0 | 0 | 0 | 110.5 | L117 L120 K121 D153 F154 F155 L161 L187 | L117-I157 HydrophobicContact CB-CD1 4.2Å; L117-I157 HydrophobicContact CD2-CD1 3.4Å; L117-I157 VanDerWaalsContact CD2-CD1 3.4Å; L117-I157 HydrophobicContact CG-CD1 4.41Å; L120-I157 HydrophobicContact CB-CD1 3.68Å; L120-I157 HydrophobicContact CB-CG1 3.93Å; L120-I157 HydrophobicContact CB-CG2 4.04Å; L120-I157 HydrophobicContact CD1-CD1 4.22Å; L120-I157 HydrophobicContact CD1-CG2 4.32Å; K121-I157 HydrophobicContact CG-CD1 4.24Å; K121-I157 HydrophobicContact CG-CG1 3.68Å; D153-I157 WeakPolarHBondContact O-CB 3.46Å; D153-I157 VanDerWaalsContact O-CD1 3.3Å; D153-I157 WeakPolarHBondContact O-CD1 3.3Å; D153-I157 WeakPolarHBondContact O-CG1 3.4Å; D153-I157 PolarHBondContact O-N 2.84Å; F154-I157 PolarHBondContact O-N 3.1Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.3Å; I157-L161 HydrophobicContact CG2-CD1 3.73Å; I157-L161 HydrophobicContact CG2-CG 4.39Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 VanDerWaalsContact O-CG 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 2.85Å; I157-L187 HydrophobicContact CG2-CD2 4.24Å |
| 158 | F | 96 | Very high | 90 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 174.1 | 173.4 | -104.1 | 0 | 0 | 0 | 111.8 | F154 F155 R160 L161 S162 V184 L187 F188 L191 F199 F202 L203 Y207 V220 M223 | F154-F158 PolarHBondContact O-N 3.35Å; F155-F158 WeakPolarHBondContact O-CB 3.16Å; F155-F158 PolarHBondContact O-N 2.71Å; F158-R160 PolarHBondContact O-N 3.28Å; F158-L161 PolarHBondContact O-N 2.96Å; F158-S162 WeakPolarHBondContact O-CB 3.5Å; F158-S162 PolarHBondContact O-N 3.48Å; F158-S162 PolarHBondContact O-OG 2.99Å; F158-S162 VanDerWaalsContact O-OG 3.08Å; F158-V184 HydrophobicContact CD2-CG1 3.93Å; F158-V184 HydrophobicContact CE2-CG1 3.7Å; F158-L187 HydrophobicContact CB-CD2 4.1Å; F158-F188 HydrophobicContact CD2-CB 4.43Å; F158-F188 HydrophobicContact CE2-CB 3.73Å; F158-F188 HydrophobicContact CE2-CD2 4.24Å; F158-F188 HydrophobicContact CE2-CG 4.48Å; F158-F188 HydrophobicContact CZ-CB 4.23Å; F158-F188 AromaticContact CZ-CD2 3.85Å; F158-F188 HydrophobicContact CZ-CD2 3.85Å; F158-L191 HydrophobicContact CB-CD1 4.08Å; F158-F199 AromaticContact CD1-CE2 3.62Å; F158-F199 HydrophobicContact CD1-CE2 3.62Å; F158-F199 AromaticContact CD1-CZ 3.69Å; F158-F199 HydrophobicContact CD1-CZ 3.69Å; F158-F199 HydrophobicContact CD2-CZ 4.46Å; F158-F199 HydrophobicContact CE1-CE2 4.04Å; F158-F199 AromaticContact CE1-CZ 3.7Å; F158-F199 HydrophobicContact CE1-CZ 3.7Å; F158-F199 HydrophobicContact CE2-CZ 4.49Å; F158-F199 HydrophobicContact CG-CE2 4.1Å; F158-F199 HydrophobicContact CG-CZ 4.09Å; F158-F199 HydrophobicContact CZ-CZ 4.12Å; F158-F202 HydrophobicContact CD1-CE1 4.28Å; F158-L203 HydrophobicContact CD1-CD2 4.34Å; F158-L203 HydrophobicContact CE1-CD2 3.72Å; F158-Y207 HydrophobicContact CE1-CE2 4.21Å; F158-V220 HydrophobicContact CE1-CG2 4.15Å; F158-V220 HydrophobicContact CZ-CG1 4.39Å; F158-V220 HydrophobicContact CZ-CG2 3.98Å; F158-M223 HydrophobicContact CE2-SD 4.45Å |
| 159 | G | 94.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F155 D156 S162 S163 | F155-G159 PolarHBondContact O-N 3.43Å; D156-G159 PolarHBondContact O-N 2.83Å; G159-S162 PolarHBondContact O-OG 2.95Å; G159-S162 VanDerWaalsContact O-OG 3.11Å; G159-S163 WeakPolarHBondContact O-CB 3.41Å; G159-S163 PolarHBondContact O-N 3.46Å; G159-S163 PolarHBondContact O-OG 3.23Å |
| 160 | R | 93.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -56.7 | 171.7 | -176.8 | -175.1 | -168.4 | -116.7 | -6.4 | 110 | L120 K121 M122 D123 D156 F158 S163 W164 | L120-R160 PolarHBondContact O-NH1 3.38Å; K121-R160 VanDerWaalsContact O-CZ 3.24Å; K121-R160 PolarHBondContact O-NE 3.1Å; M122-R160 VanDerWaalsContact C-NH2 3.3Å; M122-R160 PolarHBondContact O-NH2 3.28Å; M122-R160 VanDerWaalsContact O-NH2 3.11Å; D123-R160 VanDerWaalsContact O-CZ 3.3Å; D123-R160 PolarHBondContact O-NH1 3.06Å; D123-R160 PolarHBondContact O-NH2 2.88Å; D156-R160 WeakPolarHBondContact O-CB 3.33Å; D156-R160 PolarHBondContact O-N 3.5Å; F158-R160 PolarHBondContact O-N 3.28Å; R160-S163 PolarHBondContact O-N 2.66Å; R160-S163 PolarHBondContact O-OG 3.22Å; R160-W164 WeakPolarHBondContact O-CB 3.4Å; R160-W164 PolarHBondContact O-N 3.07Å |
| 161 | L | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.1 | -32.5 | -169.9 | -64.2 | 176.6 | 0 | 0 | 0 | 113.4 | L129 V133 I157 F158 W164 C165 V184 | L129-L161 HydrophobicContact CD1-CD2 4.08Å; L129-L161 HydrophobicContact CD2-CD2 4.42Å; V133-L161 HydrophobicContact CG2-CD1 3.36Å; I157-L161 HydrophobicContact CG2-CD1 3.73Å; I157-L161 HydrophobicContact CG2-CG 4.39Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 VanDerWaalsContact O-CG 3.25Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 2.85Å; F158-L161 PolarHBondContact O-N 2.96Å; L161-W164 HydrophobicContact CD2-CE3 4.08Å; L161-W164 PolarHBondContact O-N 2.87Å; L161-C165 PolarHBondContact O-N 2.87Å; L161-C165 PolarHBondContact O-SG 3.47Å; L161-V184 HydrophobicContact CB-CG2 3.69Å |
| 162 | S | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -47 | 170.3 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | F158 G159 W164 C165 L166 Y207 T215 | F158-S162 WeakPolarHBondContact O-CB 3.5Å; F158-S162 PolarHBondContact O-N 3.48Å; F158-S162 PolarHBondContact O-OG 2.99Å; F158-S162 VanDerWaalsContact O-OG 3.08Å; G159-S162 PolarHBondContact O-OG 2.95Å; G159-S162 VanDerWaalsContact O-OG 3.11Å; S162-W164 PolarHBondContact O-N 2.92Å; S162-C165 WeakPolarHBondContact O-CB 3.4Å; S162-C165 PolarHBondContact O-N 3.25Å; S162-L166 PolarHBondContact O-N 2.89Å; S162-Y207 PolarHBondContact OG-OH 3.19Å; S162-T215 VanDerWaalsContact C-CG2 3.47Å; S162-T215 WeakPolarHBondContact OG-CG2 3.47Å |
| 163 | S | 91.2 | Very high | 86.8 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -29 | 177.8 | 84.6 | 0 | 0 | 0 | 0 | 112.2 | G159 R160 L166 K167 | G159-S163 WeakPolarHBondContact O-CB 3.41Å; G159-S163 PolarHBondContact O-N 3.46Å; G159-S163 PolarHBondContact O-OG 3.23Å; R160-S163 PolarHBondContact O-N 2.66Å; R160-S163 PolarHBondContact O-OG 3.22Å; S163-L166 PolarHBondContact O-N 3.48Å; S163-K167 VanDerWaalsContact O-CB 3.23Å; S163-K167 WeakPolarHBondContact O-CB 3.34Å; S163-K167 WeakPolarHBondContact O-CD 3.39Å; S163-K167 WeakPolarHBondContact O-CG 3.5Å; S163-K167 PolarHBondContact O-N 2.94Å |
| 164 | W | 90.2 | Very high | 86.3 | Confident | 40 Ų | 40 | 48 Ų | 48 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.2 | -30.1 | 177.5 | -156.7 | 56.4 | 0 | 0 | 0 | 112.8 | T124 V126 L129 R160 L161 S162 P169 L180 | T124-W164 VanDerWaalsContact O-CH2 3.28Å; T124-W164 WeakPolarHBondContact O-CH2 3.4Å; T124-W164 WeakPolarHBondContact O-CZ2 3.4Å; V126-W164 HydrophobicContact CB-CH2 4.28Å; V126-W164 HydrophobicContact CB-CZ3 4.33Å; V126-W164 HydrophobicContact CG1-CZ3 4.44Å; V126-W164 HydrophobicContact CG2-CH2 3.44Å; V126-W164 VanDerWaalsContact CG2-CH2 3.44Å; V126-W164 HydrophobicContact CG2-CZ2 4.38Å; V126-W164 HydrophobicContact CG2-CZ3 3.77Å; L129-W164 HydrophobicContact CD1-CE3 3.88Å; L129-W164 HydrophobicContact CD1-CH2 3.5Å; L129-W164 VanDerWaalsContact CD1-CH2 3.5Å; L129-W164 HydrophobicContact CD1-CZ2 4.34Å; L129-W164 HydrophobicContact CD1-CZ3 3.22Å; L129-W164 HydrophobicContact CG-CZ3 4.48Å; R160-W164 WeakPolarHBondContact O-CB 3.4Å; R160-W164 PolarHBondContact O-N 3.07Å; L161-W164 HydrophobicContact CD2-CE3 4.08Å; L161-W164 PolarHBondContact O-N 2.87Å; S162-W164 PolarHBondContact O-N 2.92Å; W164-P169 HydrophobicContact CD2-CG 4.2Å; W164-P169 HydrophobicContact CG-CG 4.22Å; W164-P169 HydrophobicContact CZ2-CG 4.13Å; W164-L180 HydrophobicContact CE3-CD2 3.52Å; W164-L180 HydrophobicContact CZ3-CD2 3.83Å |
| 165 | C | 85.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 168.5 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | L161 S162 L180 | L161-C165 PolarHBondContact O-N 2.87Å; L161-C165 PolarHBondContact O-SG 3.47Å; S162-C165 WeakPolarHBondContact O-CB 3.4Å; S162-C165 PolarHBondContact O-N 3.25Å; C165-L180 VanDerWaalsContact SG-CD2 3.6Å |
| 166 | L | 84.3 | Confident | 85.6 | Confident | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70 | -46.8 | 179.7 | 178.2 | 63.6 | 0 | 0 | 0 | 112.6 | S162 S163 K168 E214 E218 V219 | S162-L166 PolarHBondContact O-N 2.89Å; S163-L166 PolarHBondContact O-N 3.48Å; L166-K168 PolarHBondContact O-N 2.92Å; L166-E214 HydrophobicContact CD2-CB 4.04Å; L166-E214 HydrophobicContact CD2-CG 3.83Å; L166-E218 HydrophobicContact CD1-CB 3.98Å; L166-E218 HydrophobicContact CD1-CG 4.14Å; L166-V219 HydrophobicContact CB-CG2 4.16Å |
| 167 | K | 82.8 | Confident | 85.3 | Confident | 131 Ų | 131 | 49.5 Ų | 49.5 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 8.3 | -173.4 | -72.7 | 167.7 | -178.8 | 164.5 | 0 | 114.9 | S163 | S163-K167 VanDerWaalsContact O-CB 3.23Å; S163-K167 WeakPolarHBondContact O-CB 3.34Å; S163-K167 WeakPolarHBondContact O-CD 3.39Å; S163-K167 WeakPolarHBondContact O-CG 3.5Å; S163-K167 PolarHBondContact O-N 2.94Å |
| 168 | K | 76 | Confident | 85.1 | Confident | 124 Ų | 124 | 54.3 Ų | 54.3 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | trans | 24.1 | 78.3 | 177.4 | -71 | -163.8 | 176.3 | -172.5 | 0 | 113.8 | L166 G170 E174 L177 | L166-K168 PolarHBondContact O-N 2.92Å; K168-G170 PolarHBondContact O-N 3.35Å; K168-E174 IonicContact NZ-OE1 3.28Å; K168-E174 PolarHBondContact NZ-OE1 3.13Å; K168-L177 HydrophobicContact CB-CD1 4.39Å; K168-L177 HydrophobicContact CG-CD1 3.97Å | ||
| 169 | P | 72.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 21% | 0.208 | 30% | 0.297 | C | S | . | . | trans | -58.9 | 116.2 | -176.8 | -19.2 | 30.6 | 0 | 0 | 0 | 109.9 | W164 H171 V172 | W164-P169 HydrophobicContact CD2-CG 4.2Å; W164-P169 HydrophobicContact CG-CG 4.22Å; W164-P169 HydrophobicContact CZ2-CG 4.13Å; P169-H171 PolarHBondContact O-N 3.07Å; P169-V172 HydrophobicContact CB-CG2 4.09Å; P169-V172 HydrophobicContact CG-CG2 4.49Å; P169-V172 WeakPolarHBondContact O-CB 3.41Å; P169-V172 PolarHBondContact O-N 3.41Å | ||
| 170 | G | 63.8 | Low | 84.9 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 14.4 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | K168 | K168-G170 PolarHBondContact O-N 3.35Š|
| 171 | H | 70.2 | Confident | 84.8 | Confident | 196 Ų | 196 | 56 Ų | 56 | 91% | 0.907 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | 5.6 | 173.9 | -57.6 | 85.3 | 0 | 0 | 0 | 112.1 | P169 | P169-H171 PolarHBondContact O-N 3.07Š|
| 172 | V | 79.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -108 | 130 | -175 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V126 P169 Y176 L177 | V126-V172 HydrophobicContact CG2-CB 4.32Å; V126-V172 HydrophobicContact CG2-CG1 3.67Å; V126-V172 HydrophobicContact CG2-CG2 3.61Å; P169-V172 HydrophobicContact CB-CG2 4.09Å; P169-V172 HydrophobicContact CG-CG2 4.49Å; P169-V172 WeakPolarHBondContact O-CB 3.41Å; P169-V172 PolarHBondContact O-N 3.41Å; V172-Y176 HydrophobicContact CG1-CD2 4.31Å; V172-L177 HydrophobicContact CG1-CD1 4.42Å; V172-L177 HydrophobicContact CG1-CD2 3.74Å; V172-L177 HydrophobicContact CG1-CG 3.75Å |
| 173 | A | 82.4 | Confident | 84.7 | Confident | 37 Ų | 37 | 58 Ų | 58 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | trans | -65.7 | 131.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V175 Y176 T690 | A173-V175 PolarHBondContact O-N 2.97Å; A173-Y176 HydrophobicContact CB-CD1 4.44Å; A173-Y176 HydrophobicContact CB-CD2 4.45Å; A173-Y176 HydrophobicContact CB-CE1 4.49Å; A173-Y176 HydrophobicContact CB-CG 4.41Å; A173-Y176 WeakPolarHBondContact O-CB 3.34Å; A173-Y176 PolarHBondContact O-N 2.86Å; A173-T690 HydrophobicContact CB-CG2 4.45Å | ||
| 174 | E | 82.6 | Confident | 84.9 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.2 | -29.6 | -173.7 | -60.6 | -160.5 | 119.6 | 0 | 0 | 113.7 | K168 Y176 L177 V178 | K168-E174 IonicContact NZ-OE1 3.28Å; K168-E174 PolarHBondContact NZ-OE1 3.13Å; E174-Y176 VanDerWaalsContact C-N 3.25Å; E174-Y176 PolarHBondContact O-N 2.77Å; E174-L177 WeakPolarHBondContact O-CA 3.47Å; E174-L177 WeakPolarHBondContact O-CB 3.33Å; E174-L177 PolarHBondContact O-N 2.95Å; E174-V178 PolarHBondContact O-N 3.27Å |
| 175 | V | 86 | Confident | 85.1 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 174.8 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | A173 L177 V178 H179 Q694 | A173-V175 PolarHBondContact O-N 2.97Å; V175-L177 VanDerWaalsContact C-N 3.32Å; V175-L177 PolarHBondContact O-N 3.43Å; V175-V178 PolarHBondContact O-N 3.16Å; V175-H179 PolarHBondContact O-CD2 3.19Å; V175-H179 PolarHBondContact O-N 3.15Å; V175-Q694 HydrophobicContact CB-CG 4.38Å; V175-Q694 HydrophobicContact CG1-CG 3.86Å |
| 176 | Y | 89.4 | Confident | 85.5 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -34.6 | 175 | -59.2 | -6.6 | 0 | 0 | 0 | 111.7 | V126 V127 V172 A173 E174 V178 H179 L180 T690 D693 Q694 L697 | V126-Y176 HydrophobicContact CB-CD2 4.33Å; V127-Y176 HydrophobicContact CG2-CE2 4.41Å; V172-Y176 HydrophobicContact CG1-CD2 4.31Å; A173-Y176 HydrophobicContact CB-CD1 4.44Å; A173-Y176 HydrophobicContact CB-CD2 4.45Å; A173-Y176 HydrophobicContact CB-CE1 4.49Å; A173-Y176 HydrophobicContact CB-CG 4.41Å; A173-Y176 WeakPolarHBondContact O-CB 3.34Å; A173-Y176 PolarHBondContact O-N 2.86Å; E174-Y176 VanDerWaalsContact C-N 3.25Å; E174-Y176 PolarHBondContact O-N 2.77Å; Y176-V178 VanDerWaalsContact C-N 3.3Å; Y176-V178 PolarHBondContact O-N 3.31Å; Y176-H179 PolarHBondContact O-N 2.93Å; Y176-L180 WeakPolarHBondContact O-CB 3.36Å; Y176-L180 PolarHBondContact O-N 3.5Å; Y176-T690 HydrophobicContact CE1-CG2 4.04Å; Y176-T690 WeakPolarHBondContact OH-CA 3.44Å; Y176-D693 HydrophobicContact CE1-CB 3.84Å; Y176-D693 WeakPolarHBondContact OH-CB 3.25Å; Y176-D693 PolarHBondContact OH-OD2 2.88Å; Y176-Q694 HydrophobicContact CD1-CG 4.35Å; Y176-Q694 HydrophobicContact CE1-CG 4.06Å; Y176-L697 HydrophobicContact CD1-CD1 3.56Å; Y176-L697 HydrophobicContact CE1-CD1 4.19Å; Y176-L697 HydrophobicContact CG-CD1 3.96Å |
| 177 | L | 88.9 | Confident | 86 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -31.3 | 177.4 | -62 | 177.1 | 0 | 0 | 0 | 111.8 | K168 V172 E174 V175 L180 H181 | K168-L177 HydrophobicContact CB-CD1 4.39Å; K168-L177 HydrophobicContact CG-CD1 3.97Å; V172-L177 HydrophobicContact CG1-CD1 4.42Å; V172-L177 HydrophobicContact CG1-CD2 3.74Å; V172-L177 HydrophobicContact CG1-CG 3.75Å; E174-L177 WeakPolarHBondContact O-CA 3.47Å; E174-L177 WeakPolarHBondContact O-CB 3.33Å; E174-L177 PolarHBondContact O-N 2.95Å; V175-L177 VanDerWaalsContact C-N 3.32Å; V175-L177 PolarHBondContact O-N 3.43Å; L177-L180 HydrophobicContact CD2-CD2 4.27Å; L177-L180 PolarHBondContact O-N 2.94Å; L177-H181 VanDerWaalsContact O-CB 3.24Å; L177-H181 WeakPolarHBondContact O-CB 3.33Å; L177-H181 PolarHBondContact O-N 3.17Å |
| 178 | V | 90.6 | Very high | 86.6 | Confident | 100 Ų | 100 | 47.6 Ų | 47.6 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 171.6 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | E174 V175 Y176 H181 A182 | E174-V178 PolarHBondContact O-N 3.27Å; V175-V178 PolarHBondContact O-N 3.16Å; Y176-V178 VanDerWaalsContact C-N 3.3Å; Y176-V178 PolarHBondContact O-N 3.31Å; V178-H181 PolarHBondContact O-N 2.94Å; V178-A182 PolarHBondContact O-N 3.38Å; V178-A182 VanDerWaalsContact O-N 3.08Å |
| 179 | H | 92.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.5 | -65.4 | -71.7 | 0 | 0 | 0 | 112.7 | T130 V175 Y176 S183 L697 Q701 | T130-H179 HydrophobicContact CG2-CB 4.32Å; V175-H179 PolarHBondContact O-CD2 3.19Å; V175-H179 PolarHBondContact O-N 3.15Å; Y176-H179 PolarHBondContact O-N 2.93Å; H179-S183 PolarHBondContact O-N 3.28Å; H179-S183 PolarHBondContact O-OG 3.49Å; H179-L697 HydrophobicContact CB-CB 4.11Å; H179-L697 HydrophobicContact CB-CD1 4.19Å; H179-L697 HydrophobicContact CB-CD2 4.12Å; H179-L697 HydrophobicContact CB-CG 4.39Å; H179-Q701 PolarHBondContact ND1-OE1 2.9Å; H179-Q701 PolarHBondContact O-NE2 2.99Å |
| 180 | L | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | 173.2 | -179.3 | 70.1 | 0 | 0 | 0 | 111.2 | V126 W164 C165 Y176 L177 A182 S183 V184 | V126-L180 HydrophobicContact CG1-CB 3.94Å; V126-L180 HydrophobicContact CG1-CD2 4.32Å; V126-L180 HydrophobicContact CG1-CG 4.48Å; W164-L180 HydrophobicContact CE3-CD2 3.52Å; W164-L180 HydrophobicContact CZ3-CD2 3.83Å; C165-L180 VanDerWaalsContact SG-CD2 3.6Å; Y176-L180 WeakPolarHBondContact O-CB 3.36Å; Y176-L180 PolarHBondContact O-N 3.5Å; L177-L180 HydrophobicContact CD2-CD2 4.27Å; L177-L180 PolarHBondContact O-N 2.94Å; L180-A182 PolarHBondContact O-N 2.93Å; L180-S183 CarbonylContact O-C 3.56Å; L180-S183 WeakPolarHBondContact O-CA 3.28Å; L180-S183 WeakPolarHBondContact O-CB 3.44Å; L180-S183 PolarHBondContact O-N 3.46Å; L180-V184 HydrophobicContact CD1-CG2 4.47Å; L180-V184 HydrophobicContact CG-CG2 4.39Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 2.87Å |
| 181 | H | 92.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.2 | -46.2 | -179.2 | 179.2 | -93.6 | 0 | 0 | 0 | 112 | L177 V178 S183 V184 Y185 M223 | L177-H181 VanDerWaalsContact O-CB 3.24Å; L177-H181 WeakPolarHBondContact O-CB 3.33Å; L177-H181 PolarHBondContact O-N 3.17Å; V178-H181 PolarHBondContact O-N 2.94Å; H181-S183 PolarHBondContact O-N 2.84Å; H181-V184 PolarHBondContact O-N 3.3Å; H181-V184 VanDerWaalsContact O-N 3.16Å; H181-Y185 PolarHBondContact O-N 3.39Å; H181-M223 VanDerWaalsContact NE2-CE 3.27Å; H181-M223 WeakPolarHBondContact NE2-CE 3.44Å |
| 182 | A | 92.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 28 Ų | 28 | 34% | 0.339 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.7 | -33.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V178 L180 A186 | V178-A182 PolarHBondContact O-N 3.38Å; V178-A182 VanDerWaalsContact O-N 3.08Å; L180-A182 PolarHBondContact O-N 2.93Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.11Å |
| 183 | S | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76.6 | -32.5 | 176 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | T130 V133 I137 H179 L180 H181 A186 L187 | T130-S183 WeakPolarHBondContact CG2-OG 3.47Å; V133-S183 WeakPolarHBondContact CG1-O 3.49Å; I137-S183 WeakPolarHBondContact CD1-O 3.47Å; H179-S183 PolarHBondContact O-N 3.28Å; H179-S183 PolarHBondContact O-OG 3.49Å; L180-S183 CarbonylContact O-C 3.56Å; L180-S183 WeakPolarHBondContact O-CA 3.28Å; L180-S183 WeakPolarHBondContact O-CB 3.44Å; L180-S183 PolarHBondContact O-N 3.46Å; H181-S183 PolarHBondContact O-N 2.84Å; S183-A186 PolarHBondContact O-N 3.15Å; S183-L187 WeakPolarHBondContact O-CB 3.39Å; S183-L187 PolarHBondContact O-N 3.1Å |
| 184 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69 | -36.4 | 170.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | F158 L161 L180 H181 L187 F188 M223 | F158-V184 HydrophobicContact CD2-CG1 3.93Å; F158-V184 HydrophobicContact CE2-CG1 3.7Å; L161-V184 HydrophobicContact CB-CG2 3.69Å; L180-V184 HydrophobicContact CD1-CG2 4.47Å; L180-V184 HydrophobicContact CG-CG2 4.39Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 2.87Å; H181-V184 PolarHBondContact O-N 3.3Å; H181-V184 VanDerWaalsContact O-N 3.16Å; V184-L187 WeakPolarHBondContact O-CB 3.39Å; V184-L187 PolarHBondContact O-N 2.91Å; V184-F188 WeakPolarHBondContact O-CB 3.4Å; V184-F188 PolarHBondContact O-N 3.24Å; V184-M223 HydrophobicContact CG1-CE 4.15Å |
| 185 | Y | 94.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 19.1 Ų | 19.1 | 10% | 0.102 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 171.2 | 178.8 | -124.7 | 0 | 0 | 0 | 111.7 | H181 L187 F188 H189 M223 H226 D265 E268 | H181-Y185 PolarHBondContact O-N 3.39Å; Y185-L187 PolarHBondContact O-N 3.21Å; Y185-F188 HydrophobicContact CD2-CD1 4.32Å; Y185-F188 HydrophobicContact CE2-CD1 4.34Å; Y185-F188 WeakPolarHBondContact O-CB 3.41Å; Y185-F188 PolarHBondContact O-N 2.81Å; Y185-F188 VanDerWaalsContact O-N 3.17Å; Y185-H189 WeakPolarHBondContact O-CB 3.41Å; Y185-H189 PolarHBondContact O-N 3.17Å; Y185-M223 HydrophobicContact CD2-CB 3.95Å; Y185-M223 HydrophobicContact CD2-CG 3.64Å; Y185-M223 HydrophobicContact CD2-SD 4.1Å; Y185-M223 HydrophobicContact CE2-CB 4.22Å; Y185-M223 HydrophobicContact CE2-CG 4.33Å; Y185-H226 HydrophobicContact CE2-CB 4.38Å; Y185-H226 WeakPolarHBondContact OH-CB 3.32Å; Y185-D265 WeakPolarHBondContact OH-CB 3.34Å; Y185-E268 HydrophobicContact CE1-CG 4.05Å |
| 186 | A | 93.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -30.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I137 A182 S183 R190 Y704 | I137-A186 HydrophobicContact CD1-CB 3.76Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.11Å; S183-A186 PolarHBondContact O-N 3.15Å; A186-R190 VanDerWaalsContact O-CB 3.3Å; A186-R190 WeakPolarHBondContact O-CB 3.5Å; A186-R190 PolarHBondContact O-N 3.44Å; A186-R190 VanDerWaalsContact O-N 3.09Å; A186-Y704 HydrophobicContact CB-CE1 3.93Å |
| 187 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71.1 | -46.4 | 171.3 | -176.4 | 61.4 | 0 | 0 | 0 | 111.9 | V133 L136 I137 L140 I157 F158 S183 V184 Y185 H189 R190 L191 | V133-L187 HydrophobicContact CG1-CB 4.24Å; V133-L187 HydrophobicContact CG1-CD2 4.47Å; L136-L187 HydrophobicContact CD2-CD1 4.38Å; I137-L187 HydrophobicContact CD1-CB 3.98Å; I137-L187 HydrophobicContact CG1-CB 4.13Å; I137-L187 HydrophobicContact CG1-CD1 3.99Å; L140-L187 HydrophobicContact CD1-CD1 4.23Å; I157-L187 HydrophobicContact CG2-CD2 4.24Å; F158-L187 HydrophobicContact CB-CD2 4.1Å; S183-L187 WeakPolarHBondContact O-CB 3.39Å; S183-L187 PolarHBondContact O-N 3.1Å; V184-L187 WeakPolarHBondContact O-CB 3.39Å; V184-L187 PolarHBondContact O-N 2.91Å; Y185-L187 PolarHBondContact O-N 3.21Å; L187-H189 VanDerWaalsContact C-N 3.35Å; L187-H189 PolarHBondContact O-N 2.74Å; L187-R190 PolarHBondContact O-N 3.28Å; L187-L191 HydrophobicContact CD1-CD1 3.91Å; L187-L191 HydrophobicContact CD1-CG 4.01Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 HydrophobicContact CG-CG 4.32Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 3.05Å |
| 188 | F | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.6 | -50.9 | 173.2 | 169.8 | -89.7 | 0 | 0 | 0 | 111 | F158 V184 Y185 R190 L191 Y192 F199 L203 V220 M223 M224 V227 | F158-F188 HydrophobicContact CD2-CB 4.43Å; F158-F188 HydrophobicContact CE2-CB 3.73Å; F158-F188 HydrophobicContact CE2-CD2 4.24Å; F158-F188 HydrophobicContact CE2-CG 4.48Å; F158-F188 HydrophobicContact CZ-CB 4.23Å; F158-F188 AromaticContact CZ-CD2 3.85Å; F158-F188 HydrophobicContact CZ-CD2 3.85Å; V184-F188 WeakPolarHBondContact O-CB 3.4Å; V184-F188 PolarHBondContact O-N 3.24Å; Y185-F188 HydrophobicContact CD2-CD1 4.32Å; Y185-F188 HydrophobicContact CE2-CD1 4.34Å; Y185-F188 WeakPolarHBondContact O-CB 3.41Å; Y185-F188 PolarHBondContact O-N 2.81Å; Y185-F188 VanDerWaalsContact O-N 3.17Å; F188-R190 VanDerWaalsContact C-N 3.31Å; F188-R190 PolarHBondContact O-N 2.88Å; F188-L191 PolarHBondContact O-N 3.41Å; F188-Y192 VanDerWaalsContact O-CB 3.29Å; F188-Y192 WeakPolarHBondContact O-CB 3.46Å; F188-Y192 PolarHBondContact O-N 3.35Å; F188-F199 AromaticContact CD2-CE1 3.56Å; F188-F199 HydrophobicContact CD2-CE1 3.56Å; F188-F199 AromaticContact CD2-CZ 3.83Å; F188-F199 HydrophobicContact CD2-CZ 3.83Å; F188-F199 AromaticContact CE2-CE1 3.83Å; F188-F199 HydrophobicContact CE2-CE1 3.83Å; F188-F199 HydrophobicContact CE2-CZ 4.41Å; F188-F199 HydrophobicContact CG-CE1 4.31Å; F188-L203 HydrophobicContact CE2-CD1 4.29Å; F188-V220 HydrophobicContact CE2-CG1 4.27Å; F188-M223 HydrophobicContact CB-SD 3.91Å; F188-M223 HydrophobicContact CD1-CB 3.74Å; F188-M223 HydrophobicContact CD2-CB 4.24Å; F188-M223 HydrophobicContact CE1-CB 3.86Å; F188-M223 VanDerWaalsContact CE1-O 3.32Å; F188-M223 WeakPolarHBondContact CE1-O 3.49Å; F188-M223 HydrophobicContact CE2-CB 4.34Å; F188-M223 HydrophobicContact CG-CB 3.97Å; F188-M223 HydrophobicContact CG-SD 4.13Å; F188-M223 HydrophobicContact CZ-CB 4.17Å; F188-M224 HydrophobicContact CE2-CG 3.9Å; F188-M224 HydrophobicContact CZ-CB 4.41Å; F188-M224 HydrophobicContact CZ-CG 3.64Å; F188-V227 HydrophobicContact CE1-CG1 4Å; F188-V227 HydrophobicContact CE1-CG2 3.91Å; F188-V227 HydrophobicContact CZ-CG2 4.08Å |
| 189 | H | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | -179.7 | -168.1 | -135 | 0 | 0 | 0 | 111.3 | Y185 L187 G193 C259 S263 E268 | Y185-H189 WeakPolarHBondContact O-CB 3.41Å; Y185-H189 PolarHBondContact O-N 3.17Å; L187-H189 VanDerWaalsContact C-N 3.35Å; L187-H189 PolarHBondContact O-N 2.74Å; H189-G193 PolarHBondContact O-N 3.4Å; H189-C259 PolarHBondContact CE1-O 2.89Å; H189-C259 VanDerWaalsContact CE1-O 3.27Å; H189-C259 PolarHBondContact NE2-O 2.73Å; H189-C259 VanDerWaalsContact NE2-O 3.16Å; H189-S263 VanDerWaalsContact NE2-CB 3.29Å; H189-S263 WeakPolarHBondContact NE2-CB 3.37Å; H189-S263 PolarHBondContact NE2-OG 3.32Å; H189-E268 IonicContact CE1-OE2 2.67Å; H189-E268 IonicContact ND1-OE2 2.71Å; H189-E268 PolarHBondContact ND1-OE2 3.45Å |
| 190 | R | 93.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | 175.6 | -167.9 | 64.9 | 58 | -158.6 | -4.9 | 112.9 | I137 L140 A186 L187 F188 M194 Y704 | I137-R190 HydrophobicContact CG2-CB 4.01Å; I137-R190 HydrophobicContact CG2-CG 4.04Å; L140-R190 HydrophobicContact CB-CG 4.1Å; L140-R190 HydrophobicContact CD1-CG 3.82Å; A186-R190 VanDerWaalsContact O-CB 3.3Å; A186-R190 WeakPolarHBondContact O-CB 3.5Å; A186-R190 PolarHBondContact O-N 3.44Å; A186-R190 VanDerWaalsContact O-N 3.09Å; L187-R190 PolarHBondContact O-N 3.28Å; F188-R190 VanDerWaalsContact C-N 3.31Å; F188-R190 PolarHBondContact O-N 2.88Å; R190-M194 HydrophobicContact CG-SD 3.97Å; R190-M194 VanDerWaalsContact O-CB 3.24Å; R190-M194 WeakPolarHBondContact O-CB 3.4Å; R190-M194 VanDerWaalsContact O-CG 3.3Å; R190-M194 WeakPolarHBondContact O-CG 3.4Å; R190-M194 PolarHBondContact O-N 2.88Å; R190-Y704 PolarHBondContact NH2-OH 3.29Å |
| 191 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | -177.9 | -68.7 | 173.7 | 0 | 0 | 0 | 111.8 | L140 F154 F155 F158 L187 F188 Y195 F199 | L140-L191 HydrophobicContact CD1-CD2 4.19Å; F154-L191 HydrophobicContact CB-CD2 3.92Å; F154-L191 HydrophobicContact CD2-CD2 4.32Å; F155-L191 HydrophobicContact CD1-CD1 4.17Å; F155-L191 HydrophobicContact CD1-CD2 4.4Å; F155-L191 HydrophobicContact CE1-CD2 4.21Å; F158-L191 HydrophobicContact CB-CD1 4.08Å; L187-L191 HydrophobicContact CD1-CD1 3.91Å; L187-L191 HydrophobicContact CD1-CG 4.01Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 HydrophobicContact CG-CG 4.32Å; L187-L191 WeakPolarHBondContact O-CB 3.48Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 3.05Å; F188-L191 PolarHBondContact O-N 3.41Å; L191-Y195 HydrophobicContact CD2-CD2 4.25Å; L191-Y195 CarbonylContact O-C 3.53Å; L191-Y195 WeakPolarHBondContact O-CA 3.47Å; L191-Y195 PolarHBondContact O-N 2.8Å; L191-F199 HydrophobicContact CB-CD1 4.02Å; L191-F199 HydrophobicContact CB-CD2 4.11Å; L191-F199 HydrophobicContact CB-CE1 4.03Å; L191-F199 HydrophobicContact CB-CE2 4.13Å; L191-F199 HydrophobicContact CB-CG 4.05Å; L191-F199 HydrophobicContact CB-CZ 4.08Å; L191-F199 HydrophobicContact CD1-CD2 4.38Å; L191-F199 HydrophobicContact CD1-CE2 3.93Å; L191-F199 HydrophobicContact CD1-CZ 4.26Å |
| 192 | Y | 95.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 10.9 Ų | 10.9 | 6% | 0.059 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -73 | -36.5 | 176 | -173.9 | -108.2 | 0 | 0 | 0 | 112.4 | F188 P196 F199 V200 V227 R228 H230 L233 I262 | F188-Y192 VanDerWaalsContact O-CB 3.29Å; F188-Y192 WeakPolarHBondContact O-CB 3.46Å; F188-Y192 PolarHBondContact O-N 3.35Å; Y192-P196 WeakPolarHBondContact O-CB 3.39Å; Y192-F199 HydrophobicContact CD2-CD1 4.3Å; Y192-V200 HydrophobicContact CD2-CG2 4.02Å; Y192-V200 HydrophobicContact CE2-CG2 3.62Å; Y192-V227 HydrophobicContact CD1-CB 4Å; Y192-V227 HydrophobicContact CD1-CG1 4.21Å; Y192-V227 HydrophobicContact CD1-CG2 3.83Å; Y192-V227 HydrophobicContact CE1-CB 3.89Å; Y192-V227 HydrophobicContact CE1-CG2 3.69Å; Y192-R228 WeakPolarHBondContact CE1-O 3.47Å; Y192-R228 PolarHBondContact OH-O 3.08Å; Y192-H230 HydrophobicContact CE1-CB 4.13Å; Y192-H230 PolarHBondContact OH-N 2.98Å; Y192-H230 VanDerWaalsContact OH-N 3.12Å; Y192-L233 HydrophobicContact CE2-CD1 4.01Å; Y192-L233 VanDerWaalsContact OH-CD1 3.26Å; Y192-L233 WeakPolarHBondContact OH-CD1 3.27Å; Y192-I262 HydrophobicContact CD1-CD1 3.48Å; Y192-I262 VanDerWaalsContact CD1-CD1 3.48Å; Y192-I262 HydrophobicContact CE1-CD1 3.95Å; Y192-I262 HydrophobicContact CG-CD1 4.49Å |
| 193 | G | 93.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -74 | -29.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H189 H230 | H189-G193 PolarHBondContact O-N 3.4Å; G193-H230 PolarHBondContact O-NE2 2.83Å |
| 194 | M | 93.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -94.2 | -39 | 179.2 | -69.2 | -172.3 | 61.7 | 0 | 0 | 114 | L140 P141 P144 R190 P196 R246 W247 V255 | L140-M194 HydrophobicContact CB-CE 4.45Å; L140-M194 HydrophobicContact CB-SD 3.89Å; L140-M194 WeakPolarHBondContact O-CE 3.39Å; P141-M194 HydrophobicContact CG-SD 4.24Å; P144-M194 HydrophobicContact CB-CE 3.68Å; R190-M194 HydrophobicContact CG-SD 3.97Å; R190-M194 VanDerWaalsContact O-CB 3.24Å; R190-M194 WeakPolarHBondContact O-CB 3.4Å; R190-M194 VanDerWaalsContact O-CG 3.3Å; R190-M194 WeakPolarHBondContact O-CG 3.4Å; R190-M194 PolarHBondContact O-N 2.88Å; M194-P196 VanDerWaalsContact C-CD 3.48Å; M194-R246 PolarHBondContact O-NH1 2.93Å; M194-W247 HydrophobicContact CB-CH2 3.92Å; M194-W247 HydrophobicContact CE-CH2 3.71Å; M194-W247 HydrophobicContact CE-CZ2 4.29Å; M194-W247 HydrophobicContact CE-CZ3 4.07Å; M194-W247 HydrophobicContact CG-CH2 4.12Å; M194-V255 HydrophobicContact CE-CG1 3.91Å; M194-V255 HydrophobicContact CG-CG1 3.95Å; M194-V255 HydrophobicContact SD-CG1 3.85Å |
| 195 | Y | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -132.6 | 52.3 | -169.3 | -56.6 | -70.1 | 0 | 0 | 0 | 112.8 | P144 L151 L191 C197 F199 E241 L242 W247 | P144-Y195 PolarHBondContact O-OH 3.29Å; L151-Y195 HydrophobicContact CD1-CD1 3.81Å; L151-Y195 HydrophobicContact CD1-CD2 3.73Å; L151-Y195 HydrophobicContact CD1-CE1 4.18Å; L151-Y195 HydrophobicContact CD1-CE2 4.1Å; L151-Y195 HydrophobicContact CD1-CG 3.57Å; L191-Y195 HydrophobicContact CD2-CD2 4.25Å; L191-Y195 CarbonylContact O-C 3.53Å; L191-Y195 WeakPolarHBondContact O-CA 3.47Å; L191-Y195 PolarHBondContact O-N 2.8Å; Y195-C197 PolarHBondContact O-N 2.82Å; Y195-F199 WeakPolarHBondContact O-CB 3.21Å; Y195-F199 PolarHBondContact O-N 3.28Å; Y195-E241 VanDerWaalsContact CA-OE1 3.27Å; Y195-E241 WeakPolarHBondContact CA-OE1 3.41Å; Y195-E241 VanDerWaalsContact CB-OE1 3.26Å; Y195-E241 WeakPolarHBondContact CB-OE1 3.23Å; Y195-E241 HydrophobicContact CD1-CG 4.27Å; Y195-E241 WeakPolarHBondContact CD1-OE1 3.14Å; Y195-L242 HydrophobicContact CD1-CD2 3.88Å; Y195-L242 HydrophobicContact CE1-CD2 3.96Å; Y195-W247 HydrophobicContact CD1-CZ2 4.41Å; Y195-W247 AromaticContact CE1-CZ2 3.87Å; Y195-W247 HydrophobicContact CE1-CZ2 3.87Å | ||
| 196 | P | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | -168.2 | 25 | -37.6 | 0 | 0 | 0 | 114.6 | Y192 M194 V200 H230 E232 L233 | Y192-P196 WeakPolarHBondContact O-CB 3.39Å; M194-P196 VanDerWaalsContact C-CD 3.48Å; P196-V200 VanDerWaalsContact O-CB 3.25Å; P196-V200 WeakPolarHBondContact O-CB 3.3Å; P196-V200 VanDerWaalsContact O-CG2 3.22Å; P196-V200 WeakPolarHBondContact O-CG2 3.42Å; P196-V200 PolarHBondContact O-N 3.18Å; P196-H230 HydrophobicContact CB-CB 3.82Å; P196-H230 HydrophobicContact CG-CB 4.4Å; P196-E232 HydrophobicContact CG-CB 4.12Å; P196-L233 HydrophobicContact CB-CD2 4.02Å; P196-L233 HydrophobicContact CB-CG 4.07Å |
| 197 | C | 94.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 12% | 0.122 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.6 | -40.4 | -174.1 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | Y195 S201 E232 K238 E241 | Y195-C197 PolarHBondContact O-N 2.82Å; C197-S201 WeakPolarHBondContact O-CB 3.37Å; C197-S201 PolarHBondContact O-N 3.29Å; C197-E232 PolarHBondContact SG-O 3.07Å; C197-K238 HydrophobicContact CB-CG 4.39Å; C197-E241 VanDerWaalsContact CA-OE2 3.31Å; C197-E241 WeakPolarHBondContact CA-OE2 3.24Å; C197-E241 VanDerWaalsContact CB-OE2 3.25Å; C197-E241 WeakPolarHBondContact CB-OE2 3.4Å; C197-E241 PolarHBondContact N-OE2 2.86Å |
| 198 | N | 94.7 | Very high | 94.1 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.6 | -41.7 | 173.9 | -74.7 | -62.4 | 0 | 0 | 0 | 111.6 | L151 F155 S201 F202 K238 E241 | L151-N198 HydrophobicContact CD2-CB 3.66Å; F155-N198 HydrophobicContact CE2-CB 4.02Å; F155-N198 HydrophobicContact CZ-CB 3.96Å; N198-S201 WeakPolarHBondContact O-CB 3.38Å; N198-S201 PolarHBondContact O-N 2.91Å; N198-F202 PolarHBondContact O-N 2.76Å; N198-K238 PolarHBondContact ND2-O 3.36Å; N198-K238 WeakPolarHBondContact OD1-CB 3.39Å; N198-K238 WeakPolarHBondContact OD1-CG 3.1Å; N198-E241 WeakPolarHBondContact CB-OE1 3.48Å; N198-E241 PolarHBondContact N-OE2 3.19Å; N198-E241 PolarHBondContact ND2-OE1 2.87Å |
| 199 | F | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -47.7 | 180 | -172.1 | -131.8 | 0 | 0 | 0 | 111.7 | F155 F158 F188 L191 Y192 Y195 S201 F202 L203 | F155-F199 AromaticContact CD1-CD2 3.61Å; F155-F199 HydrophobicContact CD1-CD2 3.61Å; F155-F199 HydrophobicContact CD1-CE2 4.21Å; F155-F199 HydrophobicContact CE1-CB 3.81Å; F155-F199 AromaticContact CE1-CD2 3.55Å; F155-F199 HydrophobicContact CE1-CD2 3.55Å; F155-F199 HydrophobicContact CE1-CE2 4.5Å; F155-F199 HydrophobicContact CE1-CG 4.06Å; F155-F199 HydrophobicContact CG-CD2 4.29Å; F155-F199 VanDerWaalsContact CZ-CA 3.49Å; F155-F199 HydrophobicContact CZ-CB 3.8Å; F155-F199 HydrophobicContact CZ-CD2 4.18Å; F155-F199 HydrophobicContact CZ-CG 4.47Å; F158-F199 AromaticContact CD1-CE2 3.62Å; F158-F199 HydrophobicContact CD1-CE2 3.62Å; F158-F199 AromaticContact CD1-CZ 3.69Å; F158-F199 HydrophobicContact CD1-CZ 3.69Å; F158-F199 HydrophobicContact CD2-CZ 4.46Å; F158-F199 HydrophobicContact CE1-CE2 4.04Å; F158-F199 AromaticContact CE1-CZ 3.7Å; F158-F199 HydrophobicContact CE1-CZ 3.7Å; F158-F199 HydrophobicContact CE2-CZ 4.49Å; F158-F199 HydrophobicContact CG-CE2 4.1Å; F158-F199 HydrophobicContact CG-CZ 4.09Å; F158-F199 HydrophobicContact CZ-CZ 4.12Å; F188-F199 AromaticContact CD2-CE1 3.56Å; F188-F199 HydrophobicContact CD2-CE1 3.56Å; F188-F199 AromaticContact CD2-CZ 3.83Å; F188-F199 HydrophobicContact CD2-CZ 3.83Å; F188-F199 AromaticContact CE2-CE1 3.83Å; F188-F199 HydrophobicContact CE2-CE1 3.83Å; F188-F199 HydrophobicContact CE2-CZ 4.41Å; F188-F199 HydrophobicContact CG-CE1 4.31Å; L191-F199 HydrophobicContact CB-CD1 4.02Å; L191-F199 HydrophobicContact CB-CD2 4.11Å; L191-F199 HydrophobicContact CB-CE1 4.03Å; L191-F199 HydrophobicContact CB-CE2 4.13Å; L191-F199 HydrophobicContact CB-CG 4.05Å; L191-F199 HydrophobicContact CB-CZ 4.08Å; L191-F199 HydrophobicContact CD1-CD2 4.38Å; L191-F199 HydrophobicContact CD1-CE2 3.93Å; L191-F199 HydrophobicContact CD1-CZ 4.26Å; Y192-F199 HydrophobicContact CD2-CD1 4.3Å; Y195-F199 WeakPolarHBondContact O-CB 3.21Å; Y195-F199 PolarHBondContact O-N 3.28Å; F199-S201 PolarHBondContact O-N 3.01Å; F199-F202 HydrophobicContact CD2-CD1 4.2Å; F199-F202 HydrophobicContact CE2-CD1 4.25Å; F199-F202 CarbonylContact O-C 3.51Å; F199-F202 WeakPolarHBondContact O-CA 3.15Å; F199-F202 WeakPolarHBondContact O-CB 3.3Å; F199-F202 PolarHBondContact O-N 2.96Å; F199-L203 HydrophobicContact CD1-CD1 4.33Å; F199-L203 HydrophobicContact CD2-CD2 4.45Å; F199-L203 HydrophobicContact CD2-CG 4.48Å; F199-L203 HydrophobicContact CE1-CD1 4.19Å; F199-L203 HydrophobicContact CE1-CD2 4.39Å; F199-L203 HydrophobicContact CE1-CG 4.46Å; F199-L203 HydrophobicContact CE2-CD2 3.94Å; F199-L203 HydrophobicContact CE2-CG 4.41Å; F199-L203 HydrophobicContact CZ-CD2 3.91Å; F199-L203 HydrophobicContact CZ-CG 4.4Å; F199-L203 WeakPolarHBondContact O-CG 3.39Å; F199-L203 PolarHBondContact O-N 2.82Å |
| 200 | V | 95.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 21% | 0.212 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -33.8 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | Y192 P196 R204 L233 | Y192-V200 HydrophobicContact CD2-CG2 4.02Å; Y192-V200 HydrophobicContact CE2-CG2 3.62Å; P196-V200 VanDerWaalsContact O-CB 3.25Å; P196-V200 WeakPolarHBondContact O-CB 3.3Å; P196-V200 VanDerWaalsContact O-CG2 3.22Å; P196-V200 WeakPolarHBondContact O-CG2 3.42Å; P196-V200 PolarHBondContact O-N 3.18Å; V200-R204 WeakPolarHBondContact O-CB 3.42Å; V200-R204 PolarHBondContact O-N 3.08Å; V200-L233 HydrophobicContact CB-CD2 4.22Å; V200-L233 HydrophobicContact CG2-CD1 4.34Å; V200-L233 HydrophobicContact CG2-CD2 4.02Å |
| 201 | S | 94 | Very high | 93.4 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | C197 N198 F199 R204 S205 K238 | C197-S201 WeakPolarHBondContact O-CB 3.37Å; C197-S201 PolarHBondContact O-N 3.29Å; N198-S201 WeakPolarHBondContact O-CB 3.38Å; N198-S201 PolarHBondContact O-N 2.91Å; F199-S201 PolarHBondContact O-N 3.01Å; S201-R204 PolarHBondContact O-N 3.09Å; S201-S205 PolarHBondContact O-N 3.19Å; S201-S205 PolarHBondContact O-OG 2.67Å; S201-K238 WeakPolarHBondContact OG-CE 3.38Å; S201-K238 PolarHBondContact OG-NZ 3.48Å |
| 202 | F | 95.2 | Very high | 93.2 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.6 | 165.4 | -94 | 0 | 0 | 0 | 111.2 | F155 F158 N198 F199 R204 S205 H206 Y207 | F155-F202 HydrophobicContact CB-CB 4.39Å; F155-F202 HydrophobicContact CB-CD1 3.8Å; F155-F202 HydrophobicContact CB-CD2 3.62Å; F155-F202 HydrophobicContact CB-CE1 3.93Å; F155-F202 HydrophobicContact CB-CE2 3.73Å; F155-F202 HydrophobicContact CB-CG 3.65Å; F155-F202 HydrophobicContact CB-CZ 3.9Å; F155-F202 HydrophobicContact CD2-CB 3.46Å; F155-F202 VanDerWaalsContact CD2-CB 3.46Å; F155-F202 HydrophobicContact CD2-CD1 4.36Å; F155-F202 HydrophobicContact CD2-CD2 4.02Å; F155-F202 AromaticContact CD2-CG 3.68Å; F155-F202 HydrophobicContact CD2-CG 3.68Å; F155-F202 HydrophobicContact CE2-CB 3.86Å; F155-F202 HydrophobicContact CG-CB 4.07Å; F155-F202 HydrophobicContact CG-CD1 4.11Å; F155-F202 HydrophobicContact CG-CD2 4.22Å; F155-F202 AromaticContact CG-CG 3.86Å; F155-F202 HydrophobicContact CG-CG 3.86Å; F155-F202 WeakPolarHBondContact O-CE1 3.39Å; F155-F202 WeakPolarHBondContact O-CZ 3.33Å; F158-F202 HydrophobicContact CD1-CE1 4.28Å; N198-F202 PolarHBondContact O-N 2.76Å; F199-F202 HydrophobicContact CD2-CD1 4.2Å; F199-F202 HydrophobicContact CE2-CD1 4.25Å; F199-F202 CarbonylContact O-C 3.51Å; F199-F202 WeakPolarHBondContact O-CA 3.15Å; F199-F202 WeakPolarHBondContact O-CB 3.3Å; F199-F202 PolarHBondContact O-N 2.96Å; F202-R204 VanDerWaalsContact C-N 3.26Å; F202-R204 PolarHBondContact O-N 3.5Å; F202-S205 WeakPolarHBondContact CA-OG 3.03Å; F202-S205 PolarHBondContact O-N 3.32Å; F202-S205 VanDerWaalsContact O-N 3.12Å; F202-S205 PolarHBondContact O-OG 3.46Å; F202-S205 VanDerWaalsContact O-OG 3.07Å; F202-H206 HydrophobicContact CD1-CB 4.48Å; F202-H206 HydrophobicContact CD2-CB 4.28Å; F202-H206 HydrophobicContact CE1-CB 4.05Å; F202-H206 HydrophobicContact CE2-CB 3.85Å; F202-H206 AromaticContact CE2-CD2 3.73Å; F202-H206 AromaticContact CE2-CG 4Å; F202-H206 HydrophobicContact CZ-CB 3.71Å; F202-H206 AromaticContact CZ-CD2 3.48Å; F202-H206 VanDerWaalsContact CZ-CD2 3.48Å; F202-H206 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H206 AromaticContact CZ-CG 3.58Å; F202-H206 VanDerWaalsContact O-CB 3.23Å; F202-H206 WeakPolarHBondContact O-CB 3.3Å; F202-H206 PolarHBondContact O-N 3.29Å; F202-Y207 HydrophobicContact CE1-CE2 4.45Å |
| 203 | L | 95.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -46.7 | 176.5 | -64.7 | -176.9 | 0 | 0 | 0 | 110 | F158 F188 F199 S205 Y207 V220 M224 | F158-L203 HydrophobicContact CD1-CD2 4.34Å; F158-L203 HydrophobicContact CE1-CD2 3.72Å; F188-L203 HydrophobicContact CE2-CD1 4.29Å; F199-L203 HydrophobicContact CD1-CD1 4.33Å; F199-L203 HydrophobicContact CD2-CD2 4.45Å; F199-L203 HydrophobicContact CD2-CG 4.48Å; F199-L203 HydrophobicContact CE1-CD1 4.19Å; F199-L203 HydrophobicContact CE1-CD2 4.39Å; F199-L203 HydrophobicContact CE1-CG 4.46Å; F199-L203 HydrophobicContact CE2-CD2 3.94Å; F199-L203 HydrophobicContact CE2-CG 4.41Å; F199-L203 HydrophobicContact CZ-CD2 3.91Å; F199-L203 HydrophobicContact CZ-CG 4.4Å; F199-L203 WeakPolarHBondContact O-CG 3.39Å; F199-L203 PolarHBondContact O-N 2.82Å; L203-S205 PolarHBondContact O-N 3.25Å; L203-Y207 HydrophobicContact CB-CD2 4.33Å; L203-Y207 HydrophobicContact CD2-CD2 3.95Å; L203-Y207 HydrophobicContact CD2-CE2 3.59Å; L203-Y207 WeakPolarHBondContact O-CB 3.43Å; L203-Y207 WeakPolarHBondContact O-CD2 3.42Å; L203-Y207 PolarHBondContact O-N 3.16Å; L203-V220 HydrophobicContact CD1-CG1 4.33Å; L203-V220 HydrophobicContact CD2-CG1 4.07Å; L203-M224 HydrophobicContact CD1-SD 4.23Å |
| 204 | R | 94.1 | Very high | 93 | Very high | 192 Ų | 192 | 58.7 Ų | 58.7 | 73% | 0.725 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.8 | -39.9 | 177.1 | -173.6 | 177.9 | -67.8 | 173.8 | -0.2 | 113.3 | V200 S201 F202 S208 | V200-R204 WeakPolarHBondContact O-CB 3.42Å; V200-R204 PolarHBondContact O-N 3.08Å; S201-R204 PolarHBondContact O-N 3.09Å; F202-R204 VanDerWaalsContact C-N 3.26Å; F202-R204 PolarHBondContact O-N 3.5Å; R204-S208 VanDerWaalsContact O-CB 3.26Å; R204-S208 WeakPolarHBondContact O-CB 3.18Å; R204-S208 PolarHBondContact O-OG 2.81Å |
| 205 | S | 93.3 | Very high | 93 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -80.3 | -33.8 | 179.9 | 53.8 | 0 | 0 | 0 | 0 | 114 | S201 F202 L203 S208 | S201-S205 PolarHBondContact O-N 3.19Å; S201-S205 PolarHBondContact O-OG 2.67Å; F202-S205 WeakPolarHBondContact CA-OG 3.03Å; F202-S205 PolarHBondContact O-N 3.32Å; F202-S205 VanDerWaalsContact O-N 3.12Å; F202-S205 PolarHBondContact O-OG 3.46Å; F202-S205 VanDerWaalsContact O-OG 3.07Å; L203-S205 PolarHBondContact O-N 3.25Å; S205-S208 PolarHBondContact O-OG 2.8Å |
| 206 | H | 93.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80 | -44.1 | -176.5 | -174.1 | -86.7 | 0 | 0 | 0 | 111.7 | F202 N212 | F202-H206 HydrophobicContact CD1-CB 4.48Å; F202-H206 HydrophobicContact CD2-CB 4.28Å; F202-H206 HydrophobicContact CE1-CB 4.05Å; F202-H206 HydrophobicContact CE2-CB 3.85Å; F202-H206 AromaticContact CE2-CD2 3.73Å; F202-H206 AromaticContact CE2-CG 4Å; F202-H206 HydrophobicContact CZ-CB 3.71Å; F202-H206 AromaticContact CZ-CD2 3.48Å; F202-H206 VanDerWaalsContact CZ-CD2 3.48Å; F202-H206 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H206 AromaticContact CZ-CG 3.58Å; F202-H206 VanDerWaalsContact O-CB 3.23Å; F202-H206 WeakPolarHBondContact O-CB 3.3Å; F202-H206 PolarHBondContact O-N 3.29Å; H206-N212 PolarHBondContact CE1-ND2 3.32Å; H206-N212 WeakPolarHBondContact O-CB 3.35Å; H206-N212 PolarHBondContact O-ND2 2.84Å |
| 207 | Y | 93.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -94.2 | -1.6 | -173.6 | -63.5 | -73.8 | 0 | 0 | 0 | 114.7 | F158 S162 F202 L203 M209 N212 T215 F216 V220 | F158-Y207 HydrophobicContact CE1-CE2 4.21Å; S162-Y207 PolarHBondContact OG-OH 3.19Å; F202-Y207 HydrophobicContact CE1-CE2 4.45Å; L203-Y207 HydrophobicContact CB-CD2 4.33Å; L203-Y207 HydrophobicContact CD2-CD2 3.95Å; L203-Y207 HydrophobicContact CD2-CE2 3.59Å; L203-Y207 WeakPolarHBondContact O-CB 3.43Å; L203-Y207 WeakPolarHBondContact O-CD2 3.42Å; L203-Y207 PolarHBondContact O-N 3.16Å; Y207-M209 VanDerWaalsContact C-N 3.27Å; Y207-N212 HydrophobicContact CD1-CB 3.76Å; Y207-N212 WeakPolarHBondContact CD1-O 3.41Å; Y207-N212 HydrophobicContact CE1-CB 4.26Å; Y207-T215 HydrophobicContact CE1-CG2 3.9Å; Y207-F216 HydrophobicContact CD1-CB 3.73Å; Y207-F216 HydrophobicContact CD2-CD2 4.43Å; Y207-F216 HydrophobicContact CG-CB 3.92Å; Y207-F216 HydrophobicContact CG-CD2 4.11Å; Y207-F216 HydrophobicContact CG-CG 4.42Å; Y207-V220 HydrophobicContact CE1-CG2 3.95Å; Y207-V220 HydrophobicContact CE2-CG2 3.93Å |
| 208 | S | 90.8 | Very high | 92.8 | Very high | 91 Ų | 91 | 70.3 Ų | 70.3 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.8 | 163.9 | 49.5 | 0 | 0 | 0 | 0 | 113 | R204 S205 | R204-S208 VanDerWaalsContact O-CB 3.26Å; R204-S208 WeakPolarHBondContact O-CB 3.18Å; R204-S208 PolarHBondContact O-OG 2.81Å; S205-S208 PolarHBondContact O-OG 2.8Å |
| 209 | M | 90.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 52% | 0.522 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -72.4 | 129.1 | 170.4 | -61.8 | -59.2 | -170.6 | 0 | 0 | 110.3 | Y207 E211 N212 L213 | Y207-M209 VanDerWaalsContact C-N 3.27Å; M209-E211 HydrophobicContact CB-CG 4.12Å; M209-E211 PolarHBondContact O-N 3.5Å; M209-E211 VanDerWaalsContact O-N 3.07Å; M209-N212 PolarHBondContact O-N 2.83Å; M209-L213 PolarHBondContact O-N 3.23Å |
| 210 | K | 88.4 | Confident | 92.6 | Very high | 193 Ų | 193 | 69.6 Ų | 69.6 | 84% | 0.839 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.5 | -175.3 | -173.3 | 179.9 | 177.7 | -175.6 | 0 | 113.6 | N212 | K210-N212 VanDerWaalsContact C-N 3.27Å; K210-N212 PolarHBondContact O-N 3.05Å |
| 211 | E | 88.6 | Confident | 92.5 | Very high | 147 Ų | 147 | 71.7 Ų | 71.7 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.5 | 178.4 | 67.6 | -168.4 | 159.6 | 0 | 0 | 114.5 | M209 | M209-E211 HydrophobicContact CB-CG 4.12Å; M209-E211 PolarHBondContact O-N 3.5Å; M209-E211 VanDerWaalsContact O-N 3.07Å |
| 212 | N | 90.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 72.2 Ų | 72.2 | 10% | 0.096 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -12.5 | -178.2 | -67 | -40.3 | 0 | 0 | 0 | 112.8 | H206 Y207 M209 K210 E214 T215 F216 | H206-N212 PolarHBondContact CE1-ND2 3.32Å; H206-N212 WeakPolarHBondContact O-CB 3.35Å; H206-N212 PolarHBondContact O-ND2 2.84Å; Y207-N212 HydrophobicContact CD1-CB 3.76Å; Y207-N212 WeakPolarHBondContact CD1-O 3.41Å; Y207-N212 HydrophobicContact CE1-CB 4.26Å; M209-N212 PolarHBondContact O-N 2.83Å; K210-N212 VanDerWaalsContact C-N 3.27Å; K210-N212 PolarHBondContact O-N 3.05Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.02Å; N212-T215 WeakPolarHBondContact O-CA 3.25Å; N212-T215 WeakPolarHBondContact O-CB 3.34Å; N212-T215 PolarHBondContact O-N 3.22Å; N212-F216 PolarHBondContact O-N 2.85Å |
| 213 | L | 91.7 | Very high | 92.3 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 44% | 0.44 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | -173.4 | -177 | 61.5 | 0 | 0 | 0 | 113.3 | M209 T215 F216 E217 | M209-L213 PolarHBondContact O-N 3.23Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 3.39Å; L213-F216 HydrophobicContact CD1-CD1 4.49Å; L213-F216 WeakPolarHBondContact O-CB 3.35Å; L213-F216 PolarHBondContact O-N 2.97Å; L213-F216 VanDerWaalsContact O-N 3.11Å; L213-E217 PolarHBondContact O-N 2.95Å |
| 214 | E | 92.1 | Very high | 92.2 | Very high | 135 Ų | 135 | 74.8 Ų | 74.8 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63 | -40 | 175.5 | -158.7 | -173.8 | 176.9 | 0 | 0 | 111.7 | L166 N212 F216 E217 E218 | L166-E214 HydrophobicContact CD2-CB 4.04Å; L166-E214 HydrophobicContact CD2-CG 3.83Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.02Å; E214-F216 VanDerWaalsContact C-N 3.28Å; E214-F216 PolarHBondContact O-N 3.05Å; E214-E217 PolarHBondContact O-N 3.37Å; E214-E218 WeakPolarHBondContact O-CB 3.46Å; E214-E218 PolarHBondContact O-N 3.32Å; E214-E218 VanDerWaalsContact O-N 3.07Å |
| 215 | T | 92.4 | Very high | 92 | Very high | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.8 | -29.4 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | S162 Y207 N212 L213 V219 V220 | S162-T215 VanDerWaalsContact C-CG2 3.47Å; S162-T215 WeakPolarHBondContact OG-CG2 3.47Å; Y207-T215 HydrophobicContact CE1-CG2 3.9Å; N212-T215 WeakPolarHBondContact O-CA 3.25Å; N212-T215 WeakPolarHBondContact O-CB 3.34Å; N212-T215 PolarHBondContact O-N 3.22Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 3.39Å; T215-V219 HydrophobicContact CG2-CG2 4.49Å; T215-V219 VanDerWaalsContact O-CB 3.3Å; T215-V219 WeakPolarHBondContact O-CB 3.46Å; T215-V219 PolarHBondContact O-N 2.9Å; T215-V220 PolarHBondContact O-N 3.46Å |
| 216 | F | 93.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -68.9 | -52.7 | 173.8 | 177.1 | -98.5 | 0 | 0 | 0 | 111.7 | Y207 N212 L213 E214 V220 K221 M224 | Y207-F216 HydrophobicContact CD1-CB 3.73Å; Y207-F216 HydrophobicContact CD2-CD2 4.43Å; Y207-F216 HydrophobicContact CG-CB 3.92Å; Y207-F216 HydrophobicContact CG-CD2 4.11Å; Y207-F216 HydrophobicContact CG-CG 4.42Å; N212-F216 PolarHBondContact O-N 2.85Å; L213-F216 HydrophobicContact CD1-CD1 4.49Å; L213-F216 WeakPolarHBondContact O-CB 3.35Å; L213-F216 PolarHBondContact O-N 2.97Å; L213-F216 VanDerWaalsContact O-N 3.11Å; E214-F216 VanDerWaalsContact C-N 3.28Å; E214-F216 PolarHBondContact O-N 3.05Å; F216-V220 HydrophobicContact CD2-CB 3.86Å; F216-V220 HydrophobicContact CD2-CG1 4.04Å; F216-V220 HydrophobicContact CE2-CB 4.4Å; F216-V220 HydrophobicContact CE2-CG1 4.21Å; F216-V220 PolarHBondContact O-N 3.22Å; F216-V220 VanDerWaalsContact O-N 3.16Å; F216-K221 HydrophobicContact CE1-CB 4.16Å; F216-K221 HydrophobicContact CZ-CB 4.25Å; F216-K221 VanDerWaalsContact O-CB 3.22Å; F216-K221 WeakPolarHBondContact O-CB 3.39Å; F216-K221 PolarHBondContact O-N 3.38Å; F216-M224 HydrophobicContact CE2-SD 3.97Å; F216-M224 HydrophobicContact CZ-SD 4.39Å |
| 217 | E | 92.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -65.4 | -41.8 | -176.4 | -67.9 | -65.5 | 131.6 | 0 | 0 | 112.8 | L213 E214 K221 P222 | L213-E217 PolarHBondContact O-N 2.95Å; E214-E217 PolarHBondContact O-N 3.37Å; E217-K221 VanDerWaalsContact OE2-CD 3.32Å; E217-K221 WeakPolarHBondContact OE2-CD 3.39Å; E217-K221 IonicContact OE2-NZ 3.72Å; E217-K221 PolarHBondContact OE2-NZ 3.2Å; E217-P222 WeakPolarHBondContact O-CD 3.36Å |
| 218 | E | 92.8 | Very high | 91.8 | Very high | 131 Ų | 131 | 75.4 Ų | 75.4 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | I | π-helix | trans | -86.3 | -24.9 | -175.6 | -65.2 | -63.6 | 139.8 | 0 | 0 | 114.4 | L166 E214 | L166-E218 HydrophobicContact CD1-CB 3.98Å; L166-E218 HydrophobicContact CD1-CG 4.14Å; E214-E218 WeakPolarHBondContact O-CB 3.46Å; E214-E218 PolarHBondContact O-N 3.32Å; E214-E218 VanDerWaalsContact O-N 3.07Å |
| 219 | V | 92.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -120.9 | -58.2 | -173.8 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | L166 T215 M223 | L166-V219 HydrophobicContact CB-CG2 4.16Å; T215-V219 HydrophobicContact CG2-CG2 4.49Å; T215-V219 VanDerWaalsContact O-CB 3.3Å; T215-V219 WeakPolarHBondContact O-CB 3.46Å; T215-V219 PolarHBondContact O-N 2.9Å; V219-M223 HydrophobicContact CG1-CE 3.58Å; V219-M223 HydrophobicContact CG1-SD 4.43Å; V219-M223 VanDerWaalsContact O-CG 3.3Å; V219-M223 WeakPolarHBondContact O-CG 3.42Å; V219-M223 PolarHBondContact O-N 2.97Å |
| 220 | V | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -73.7 | -39.5 | -169.9 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | F158 F188 L203 Y207 T215 F216 M223 M224 | F158-V220 HydrophobicContact CE1-CG2 4.15Å; F158-V220 HydrophobicContact CZ-CG1 4.39Å; F158-V220 HydrophobicContact CZ-CG2 3.98Å; F188-V220 HydrophobicContact CE2-CG1 4.27Å; L203-V220 HydrophobicContact CD1-CG1 4.33Å; L203-V220 HydrophobicContact CD2-CG1 4.07Å; Y207-V220 HydrophobicContact CE1-CG2 3.95Å; Y207-V220 HydrophobicContact CE2-CG2 3.93Å; T215-V220 PolarHBondContact O-N 3.46Å; F216-V220 HydrophobicContact CD2-CB 3.86Å; F216-V220 HydrophobicContact CD2-CG1 4.04Å; F216-V220 HydrophobicContact CE2-CB 4.4Å; F216-V220 HydrophobicContact CE2-CG1 4.21Å; F216-V220 PolarHBondContact O-N 3.22Å; F216-V220 VanDerWaalsContact O-N 3.16Å; V220-M223 WeakPolarHBondContact O-CB 3.48Å; V220-M223 PolarHBondContact O-N 2.94Å; V220-M223 VanDerWaalsContact O-N 3.17Å; V220-M224 HydrophobicContact CG1-CG 4.39Å; V220-M224 HydrophobicContact CG1-SD 4.31Å; V220-M224 WeakPolarHBondContact O-CG 3.44Å; V220-M224 PolarHBondContact O-N 3.43Å |
| 221 | K | 93 | Very high | 92.2 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | -178.5 | 170.8 | -171.1 | 175 | -164.8 | 0 | 112.1 | F216 E217 M223 M224 E225 | F216-K221 HydrophobicContact CE1-CB 4.16Å; F216-K221 HydrophobicContact CZ-CB 4.25Å; F216-K221 VanDerWaalsContact O-CB 3.22Å; F216-K221 WeakPolarHBondContact O-CB 3.39Å; F216-K221 PolarHBondContact O-N 3.38Å; E217-K221 VanDerWaalsContact OE2-CD 3.32Å; E217-K221 WeakPolarHBondContact OE2-CD 3.39Å; E217-K221 IonicContact OE2-NZ 3.72Å; E217-K221 PolarHBondContact OE2-NZ 3.2Å; K221-M223 VanDerWaalsContact C-N 3.26Å; K221-M223 PolarHBondContact O-N 3.17Å; K221-M224 WeakPolarHBondContact O-CA 3.19Å; K221-M224 WeakPolarHBondContact O-CB 3.18Å; K221-M224 PolarHBondContact O-N 3.02Å; K221-E225 PolarHBondContact O-N 3.03Å |
| 222 | P | 92.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.4 | -37.4 | 168.4 | -29.6 | 35.8 | 0 | 0 | 0 | 114 | E217 E225 H226 | E217-P222 WeakPolarHBondContact O-CD 3.36Å; P222-E225 PolarHBondContact O-N 2.73Å; P222-H226 PolarHBondContact O-ND1 2.91Å |
| 223 | M | 93.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 175.1 | -62.8 | -180 | -175.3 | 0 | 0 | 112.5 | F158 H181 V184 Y185 F188 V219 V220 K221 H226 | F158-M223 HydrophobicContact CE2-SD 4.45Å; H181-M223 VanDerWaalsContact NE2-CE 3.27Å; H181-M223 WeakPolarHBondContact NE2-CE 3.44Å; V184-M223 HydrophobicContact CG1-CE 4.15Å; Y185-M223 HydrophobicContact CD2-CB 3.95Å; Y185-M223 HydrophobicContact CD2-CG 3.64Å; Y185-M223 HydrophobicContact CD2-SD 4.1Å; Y185-M223 HydrophobicContact CE2-CB 4.22Å; Y185-M223 HydrophobicContact CE2-CG 4.33Å; F188-M223 HydrophobicContact CB-SD 3.91Å; F188-M223 HydrophobicContact CD1-CB 3.74Å; F188-M223 HydrophobicContact CD2-CB 4.24Å; F188-M223 HydrophobicContact CE1-CB 3.86Å; F188-M223 VanDerWaalsContact CE1-O 3.32Å; F188-M223 WeakPolarHBondContact CE1-O 3.49Å; F188-M223 HydrophobicContact CE2-CB 4.34Å; F188-M223 HydrophobicContact CG-CB 3.97Å; F188-M223 HydrophobicContact CG-SD 4.13Å; F188-M223 HydrophobicContact CZ-CB 4.17Å; V219-M223 HydrophobicContact CG1-CE 3.58Å; V219-M223 HydrophobicContact CG1-SD 4.43Å; V219-M223 VanDerWaalsContact O-CG 3.3Å; V219-M223 WeakPolarHBondContact O-CG 3.42Å; V219-M223 PolarHBondContact O-N 2.97Å; V220-M223 WeakPolarHBondContact O-CB 3.48Å; V220-M223 PolarHBondContact O-N 2.94Å; V220-M223 VanDerWaalsContact O-N 3.17Å; K221-M223 VanDerWaalsContact C-N 3.26Å; K221-M223 PolarHBondContact O-N 3.17Å; M223-H226 PolarHBondContact O-N 3.39Å |
| 224 | M | 92.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -31 | 175.1 | -73 | -177 | 67.9 | 0 | 0 | 113.2 | F188 L203 F216 V220 K221 H226 V227 | F188-M224 HydrophobicContact CE2-CG 3.9Å; F188-M224 HydrophobicContact CZ-CB 4.41Å; F188-M224 HydrophobicContact CZ-CG 3.64Å; L203-M224 HydrophobicContact CD1-SD 4.23Å; F216-M224 HydrophobicContact CE2-SD 3.97Å; F216-M224 HydrophobicContact CZ-SD 4.39Å; V220-M224 HydrophobicContact CG1-CG 4.39Å; V220-M224 HydrophobicContact CG1-SD 4.31Å; V220-M224 WeakPolarHBondContact O-CG 3.44Å; V220-M224 PolarHBondContact O-N 3.43Å; K221-M224 WeakPolarHBondContact O-CA 3.19Å; K221-M224 WeakPolarHBondContact O-CB 3.18Å; K221-M224 PolarHBondContact O-N 3.02Å; M224-H226 PolarHBondContact O-N 2.95Å; M224-V227 WeakPolarHBondContact O-CG2 3.25Å; M224-V227 PolarHBondContact O-N 3.21Å |
| 225 | E | 91.1 | Very high | 92.3 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.1 | -21.2 | 175.1 | -70.4 | 169.8 | -170 | 0 | 0 | 112.7 | K221 P222 | K221-E225 PolarHBondContact O-N 3.03Å; P222-E225 PolarHBondContact O-N 2.73Å |
| 226 | H | 90.2 | Very high | 92 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 40% | 0.398 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14 | 179.9 | -66.8 | 79.2 | 0 | 0 | 0 | 114 | Y185 P222 M223 M224 L264 | Y185-H226 HydrophobicContact CE2-CB 4.38Å; Y185-H226 WeakPolarHBondContact OH-CB 3.32Å; P222-H226 PolarHBondContact O-ND1 2.91Å; M223-H226 PolarHBondContact O-N 3.39Å; M224-H226 PolarHBondContact O-N 2.95Å; H226-L264 PolarHBondContact O-N 3.11Å |
| 227 | V | 92.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 143 | 174.9 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | F188 Y192 M224 I262 | F188-V227 HydrophobicContact CE1-CG1 4Å; F188-V227 HydrophobicContact CE1-CG2 3.91Å; F188-V227 HydrophobicContact CZ-CG2 4.08Å; Y192-V227 HydrophobicContact CD1-CB 4Å; Y192-V227 HydrophobicContact CD1-CG1 4.21Å; Y192-V227 HydrophobicContact CD1-CG2 3.83Å; Y192-V227 HydrophobicContact CE1-CB 3.89Å; Y192-V227 HydrophobicContact CE1-CG2 3.69Å; M224-V227 WeakPolarHBondContact O-CG2 3.25Å; M224-V227 PolarHBondContact O-N 3.21Å; V227-I262 CarbonylContact C-O 3.53Å; V227-I262 WeakPolarHBondContact CA-O 3.3Å |
| 228 | R | 92.2 | Very high | 91.7 | Very high | 100 Ų | 100 | 67 Ų | 67 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 153.6 | 171.3 | -60 | 169.9 | 177.6 | 179.9 | -8 | 110.2 | Y192 H230 K261 I262 L264 D273 | Y192-R228 WeakPolarHBondContact CE1-O 3.47Å; Y192-R228 PolarHBondContact OH-O 3.08Å; R228-H230 PolarHBondContact O-N 3.38Å; R228-H230 VanDerWaalsContact O-N 3.12Å; R228-K261 PolarHBondContact NH1-O 3.45Å; R228-I262 WeakPolarHBondContact CB-O 3.4Å; R228-I262 PolarHBondContact N-O 3.44Å; R228-L264 HydrophobicContact CG-CD1 4.41Å; R228-L264 HydrophobicContact CG-CD2 3.53Å; R228-L264 HydrophobicContact CG-CG 3.85Å; R228-D273 IonicContact CZ-OD2 3.67Å; R228-D273 VanDerWaalsContact CZ-OD2 3.25Å; R228-D273 IonicContact NH1-OD2 3.68Å; R228-D273 PolarHBondContact NH1-OD2 3.49Å; R228-D273 IonicContact NH2-OD2 2.74Å; R228-D273 PolarHBondContact NH2-OD2 3.43Å |
| 229 | I | 92.8 | Very high | 91.5 | Very high | 129 Ų | 129 | 66.6 Ų | 66.6 | 66% | 0.662 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 116.8 | 173 | -168.7 | 171 | 0 | 0 | 0 | 110.7 | L233 | I229-L233 HydrophobicContact CG1-CD1 4.05Š|
| 230 | H | 93.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 70.9 Ų | 70.9 | 6% | 0.06 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 128.6 | -179 | -170.2 | -71.1 | 0 | 0 | 0 | 110.8 | Y192 G193 P196 R228 E232 L233 | Y192-H230 HydrophobicContact CE1-CB 4.13Å; Y192-H230 PolarHBondContact OH-N 2.98Å; Y192-H230 VanDerWaalsContact OH-N 3.12Å; G193-H230 PolarHBondContact O-NE2 2.83Å; P196-H230 HydrophobicContact CB-CB 3.82Å; P196-H230 HydrophobicContact CG-CB 4.4Å; R228-H230 PolarHBondContact O-N 3.38Å; R228-H230 VanDerWaalsContact O-N 3.12Å; H230-E232 VanDerWaalsContact C-N 3.29Å; H230-E232 IonicContact CE1-OE1 3.92Å; H230-E232 PolarHBondContact ND1-N 3.37Å; H230-E232 PolarHBondContact O-N 3.33Å; H230-E232 VanDerWaalsContact O-N 3.15Å; H230-L233 HydrophobicContact CB-CD1 4.18Å; H230-L233 HydrophobicContact CB-CG 4.3Å; H230-L233 VanDerWaalsContact O-CB 3.31Å; H230-L233 WeakPolarHBondContact O-CB 3.37Å; H230-L233 PolarHBondContact O-N 2.89Å |
| 231 | P | 92.2 | Very high | 91.1 | Very high | 86 Ų | 86 | 71 Ų | 71 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -38.3 | -173.6 | -29.6 | 35.8 | 0 | 0 | 0 | 115 | L233 V234 T235 | P231-L233 PolarHBondContact O-N 2.71Å; P231-L233 VanDerWaalsContact O-N 3.15Å; P231-V234 WeakPolarHBondContact O-CB 3.46Å; P231-V234 PolarHBondContact O-N 3.1Å; P231-T235 PolarHBondContact O-N 2.79Å; P231-T235 PolarHBondContact O-OG1 2.74Å |
| 232 | E | 90.3 | Very high | 90.9 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -14 | 177.6 | -65.2 | 175.5 | -154.7 | 0 | 0 | 114.5 | P196 C197 H230 V234 G236 R246 | P196-E232 HydrophobicContact CG-CB 4.12Å; C197-E232 PolarHBondContact SG-O 3.07Å; H230-E232 VanDerWaalsContact C-N 3.29Å; H230-E232 IonicContact CE1-OE1 3.92Å; H230-E232 PolarHBondContact ND1-N 3.37Å; H230-E232 PolarHBondContact O-N 3.33Å; H230-E232 VanDerWaalsContact O-N 3.15Å; E232-V234 PolarHBondContact O-N 2.68Å; E232-G236 WeakPolarHBondContact O-CA 3.27Å; E232-G236 PolarHBondContact O-N 2.92Å; E232-R246 VanDerWaalsContact CD-CZ 3.49Å; E232-R246 VanDerWaalsContact CD-NE 3.32Å; E232-R246 IonicContact OE1-CZ 3.12Å; E232-R246 IonicContact OE1-NE 3.03Å; E232-R246 PolarHBondContact OE1-NE 3.27Å; E232-R246 IonicContact OE1-NH2 2.67Å; E232-R246 PolarHBondContact OE1-NH2 3.22Å; E232-R246 IonicContact OE2-CZ 3.6Å; E232-R246 IonicContact OE2-NE 3.55Å; E232-R246 PolarHBondContact OE2-NE 2.85Å; E232-R246 VanDerWaalsContact OE2-NE 3.07Å; E232-R246 IonicContact OE2-NH1 2.78Å; E232-R246 IonicContact OE2-NH2 2.88Å; E232-R246 PolarHBondContact OE2-NH2 3.5Å |
| 233 | L | 92.8 | Very high | 90.6 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -16.2 | 168.4 | -65.9 | 170.6 | 0 | 0 | 0 | 112.8 | Y192 P196 V200 I229 H230 P231 | Y192-L233 HydrophobicContact CE2-CD1 4.01Å; Y192-L233 VanDerWaalsContact OH-CD1 3.26Å; Y192-L233 WeakPolarHBondContact OH-CD1 3.27Å; P196-L233 HydrophobicContact CB-CD2 4.02Å; P196-L233 HydrophobicContact CB-CG 4.07Å; V200-L233 HydrophobicContact CB-CD2 4.22Å; V200-L233 HydrophobicContact CG2-CD1 4.34Å; V200-L233 HydrophobicContact CG2-CD2 4.02Å; I229-L233 HydrophobicContact CG1-CD1 4.05Å; H230-L233 HydrophobicContact CB-CD1 4.18Å; H230-L233 HydrophobicContact CB-CG 4.3Å; H230-L233 VanDerWaalsContact O-CB 3.31Å; H230-L233 WeakPolarHBondContact O-CB 3.37Å; H230-L233 PolarHBondContact O-N 2.89Å; P231-L233 PolarHBondContact O-N 2.71Å; P231-L233 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 93.2 | Very high | 90.2 | Very high | 118 Ų | 118 | 71.1 Ų | 71.1 | 72% | 0.715 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -105.4 | -36.8 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | P231 E232 | P231-V234 WeakPolarHBondContact O-CB 3.46Å; P231-V234 PolarHBondContact O-N 3.1Å; E232-V234 PolarHBondContact O-N 2.68Å |
| 235 | T | 90.6 | Very high | 90 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -107.8 | -12.5 | -172.5 | 60.6 | 0 | 0 | 0 | 0 | 115.3 | P231 | P231-T235 PolarHBondContact O-N 2.79Å; P231-T235 PolarHBondContact O-OG1 2.74Å |
| 236 | G | 85 | Confident | 89.8 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | trans | -109.6 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | E232 | E232-G236 WeakPolarHBondContact O-CA 3.27Å; E232-G236 PolarHBondContact O-N 2.92Å | ||
| 237 | S | 90.4 | Very high | 89.6 | Confident | 55 Ų | 55 | 69.2 Ų | 69.2 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | trans | -127 | 163.8 | 169.7 | 74.7 | 0 | 0 | 0 | 0 | 110 | D239 H240 E241 | S237-D239 PolarHBondContact O-N 3.29Å; S237-D239 PolarHBondContact OG-N 2.83Å; S237-H240 PolarHBondContact O-N 3.32Å; S237-H240 WeakPolarHBondContact OG-CB 3.48Å; S237-H240 PolarHBondContact OG-N 3.36Å; S237-H240 VanDerWaalsContact OG-N 3.11Å; S237-E241 WeakPolarHBondContact O-CB 3.47Å; S237-E241 PolarHBondContact O-N 3.36Å | ||
| 238 | K | 90.5 | Very high | 89.3 | Confident | 93 Ų | 93 | 77 Ų | 77 | 40% | 0.404 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.7 | -36 | 174.5 | -70.2 | -176.6 | 175.3 | -174.5 | 0 | 112.9 | C197 N198 S201 L242 | C197-K238 HydrophobicContact CB-CG 4.39Å; N198-K238 PolarHBondContact ND2-O 3.36Å; N198-K238 WeakPolarHBondContact OD1-CB 3.39Å; N198-K238 WeakPolarHBondContact OD1-CG 3.1Å; S201-K238 WeakPolarHBondContact OG-CE 3.38Å; S201-K238 PolarHBondContact OG-NZ 3.48Å; K238-L242 WeakPolarHBondContact O-CG 3.29Å |
| 239 | D | 88.8 | Confident | 88.8 | Confident | 123 Ų | 123 | 82.9 Ų | 82.9 | 66% | 0.658 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.9 | -37.6 | -178.9 | -54.2 | -82.3 | 0 | 0 | 0 | 112.1 | S237 L242 D243 | S237-D239 PolarHBondContact O-N 3.29Å; S237-D239 PolarHBondContact OG-N 2.83Å; D239-L242 CarbonylContact O-C 3.56Å; D239-L242 PolarHBondContact O-N 2.97Å; D239-D243 PolarHBondContact O-N 3.36Å |
| 240 | H | 87.4 | Confident | 88.6 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.8 | -178.1 | 2 | 0 | 0 | 0 | 111.9 | S237 L242 D243 | S237-H240 PolarHBondContact O-N 3.32Å; S237-H240 WeakPolarHBondContact OG-CB 3.48Å; S237-H240 PolarHBondContact OG-N 3.36Å; S237-H240 VanDerWaalsContact OG-N 3.11Å; H240-L242 PolarHBondContact O-N 3.44Å; H240-D243 WeakPolarHBondContact O-CB 3.46Å; H240-D243 PolarHBondContact O-N 2.97Å |
| 241 | E | 89.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.6 | -33.3 | 175.9 | -172.9 | -160.4 | 96.6 | 0 | 0 | 112.4 | Y195 C197 N198 S237 R246 W247 | Y195-E241 VanDerWaalsContact CA-OE1 3.27Å; Y195-E241 WeakPolarHBondContact CA-OE1 3.41Å; Y195-E241 VanDerWaalsContact CB-OE1 3.26Å; Y195-E241 WeakPolarHBondContact CB-OE1 3.23Å; Y195-E241 HydrophobicContact CD1-CG 4.27Å; Y195-E241 WeakPolarHBondContact CD1-OE1 3.14Å; C197-E241 VanDerWaalsContact CA-OE2 3.31Å; C197-E241 WeakPolarHBondContact CA-OE2 3.24Å; C197-E241 VanDerWaalsContact CB-OE2 3.25Å; C197-E241 WeakPolarHBondContact CB-OE2 3.4Å; C197-E241 PolarHBondContact N-OE2 2.86Å; N198-E241 WeakPolarHBondContact CB-OE1 3.48Å; N198-E241 PolarHBondContact N-OE2 3.19Å; N198-E241 PolarHBondContact ND2-OE1 2.87Å; S237-E241 WeakPolarHBondContact O-CB 3.47Å; S237-E241 PolarHBondContact O-N 3.36Å; E241-R246 PolarHBondContact O-NH1 3.43Å; E241-W247 PolarHBondContact O-NE1 3.03Å |
| 242 | L | 88.1 | Confident | 88.3 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 10.4 | -179.3 | -57 | 176.4 | 0 | 0 | 0 | 113.5 | K148 L151 Y195 K238 D239 H240 P244 | K148-L242 HydrophobicContact CD-CB 4.2Å; K148-L242 HydrophobicContact CG-CB 4.47Å; K148-L242 HydrophobicContact CG-CD1 4.4Å; L151-L242 HydrophobicContact CD2-CD1 4.11Å; L151-L242 HydrophobicContact CD2-CD2 3.87Å; Y195-L242 HydrophobicContact CD1-CD2 3.88Å; Y195-L242 HydrophobicContact CE1-CD2 3.96Å; K238-L242 WeakPolarHBondContact O-CG 3.29Å; D239-L242 CarbonylContact O-C 3.56Å; D239-L242 PolarHBondContact O-N 2.97Å; H240-L242 PolarHBondContact O-N 3.44Å; L242-P244 WeakPolarHBondContact O-CD 3.21Å |
| 243 | D | 86.9 | Confident | 88.4 | Confident | 45 Ų | 45 | 79.1 Ų | 79.1 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | trans | -76.2 | 121.5 | 174.8 | -176.3 | -8.5 | 0 | 0 | 0 | 110.7 | D239 H240 R245 R246 | D239-D243 PolarHBondContact O-N 3.36Å; H240-D243 WeakPolarHBondContact O-CB 3.46Å; H240-D243 PolarHBondContact O-N 2.97Å; D243-R245 PolarHBondContact O-N 2.86Å; D243-R245 VanDerWaalsContact OD1-CB 3.27Å; D243-R245 WeakPolarHBondContact OD1-CB 3.5Å; D243-R245 WeakPolarHBondContact OD1-CG 3.45Å; D243-R245 PolarHBondContact OD1-N 3.27Å; D243-R245 WeakPolarHBondContact OD2-CD 3.41Å; D243-R246 WeakPolarHBondContact O-CB 3.17Å; D243-R246 PolarHBondContact O-N 3.01Å | ||
| 244 | P | 85.1 | Confident | 88.4 | Confident | 69 Ų | 69 | 77 Ų | 77 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -51.5 | -25.9 | 172.5 | -28.5 | 37 | 0 | 0 | 0 | 114.9 | Q145 L242 W247 K248 | Q145-P244 HydrophobicContact CG-CB 4.26Å; Q145-P244 PolarHBondContact NE2-O 2.96Å; L242-P244 WeakPolarHBondContact O-CD 3.21Å; P244-W247 PolarHBondContact O-N 3.08Å; P244-K248 PolarHBondContact O-N 3.43Å |
| 245 | R | 86.6 | Confident | 88.3 | Confident | 195 Ų | 195 | 71.7 Ų | 71.7 | 74% | 0.736 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -34.7 | 177.8 | -63 | 171 | 174.3 | -177.5 | -2 | 113.1 | D243 W247 | D243-R245 PolarHBondContact O-N 2.86Å; D243-R245 VanDerWaalsContact OD1-CB 3.27Å; D243-R245 WeakPolarHBondContact OD1-CB 3.5Å; D243-R245 WeakPolarHBondContact OD1-CG 3.45Å; D243-R245 PolarHBondContact OD1-N 3.27Å; D243-R245 WeakPolarHBondContact OD2-CD 3.41Å; R245-W247 VanDerWaalsContact C-N 3.33Å |
| 246 | R | 86.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 175.2 | 179.8 | 177.4 | 176.4 | -123.8 | -3.5 | 110.1 | M194 E232 E241 D243 | M194-R246 PolarHBondContact O-NH1 2.93Å; E232-R246 VanDerWaalsContact CD-CZ 3.49Å; E232-R246 VanDerWaalsContact CD-NE 3.32Å; E232-R246 IonicContact OE1-CZ 3.12Å; E232-R246 IonicContact OE1-NE 3.03Å; E232-R246 PolarHBondContact OE1-NE 3.27Å; E232-R246 IonicContact OE1-NH2 2.67Å; E232-R246 PolarHBondContact OE1-NH2 3.22Å; E232-R246 IonicContact OE2-CZ 3.6Å; E232-R246 IonicContact OE2-NE 3.55Å; E232-R246 PolarHBondContact OE2-NE 2.85Å; E232-R246 VanDerWaalsContact OE2-NE 3.07Å; E232-R246 IonicContact OE2-NH1 2.78Å; E232-R246 IonicContact OE2-NH2 2.88Å; E232-R246 PolarHBondContact OE2-NH2 3.5Å; E241-R246 PolarHBondContact O-NH1 3.43Å; D243-R246 WeakPolarHBondContact O-CB 3.17Å; D243-R246 PolarHBondContact O-N 3.01Å |
| 247 | W | 86.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77 | -28.5 | -174.9 | -56.4 | 109.2 | 0 | 0 | 0 | 114.1 | P144 Q145 M194 Y195 E241 P244 R245 R249 L250 V255 | P144-W247 HydrophobicContact CB-CB 4.41Å; P144-W247 HydrophobicContact CB-CD2 3.51Å; P144-W247 HydrophobicContact CB-CE3 3.61Å; P144-W247 HydrophobicContact CB-CG 3.89Å; P144-W247 HydrophobicContact CB-CH2 4.29Å; P144-W247 HydrophobicContact CB-CZ2 4.19Å; P144-W247 HydrophobicContact CB-CZ3 4.03Å; P144-W247 HydrophobicContact CG-CB 4.03Å; P144-W247 HydrophobicContact CG-CD2 4.02Å; P144-W247 HydrophobicContact CG-CE3 4.01Å; P144-W247 HydrophobicContact CG-CG 4.06Å; Q145-W247 HydrophobicContact CG-CB 4.17Å; M194-W247 HydrophobicContact CB-CH2 3.92Å; M194-W247 HydrophobicContact CE-CH2 3.71Å; M194-W247 HydrophobicContact CE-CZ2 4.29Å; M194-W247 HydrophobicContact CE-CZ3 4.07Å; M194-W247 HydrophobicContact CG-CH2 4.12Å; Y195-W247 HydrophobicContact CD1-CZ2 4.41Å; Y195-W247 AromaticContact CE1-CZ2 3.87Å; Y195-W247 HydrophobicContact CE1-CZ2 3.87Å; E241-W247 PolarHBondContact O-NE1 3.03Å; P244-W247 PolarHBondContact O-N 3.08Å; R245-W247 VanDerWaalsContact C-N 3.33Å; W247-R249 PolarHBondContact O-N 3.47Å; W247-L250 HydrophobicContact CE3-CD1 4.32Å; W247-L250 PolarHBondContact O-N 3Å; W247-L250 VanDerWaalsContact O-N 3.11Å; W247-V255 HydrophobicContact CE3-CG2 3.92Å; W247-V255 HydrophobicContact CZ3-CB 4.45Å; W247-V255 HydrophobicContact CZ3-CG1 3.8Å; W247-V255 HydrophobicContact CZ3-CG2 3.82Å |
| 248 | K | 85.1 | Confident | 88.6 | Confident | 182 Ų | 182 | 66.1 Ų | 66.1 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.1 | -178.3 | -169.1 | 172.7 | -179.2 | -179.8 | 0 | 114.3 | P244 | P244-K248 PolarHBondContact O-N 3.43Š|
| 249 | R | 83.3 | Confident | 88.7 | Confident | 222 Ų | 222 | 61.8 Ų | 61.8 | 84% | 0.838 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.3 | 179.9 | -64 | -176.9 | 178 | -179.2 | -0.3 | 114.8 | W247 | W247-R249 PolarHBondContact O-N 3.47Š|
| 250 | L | 87.5 | Confident | 88.8 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | trans | -116.1 | 131.9 | -171.3 | -62.9 | 169.9 | 0 | 0 | 0 | 110.7 | W247 D254 V255 | W247-L250 HydrophobicContact CE3-CD1 4.32Å; W247-L250 PolarHBondContact O-N 3Å; W247-L250 VanDerWaalsContact O-N 3.11Å; L250-D254 HydrophobicContact CB-CB 4.18Å; L250-D254 HydrophobicContact CD2-CB 3.86Å; L250-V255 HydrophobicContact CB-CG2 3.81Å; L250-V255 HydrophobicContact CD1-CG2 4.17Å | ||
| 251 | E | 89 | Confident | 88.9 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | trans | -81.3 | 165.1 | 167.9 | -68.4 | 180 | -110.1 | 0 | 0 | 110.6 | H253 D254 V255 R718 | E251-H253 VanDerWaalsContact C-N 3.26Å; E251-H253 WeakPolarHBondContact CB-NE2 3.47Å; E251-H253 PolarHBondContact O-N 3.17Å; E251-H253 IonicContact OE1-CE1 3.4Å; E251-H253 IonicContact OE1-NE2 2.67Å; E251-H253 IonicContact OE2-CE1 3.51Å; E251-H253 PolarHBondContact OE2-CE1 2.86Å; E251-H253 IonicContact OE2-NE2 2.74Å; E251-D254 PolarHBondContact N-OD2 2.83Å; E251-D254 VanDerWaalsContact N-OD2 3.09Å; E251-D254 WeakPolarHBondContact O-CA 3.28Å; E251-D254 WeakPolarHBondContact O-CB 3.37Å; E251-D254 PolarHBondContact O-N 3.48Å; E251-V255 PolarHBondContact O-N 3.16Å; E251-V255 VanDerWaalsContact O-N 3.12Å; E251-R718 WeakPolarHBondContact OE1-CD 3.42Å; E251-R718 IonicContact OE1-CZ 2.67Å; E251-R718 IonicContact OE1-NE 2.67Å; E251-R718 IonicContact OE1-NH1 2.7Å; E251-R718 PolarHBondContact OE1-NH1 3.18Å | ||
| 252 | T | 90.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.3 | -40.2 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | K104 P141 M142 V256 | K104-T252 PolarHBondContact NZ-OG1 2.87Å; P141-T252 HydrophobicContact CB-CG2 3.99Å; P141-T252 PolarHBondContact O-OG1 2.89Å; M142-T252 HydrophobicContact CG-CG2 3.49Å; M142-T252 VanDerWaalsContact CG-CG2 3.49Å; T252-V256 WeakPolarHBondContact O-CG2 3.29Å; T252-V256 PolarHBondContact O-N 3.24Å |
| 253 | H | 91.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -26.5 | 175 | 52.2 | -107.2 | 0 | 0 | 0 | 113.7 | E251 V256 I257 Q711 R715 R718 | E251-H253 VanDerWaalsContact C-N 3.26Å; E251-H253 WeakPolarHBondContact CB-NE2 3.47Å; E251-H253 PolarHBondContact O-N 3.17Å; E251-H253 IonicContact OE1-CE1 3.4Å; E251-H253 IonicContact OE1-NE2 2.67Å; E251-H253 IonicContact OE2-CE1 3.51Å; E251-H253 PolarHBondContact OE2-CE1 2.86Å; E251-H253 IonicContact OE2-NE2 2.74Å; H253-V256 PolarHBondContact O-N 2.73Å; H253-I257 WeakPolarHBondContact O-CB 3.35Å; H253-I257 VanDerWaalsContact O-CD1 3.3Å; H253-I257 WeakPolarHBondContact O-CD1 3.45Å; H253-I257 WeakPolarHBondContact O-CG1 3.26Å; H253-I257 PolarHBondContact O-N 3.37Å; H253-I257 VanDerWaalsContact O-N 3.15Å; H253-Q711 HydrophobicContact CB-CB 3.84Å; H253-Q711 HydrophobicContact CB-CG 4.45Å; H253-Q711 WeakPolarHBondContact CB-O 3.43Å; H253-R715 HydrophobicContact CB-CB 4.22Å; H253-R718 VanDerWaalsContact NE2-CZ 3.35Å; H253-R718 PolarHBondContact NE2-NH1 3.09Å; H253-R718 VanDerWaalsContact NE2-NH1 3.18Å |
| 254 | D | 92.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.3 | -48.3 | 176.9 | -63.1 | -46.1 | 0 | 0 | 0 | 109.8 | L250 E251 V256 I257 E258 R715 R718 | L250-D254 HydrophobicContact CB-CB 4.18Å; L250-D254 HydrophobicContact CD2-CB 3.86Å; E251-D254 PolarHBondContact N-OD2 2.83Å; E251-D254 VanDerWaalsContact N-OD2 3.09Å; E251-D254 WeakPolarHBondContact O-CA 3.28Å; E251-D254 WeakPolarHBondContact O-CB 3.37Å; E251-D254 PolarHBondContact O-N 3.48Å; D254-V256 PolarHBondContact O-N 2.94Å; D254-I257 PolarHBondContact O-N 3.35Å; D254-E258 WeakPolarHBondContact O-CG 3.26Å; D254-E258 PolarHBondContact O-N 2.61Å; D254-R715 IonicContact OD1-NE 3.25Å; D254-R718 IonicContact OD1-CZ 3.43Å; D254-R718 IonicContact OD1-NH1 3.81Å; D254-R718 IonicContact OD1-NH2 3.7Å; D254-R718 PolarHBondContact OD1-NH2 3.01Å; D254-R718 IonicContact OD2-CZ 3.38Å; D254-R718 IonicContact OD2-NH1 3.43Å; D254-R718 PolarHBondContact OD2-NH1 2.7Å; D254-R718 IonicContact OD2-NH2 3.89Å; D254-R718 PolarHBondContact OD2-NH2 3.29Å |
| 255 | V | 92.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -40.6 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | P141 M194 W247 L250 E251 I257 C259 | P141-V255 HydrophobicContact CB-CB 4.14Å; P141-V255 HydrophobicContact CB-CG1 3.9Å; P141-V255 HydrophobicContact CG-CG1 4.37Å; M194-V255 HydrophobicContact CE-CG1 3.91Å; M194-V255 HydrophobicContact CG-CG1 3.95Å; M194-V255 HydrophobicContact SD-CG1 3.85Å; W247-V255 HydrophobicContact CE3-CG2 3.92Å; W247-V255 HydrophobicContact CZ3-CB 4.45Å; W247-V255 HydrophobicContact CZ3-CG1 3.8Å; W247-V255 HydrophobicContact CZ3-CG2 3.82Å; L250-V255 HydrophobicContact CB-CG2 3.81Å; L250-V255 HydrophobicContact CD1-CG2 4.17Å; E251-V255 PolarHBondContact O-N 3.16Å; E251-V255 VanDerWaalsContact O-N 3.12Å; V255-I257 VanDerWaalsContact C-N 3.27Å; V255-I257 PolarHBondContact O-N 3.01Å; V255-C259 PolarHBondContact O-N 3.06Å; V255-C259 PolarHBondContact O-SG 3.45Å |
| 256 | V | 92.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -31.4 | 177.5 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | P141 T252 H253 D254 C259 A260 F707 Q711 | P141-V256 HydrophobicContact CB-CG2 3.69Å; P141-V256 HydrophobicContact CG-CG2 3.55Å; T252-V256 WeakPolarHBondContact O-CG2 3.29Å; T252-V256 PolarHBondContact O-N 3.24Å; H253-V256 PolarHBondContact O-N 2.73Å; D254-V256 PolarHBondContact O-N 2.94Å; V256-C259 WeakPolarHBondContact O-CB 3.5Å; V256-A260 PolarHBondContact O-N 3.12Å; V256-F707 HydrophobicContact CG2-CE1 4.41Å; V256-Q711 HydrophobicContact CB-CB 4.18Å; V256-Q711 HydrophobicContact CB-CG 4.1Å; V256-Q711 HydrophobicContact CG1-CB 3.87Å; V256-Q711 HydrophobicContact CG1-CG 3.93Å; V256-Q711 HydrophobicContact CG2-CG 4.06Å |
| 257 | I | 90.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -96.8 | -28.9 | -171.1 | -67.5 | 169.2 | 0 | 0 | 0 | 111.9 | H253 D254 V255 C259 A260 K261 H712 R715 | H253-I257 WeakPolarHBondContact O-CB 3.35Å; H253-I257 VanDerWaalsContact O-CD1 3.3Å; H253-I257 WeakPolarHBondContact O-CD1 3.45Å; H253-I257 WeakPolarHBondContact O-CG1 3.26Å; H253-I257 PolarHBondContact O-N 3.37Å; H253-I257 VanDerWaalsContact O-N 3.15Å; D254-I257 PolarHBondContact O-N 3.35Å; V255-I257 VanDerWaalsContact C-N 3.27Å; V255-I257 PolarHBondContact O-N 3.01Å; I257-C259 VanDerWaalsContact C-N 3.27Å; I257-C259 PolarHBondContact O-N 3.47Å; I257-A260 WeakPolarHBondContact O-CB 3.42Å; I257-A260 PolarHBondContact O-N 3.13Å; I257-K261 WeakPolarHBondContact O-CG 3.49Å; I257-K261 PolarHBondContact O-N 2.97Å; I257-H712 HydrophobicContact CD1-CB 4.37Å; I257-R715 HydrophobicContact CD1-CB 3.74Å; I257-R715 VanDerWaalsContact CD1-CD 3.44Å; I257-R715 HydrophobicContact CD1-CG 4.22Å |
| 258 | E | 88.8 | Confident | 86.9 | Confident | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 163 | -58.7 | -46.1 | 128.7 | 0 | 0 | 111 | D254 A260 K261 | D254-E258 WeakPolarHBondContact O-CG 3.26Å; D254-E258 PolarHBondContact O-N 2.61Å; E258-A260 VanDerWaalsContact C-N 3.31Å; E258-A260 PolarHBondContact O-N 3.21Å; E258-K261 PolarHBondContact O-N 2.88Å; E258-K261 IonicContact OE1-NZ 2.65Å; E258-K261 PolarHBondContact OE1-NZ 3.1Å; E258-K261 WeakPolarHBondContact OE2-CD 3.28Å; E258-K261 IonicContact OE2-NZ 2.91Å; E258-K261 PolarHBondContact OE2-NZ 3.47Å |
| 259 | C | 92 | Very high | 86.1 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 168.4 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | H189 V255 V256 I257 I262 | H189-C259 PolarHBondContact CE1-O 2.89Å; H189-C259 VanDerWaalsContact CE1-O 3.27Å; H189-C259 PolarHBondContact NE2-O 2.73Å; H189-C259 VanDerWaalsContact NE2-O 3.16Å; V255-C259 PolarHBondContact O-N 3.06Å; V255-C259 PolarHBondContact O-SG 3.45Å; V256-C259 WeakPolarHBondContact O-CB 3.5Å; I257-C259 VanDerWaalsContact C-N 3.27Å; I257-C259 PolarHBondContact O-N 3.47Å; C259-I262 WeakPolarHBondContact O-CG1 3.34Å |
| 260 | A | 90.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.4 | -26.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V256 I257 E258 I262 S263 E268 A269 S270 | V256-A260 PolarHBondContact O-N 3.12Å; I257-A260 WeakPolarHBondContact O-CB 3.42Å; I257-A260 PolarHBondContact O-N 3.13Å; E258-A260 VanDerWaalsContact C-N 3.31Å; E258-A260 PolarHBondContact O-N 3.21Å; A260-I262 VanDerWaalsContact C-N 3.33Å; A260-I262 PolarHBondContact O-N 3.09Å; A260-S263 PolarHBondContact O-N 3.02Å; A260-E268 WeakPolarHBondContact CB-O 3.21Å; A260-A269 WeakPolarHBondContact O-CA 3.33Å; A260-S270 PolarHBondContact O-N 3.3Å |
| 261 | K | 89.6 | Confident | 83.6 | Confident | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -22.6 | 178.5 | -73.3 | 176.8 | -167.9 | 167.2 | 0 | 114.5 | R228 I257 E258 S263 S270 | R228-K261 PolarHBondContact NH1-O 3.45Å; I257-K261 WeakPolarHBondContact O-CG 3.49Å; I257-K261 PolarHBondContact O-N 2.97Å; E258-K261 PolarHBondContact O-N 2.88Å; E258-K261 IonicContact OE1-NZ 2.65Å; E258-K261 PolarHBondContact OE1-NZ 3.1Å; E258-K261 WeakPolarHBondContact OE2-CD 3.28Å; E258-K261 IonicContact OE2-NZ 2.91Å; E258-K261 PolarHBondContact OE2-NZ 3.47Å; K261-S263 VanDerWaalsContact C-N 3.34Å; K261-S270 WeakPolarHBondContact CG-OG 3.39Å; K261-S270 PolarHBondContact N-OG 3.24Å |
| 262 | I | 89.7 | Confident | 81.9 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.4 | 176.5 | 56.5 | 146.5 | 0 | 0 | 0 | 112.9 | Y192 V227 R228 C259 A260 | Y192-I262 HydrophobicContact CD1-CD1 3.48Å; Y192-I262 VanDerWaalsContact CD1-CD1 3.48Å; Y192-I262 HydrophobicContact CE1-CD1 3.95Å; Y192-I262 HydrophobicContact CG-CD1 4.49Å; V227-I262 CarbonylContact C-O 3.53Å; V227-I262 WeakPolarHBondContact CA-O 3.3Å; R228-I262 WeakPolarHBondContact CB-O 3.4Å; R228-I262 PolarHBondContact N-O 3.44Å; C259-I262 WeakPolarHBondContact O-CG1 3.34Å; A260-I262 VanDerWaalsContact C-N 3.33Å; A260-I262 PolarHBondContact O-N 3.09Å |
| 263 | S | 87.3 | Confident | 79.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 151 | 179.5 | -151.3 | 0 | 0 | 0 | 0 | 112.7 | H189 A260 K261 D265 E268 | H189-S263 VanDerWaalsContact NE2-CB 3.29Å; H189-S263 WeakPolarHBondContact NE2-CB 3.37Å; H189-S263 PolarHBondContact NE2-OG 3.32Å; A260-S263 PolarHBondContact O-N 3.02Å; K261-S263 VanDerWaalsContact C-N 3.34Å; S263-D265 PolarHBondContact OG-N 3.32Å; S263-E268 WeakPolarHBondContact OG-CB 3.45Å |
| 264 | L | 85.5 | Confident | 77.3 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | trans | -110.6 | -10 | 163 | -63.3 | 175 | 0 | 0 | 0 | 112.3 | H226 R228 P266 | H226-L264 PolarHBondContact O-N 3.11Å; R228-L264 HydrophobicContact CG-CD1 4.41Å; R228-L264 HydrophobicContact CG-CD2 3.53Å; R228-L264 HydrophobicContact CG-CG 3.85Å; L264-P266 WeakPolarHBondContact O-CD 3.21Å | ||
| 265 | D | 81.2 | Confident | 74.5 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -76.9 | 121.2 | 176.4 | -179.1 | -21.5 | 0 | 0 | 0 | 110.2 | Y185 S263 T267 E268 A269 | Y185-D265 WeakPolarHBondContact OH-CB 3.34Å; S263-D265 PolarHBondContact OG-N 3.32Å; D265-T267 PolarHBondContact O-N 2.67Å; D265-T267 WeakPolarHBondContact OD1-CB 3.41Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.37Å; D265-T267 PolarHBondContact OD1-N 3.27Å; D265-T267 PolarHBondContact OD1-OG1 2.89Å; D265-T267 PolarHBondContact OD2-OG1 3.1Å; D265-T267 VanDerWaalsContact OD2-OG1 3.13Å; D265-E268 HydrophobicContact CB-CB 4.44Å; D265-E268 PolarHBondContact O-N 3.25Å; D265-E268 VanDerWaalsContact O-N 3.07Å; D265-A269 WeakPolarHBondContact O-CB 3.45Å; D265-A269 PolarHBondContact O-N 2.83Å |
| 266 | P | 75.5 | Confident | 71.6 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -12.4 | 177.1 | -25.2 | 35.5 | 0 | 0 | 0 | 115.9 | L264 | L264-P266 WeakPolarHBondContact O-CD 3.21Š|
| 267 | T | 72.8 | Confident | 68.8 | Low | 94 Ų | 94 | 65.6 Ų | 65.6 | 58% | 0.577 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -19.1 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | D265 K708 | D265-T267 PolarHBondContact O-N 2.67Å; D265-T267 WeakPolarHBondContact OD1-CB 3.41Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.37Å; D265-T267 PolarHBondContact OD1-N 3.27Å; D265-T267 PolarHBondContact OD1-OG1 2.89Å; D265-T267 PolarHBondContact OD2-OG1 3.1Å; D265-T267 VanDerWaalsContact OD2-OG1 3.13Å; T267-K708 PolarHBondContact O-NZ 3.39Å |
| 268 | E | 75.4 | Confident | 66.2 | Low | 17 Ų | 17 | 69.9 Ų | 69.9 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -19.3 | 176.6 | -79.7 | -73.7 | 157.8 | 0 | 0 | 112.8 | Y185 H189 A260 S263 D265 K708 | Y185-E268 HydrophobicContact CE1-CG 4.05Å; H189-E268 IonicContact CE1-OE2 2.67Å; H189-E268 IonicContact ND1-OE2 2.71Å; H189-E268 PolarHBondContact ND1-OE2 3.45Å; A260-E268 WeakPolarHBondContact CB-O 3.21Å; S263-E268 WeakPolarHBondContact OG-CB 3.45Å; D265-E268 HydrophobicContact CB-CB 4.44Å; D265-E268 PolarHBondContact O-N 3.25Å; D265-E268 VanDerWaalsContact O-N 3.07Å; E268-K708 IonicContact OE1-NZ 2.68Å; E268-K708 PolarHBondContact OE1-NZ 3.41Å; E268-K708 IonicContact OE2-NZ 2.99Å |
| 269 | A | 69.6 | Low | 63.5 | Low | 30 Ų | 30 | 74.8 Ų | 74.8 | 25% | 0.248 | 42% | 0.417 | C | S | . | . | trans | -70.7 | 138.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A260 D265 | A260-A269 WeakPolarHBondContact O-CA 3.33Å; D265-A269 WeakPolarHBondContact O-CB 3.45Å; D265-A269 PolarHBondContact O-N 2.83Å | ||
| 270 | S | 62.2 | Low | 60.7 | Low | 14 Ų | 14 | 83.1 Ų | 83.1 | 10% | 0.098 | 46% | 0.455 | C | S | . | . | trans | -80.6 | 123.4 | 166.9 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | A260 K261 E272 | A260-S270 PolarHBondContact O-N 3.3Å; K261-S270 WeakPolarHBondContact CG-OG 3.39Å; K261-S270 PolarHBondContact N-OG 3.24Å; S270-E272 PolarHBondContact O-N 3.36Å | ||
| 271 | Y | 55.8 | Low | 58 | Low | 215 Ų | 215 | 91.5 Ų | 91.5 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 45.5 | 174.5 | -67.9 | -96.4 | 0 | 0 | 0 | 113.9 | ||
| 272 | E | 53.5 | Low | 55.2 | Low | 86 Ų | 86 | 92.4 Ų | 92.4 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -8.7 | -176.1 | -156.9 | 173.6 | -123.4 | 0 | 0 | 114.2 | S270 G274 R715 | S270-E272 PolarHBondContact O-N 3.36Å; E272-G274 PolarHBondContact O-N 3.47Å; E272-R715 VanDerWaalsContact CD-NH2 3.26Å; E272-R715 IonicContact OE1-CZ 2.66Å; E272-R715 VanDerWaalsContact OE1-CZ 3.3Å; E272-R715 IonicContact OE1-NH1 3.71Å; E272-R715 PolarHBondContact OE1-NH1 2.7Å; E272-R715 IonicContact OE1-NH2 3.75Å; E272-R715 PolarHBondContact OE1-NH2 3.4Å; E272-R715 IonicContact OE2-CZ 3.3Å; E272-R715 IonicContact OE2-NH1 2.68Å; E272-R715 PolarHBondContact OE2-NH1 2.69Å; E272-R715 IonicContact OE2-NH2 3.01Å; E272-R715 PolarHBondContact OE2-NH2 2.81Å |
| 273 | D | 43.8 | Very low | 52.4 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | trans | -84 | 112.8 | 172.7 | -73.2 | -40.8 | 0 | 0 | 0 | 111.7 | R228 Y275 | R228-D273 IonicContact CZ-OD2 3.67Å; R228-D273 VanDerWaalsContact CZ-OD2 3.25Å; R228-D273 IonicContact NH1-OD2 3.68Å; R228-D273 PolarHBondContact NH1-OD2 3.49Å; R228-D273 IonicContact NH2-OD2 2.74Å; R228-D273 PolarHBondContact NH2-OD2 3.43Å; D273-Y275 PolarHBondContact O-N 3.37Å | ||
| 274 | G | 41.2 | Very low | 49.5 | Very low | 77 Ų | 77 | 107.4 Ų | 107.4 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | trans | -73.2 | 36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E272 | E272-G274 PolarHBondContact O-N 3.47Š| ||
| 275 | Y | 35 | Very low | 46.6 | Very low | 150 Ų | 150 | 113 Ų | 113 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -116.6 | 121.6 | 177.7 | -75.7 | -81.6 | 0 | 0 | 0 | 111.9 | D273 V277 S315 R316 | D273-Y275 PolarHBondContact O-N 3.37Å; Y275-V277 PolarHBondContact O-N 2.95Å; Y275-S315 PolarHBondContact OH-O 2.84Å; Y275-R316 PolarHBondContact OH-O 3.19Å |
| 276 | S | 31.3 | Very low | 44.2 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -66.7 | 88 | -169.9 | -52.1 | 0 | 0 | 0 | 0 | 114.2 | S278 | S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 3.21Å | ||
| 277 | V | 34.4 | Very low | 41.8 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | trans | -74.3 | 87.5 | 155.8 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | Y275 H279 | Y275-V277 PolarHBondContact O-N 2.95Å; V277-H279 PolarHBondContact O-N 2.92Å | ||
| 278 | S | 35.1 | Very low | 39.7 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | trans | -52.6 | 133 | -173.4 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | S276 Q280 | S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact O-N 3.21Å; S278-Q280 PolarHBondContact O-N 2.96Å | ||
| 279 | H | 33.2 | Very low | 37.5 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -61.5 | 87 | 176.9 | -71.6 | -94.5 | 0 | 0 | 0 | 112.6 | V277 | V277-H279 PolarHBondContact O-N 2.92Š|
| 280 | Q | 31.3 | Very low | 35.6 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -126.8 | -8.9 | 168.2 | -71.4 | -160.8 | 0.4 | 0 | 0 | 115.1 | S278 S282 | S278-Q280 PolarHBondContact O-N 2.96Å; Q280-S282 PolarHBondContact O-N 3.38Å | ||
| 281 | I | 34.6 | Very low | 34 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.6 | 32.5 | 165 | -39.1 | -174.9 | 0 | 0 | 0 | 110.6 | A283 | I281-A283 PolarHBondContact O-N 3.36Š|
| 282 | S | 31 | Very low | 32.9 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 52% | 0.517 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -77.4 | 113.2 | 166.4 | -70.1 | 0 | 0 | 0 | 0 | 109.7 | Q280 | Q280-S282 PolarHBondContact O-N 3.38Š|
| 283 | A | 30.7 | Very low | 31.7 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 50.6 | 64.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | I281 | I281-A283 PolarHBondContact O-N 3.36Š|
| 284 | R | 26 | Very low | 31.2 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | -156.3 | 66.7 | 172.7 | -113.4 | 168 | -152.8 | -178 | 6.3 | 116.4 | ||||
| 285 | F | 25.7 | Very low | 31.2 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -144.6 | 153 | 145.2 | -87 | -63.5 | 0 | 0 | 0 | 108.4 | ||||
| 286 | P | 29.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -116.5 | 166.3 | -133.7 | 11.5 | 12.5 | 0 | 0 | 0 | 113.9 | R288 | P286-R288 PolarHBondContact O-N 3.09Š| ||
| 287 | H | 26.8 | Very low | 31.9 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -57.6 | 120.2 | 155.2 | -71 | -70.8 | 0 | 0 | 0 | 109.4 | ||||
| 288 | R | 28.7 | Very low | 31.9 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -136.1 | 116.7 | 158.1 | -155.8 | 175.3 | -166.8 | -173.8 | 3 | 110.2 | P286 | P286-R288 PolarHBondContact O-N 3.09Š| ||
| 289 | S | 28.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -106.4 | 173.3 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 290 | A | 29.5 | Very low | 32 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | 86.7 | 114.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 291 | D | 27.9 | Very low | 32.3 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | 82.9 | 105.1 | 118.8 | -57.2 | -12.8 | 0 | 0 | 0 | 124.7 | |||||
| 292 | V | 32.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | 73.6 | 130.6 | 114.2 | 177.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 293 | T | 28.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | 74.6 | 118.2 | 160.4 | 42.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 294 | T | 33.9 | Very low | 32.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 25.8 | 124.8 | 135.4 | 56.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 295 | S | 41.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | 26.5 | 135.3 | 127.4 | -161 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 296 | P | 45 | Very low | 33.7 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -156.3 | -176.5 | 48.3 | 43.4 | -21 | 0 | 0 | 0 | 119.9 | ||||
| 297 | Y | 35.7 | Very low | 33.9 | Very low | 220 Ų | 220 | 135.4 Ų | 135.4 | 86% | 0.863 | 77% | 0.771 | S | S | * | * | trans | 18.5 | 157 | 152 | -133.9 | -103.7 | 0 | 0 | 0 | 126.4 | ||||
| 298 | A | 34.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | 83.5 | 141.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 299 | D | 33.5 | Very low | 34.5 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -159.7 | 158.8 | -14.8 | -133.8 | -33.1 | 0 | 0 | 0 | 115.8 | ||||
| 300 | T | 36.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 50.9 | 107.4 | 161.3 | 50 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 301 | Q | 37.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 73.4 | 125.4 | 131 | -62 | -163.5 | 16.9 | 0 | 0 | 127.9 | ||||
| 302 | N | 32.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 102.3 | 134.2 | 131.2 | -89.2 | -7.3 | 0 | 0 | 0 | 126.2 | ||||
| 303 | S | 35.9 | Very low | 35.4 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 87.2 | 116.3 | 149.9 | -72.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 304 | Y | 36.3 | Very low | 35.5 | Very low | 232 Ų | 232 | 131 Ų | 131 | 91% | 0.91 | 77% | 0.765 | S | S | * | * | trans | 30.3 | 135.7 | 143.7 | -59.7 | -83.4 | 0 | 0 | 0 | 124.2 | ||||
| 305 | G | 37.2 | Very low | 35.4 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | 129.9 | 112.2 | 111.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 306 | C | 35.6 | Very low | 35 | Very low | 130 Ų | 130 | 132 Ų | 132 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | 39.3 | 114.6 | 137.2 | -75.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 307 | A | 33.9 | Very low | 34.5 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | 83.7 | 148.6 | 100.7 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 308 | T | 30.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | 87.5 | 145.9 | 137.8 | 34.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 309 | S | 38.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 84.5 | 151.1 | 156 | 75.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 310 | T | 28.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | -179.1 | 158.4 | -63.9 | 33 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 311 | P | 42.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -114.2 | 173.3 | -159.6 | 42.4 | -34.7 | 0 | 0 | 0 | 116.5 | ||||
| 312 | Y | 32.9 | Very low | 34.5 | Very low | 231 Ų | 231 | 131.6 Ų | 131.6 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | -159 | 151.7 | 167.9 | -90.9 | -72.4 | 0 | 0 | 0 | 108.2 | ||||
| 313 | S | 31.7 | Very low | 35 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | cis | -167.2 | 166.9 | -4.1 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 314 | T | 31.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 75.5 | 140.1 | 147 | -53.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 315 | S | 31.6 | Very low | 34.9 | Very low | 68 Ų | 68 | 127.1 Ų | 127.1 | 48% | 0.476 | 74% | 0.737 | S | S | . | * | cis | -178.6 | 143.7 | -25 | -91.5 | 0 | 0 | 0 | 0 | 113 | Y275 | Y275-S315 PolarHBondContact OH-O 2.84Š| ||
| 316 | R | 33 | Very low | 34.7 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 73% | 0.725 | 74% | 0.737 | S | S | * | * | trans | 62.3 | 156.8 | 137.3 | -71 | -176.3 | 170.3 | -133.1 | -3.8 | 120.6 | Y275 | Y275-R316 PolarHBondContact OH-O 3.19Š| ||
| 317 | L | 33.6 | Very low | 34.7 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 54% | 0.539 | 73% | 0.727 | S | S | . | * | cis | -163.3 | 142.9 | -4.4 | -96.9 | 160.4 | 0 | 0 | 0 | 106.2 | ||||
| 318 | M | 34.5 | Very low | 34.7 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | 77.7 | 138.1 | 70.7 | -72.6 | -68.5 | 171.5 | 0 | 0 | 120 | |||||
| 319 | L | 34 | Very low | 34.6 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | trans | 177 | 178.8 | 154.5 | -97 | 168.3 | 0 | 0 | 0 | 108.3 | F507 | L319-F507 HydrophobicContact CD1-CD2 4.38Š| ||
| 320 | L | 32.7 | Very low | 34.3 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | cis | -144 | -143.4 | 9.4 | -139 | 177.2 | 0 | 0 | 0 | 110.8 | ||||
| 321 | N | 35.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | -141.5 | -173.3 | -157.1 | -150.4 | 7.4 | 0 | 0 | 0 | 119.4 | ||||
| 322 | M | 41.7 | Very low | 33.9 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | -56 | 173.1 | -176.2 | -56.9 | -64.3 | 104 | 0 | 0 | 117.9 | ||||
| 323 | P | 42.6 | Very low | 34.4 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 84% | 0.844 | 69% | 0.69 | S | S | * | * | trans | -151.3 | 167.1 | 134.8 | 39.8 | -23.7 | 0 | 0 | 0 | 119.6 | ||||
| 324 | G | 34 | Very low | 34.5 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -133.1 | -178.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 325 | Q | 36.7 | Very low | 34.7 | Very low | 175 Ų | 175 | 118.9 Ų | 118.9 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -159.5 | 179.3 | -159.9 | -105.9 | -175.6 | -65.1 | 0 | 0 | 113.5 | ||||
| 326 | L | 32.9 | Very low | 34.7 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | cis | -126.3 | -93.3 | 18.6 | -108.1 | 117.2 | 0 | 0 | 0 | 118 | ||||
| 327 | P | 34.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | trans | -137.6 | 161.1 | -130.5 | 43.6 | -26.3 | 0 | 0 | 0 | 122.6 | ||||
| 328 | Q | 33.3 | Very low | 34.7 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | trans | 86.5 | 149.5 | 159 | -72 | 173.1 | -12.9 | 0 | 0 | 120.6 | ||||
| 329 | T | 30.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | cis | -170.7 | 138.8 | -47.8 | 17.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 330 | L | 31.2 | Very low | 35 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | trans | 63.9 | 141.8 | 148.2 | -55.9 | 166.9 | 0 | 0 | 0 | 119.7 | ||||
| 331 | S | 32.7 | Very low | 34.8 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | cis | -154.9 | -166.7 | 41.7 | -54.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 332 | S | 30.9 | Very low | 34.9 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | trans | -130.1 | -144.4 | -143.4 | -52.7 | 0 | 0 | 0 | 0 | 121.8 | Q739 Q743 | S332-Q739 VanDerWaalsContact CB-CD 3.46Å; S332-Q739 PolarHBondContact OG-NE2 3.41Å; S332-Q739 PolarHBondContact OG-OE1 3.06Å; S332-Q743 PolarHBondContact O-NE2 3.39Å; S332-Q743 VanDerWaalsContact O-NE2 3.1Å | ||
| 333 | P | 44.2 | Very low | 34.5 | Very low | 55 Ų | 55 | 117.4 Ų | 117.4 | 36% | 0.357 | 66% | 0.663 | S | S | . | * | -146.6 | 174.3 | -127.3 | 43.5 | -19.2 | 0 | 0 | 0 | 123.8 | Q739 L742 Q743 | P333-Q739 HydrophobicContact CB-CB 4.07Å; P333-Q739 HydrophobicContact CB-CG 3.76Å; P333-Q739 HydrophobicContact CG-CB 3.84Å; P333-Q739 HydrophobicContact CG-CG 3.84Å; P333-L742 HydrophobicContact CB-CB 4.22Å; P333-L742 HydrophobicContact CB-CD1 4.3Å; P333-L742 HydrophobicContact CG-CD1 4.14Å; P333-Q743 HydrophobicContact CB-CG 3.75Å | |||
| 334 | S | 34 | Very low | 34 | Very low | 50 Ų | 50 | 115.6 Ų | 115.6 | 35% | 0.35 | 66% | 0.659 | S | S | . | * | trans | -169.9 | 152.6 | 160.5 | -91.1 | 0 | 0 | 0 | 0 | 112.9 | L742 Q743 D746 | S334-L742 CarbonylContact C-O 3.57Å; S334-L742 VanDerWaalsContact C-O 3.25Å; S334-L742 CarbonylContact O-C 3.59Å; S334-Q743 WeakPolarHBondContact O-CA 3.49Å; S334-Q743 PolarHBondContact O-N 2.84Å; S334-D746 WeakPolarHBondContact CB-OD2 3.19Å; S334-D746 VanDerWaalsContact O-OD1 3.04Å | ||
| 335 | T | 34.2 | Very low | 34 | Very low | 66 Ų | 66 | 117 Ų | 117 | 41% | 0.405 | 65% | 0.654 | S | S | . | * | cis | -154.6 | 119.5 | -17.7 | -97.9 | 0 | 0 | 0 | 0 | 120 | L742 D746 | T335-L742 VanDerWaalsContact N-CA 3.32Å; T335-L742 PolarHBondContact N-O 3.1Å; T335-D746 PolarHBondContact N-OD1 3.24Å; T335-D746 VanDerWaalsContact N-OD1 3.09Å | ||
| 336 | R | 33.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 116 Ų | 116 | 64% | 0.638 | 65% | 0.654 | S | S | * | * | trans | 75.4 | 155.5 | 140.9 | -73.6 | -169.7 | -176.6 | -164 | 2.1 | 129.1 | L742 K745 | R336-L742 HydrophobicContact CB-CD2 4.27Å; R336-L742 HydrophobicContact CG-CD2 3.75Å; R336-K745 WeakPolarHBondContact O-CD 3.41Å; R336-K745 WeakPolarHBondContact O-CE 3.41Å; R336-K745 PolarHBondContact O-NZ 3.22Å | ||
| 337 | L | 31.6 | Very low | 35 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | trans | 99 | 128.9 | 140.3 | -94.3 | 167 | 0 | 0 | 0 | 125.5 | ||||
| 338 | I | 34.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 112.5 Ų | 112.5 | 88% | 0.882 | 62% | 0.621 | S | S | * | * | trans | -168.5 | 168.8 | 139.5 | -96.5 | 167.3 | 0 | 0 | 0 | 107.7 | ||||
| 339 | T | 32.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 108 Ų | 108 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | trans | -142.1 | 153.6 | -164.1 | -52.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 340 | E | 41.5 | Very low | 36.8 | Very low | 178 Ų | 178 | 105.1 Ų | 105.1 | 83% | 0.832 | 59% | 0.592 | S | S | * | * | trans | -133.6 | 149 | 177.2 | -169.7 | 177 | -161.8 | 0 | 0 | 112.4 | ||||
| 341 | P | 29.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 75% | 0.747 | 59% | 0.585 | S | S | * | * | trans | -85.9 | 174.5 | 179.7 | 34.9 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 342 | P | 35.7 | Very low | 38.8 | Very low | 90 Ų | 90 | 103.5 Ų | 103.5 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | trans | -107.1 | 172.5 | -137.6 | 39.4 | -36.5 | 0 | 0 | 0 | 119 | P387 L388 | P342-P387 HydrophobicContact CB-CB 3.6Å; P342-P387 HydrophobicContact CB-CG 3.75Å; P342-P387 HydrophobicContact CG-CB 3.67Å; P342-P387 HydrophobicContact CG-CG 3.67Å; P342-L388 HydrophobicContact CB-CD1 4.3Å | ||
| 343 | Q | 33.1 | Very low | 39.7 | Very low | 85 Ų | 85 | 104.5 Ų | 104.5 | 40% | 0.397 | 58% | 0.582 | S | S | . | * | trans | -74.8 | 151.5 | -158.2 | -57.4 | 160.4 | -40.2 | 0 | 0 | 117.2 | P387 L388 | Q343-P387 WeakPolarHBondContact O-CA 3.49Å; Q343-P387 VanDerWaalsContact O-CB 3.23Å; Q343-P387 WeakPolarHBondContact O-CB 3.25Å; Q343-L388 HydrophobicContact CB-CD1 4.22Å; Q343-L388 HydrophobicContact CG-CD1 4.36Å | ||
| 344 | A | 32.5 | Very low | 39.6 | Very low | 91 Ų | 91 | 105.2 Ų | 105.2 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -97.5 | 143.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111 | L346 | A344-L346 PolarHBondContact O-N 3.46Å; A344-L346 VanDerWaalsContact O-N 3.11Å | ||
| 345 | T | 34.8 | Very low | 40.3 | Very low | 100 Ų | 100 | 110.8 Ų | 110.8 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | trans | -73.1 | 98.2 | -164.9 | -29.6 | 0 | 0 | 0 | 0 | 114 | W347 L388 | T345-W347 PolarHBondContact O-N 3.19Å; T345-L388 WeakPolarHBondContact CB-O 3.37Å; T345-L388 WeakPolarHBondContact CG2-O 3.42Å; T345-L388 PolarHBondContact OG1-O 3.46Å | ||
| 346 | L | 41.3 | Very low | 40.8 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 81% | 0.806 | 64% | 0.641 | S | S | * | * | trans | -76.7 | 108.9 | 165.2 | -82.8 | 168.1 | 0 | 0 | 0 | 109.8 | A344 S348 | A344-L346 PolarHBondContact O-N 3.46Å; A344-L346 VanDerWaalsContact O-N 3.11Å; L346-S348 PolarHBondContact O-N 2.68Å | ||
| 347 | W | 49.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 109.8 Ų | 109.8 | 55% | 0.549 | 64% | 0.635 | S | S | . | * | trans | -64.1 | 130.1 | -175.5 | -158 | 76.2 | 0 | 0 | 0 | 111.8 | T345 V352 S584 | T345-W347 PolarHBondContact O-N 3.19Å; W347-V352 HydrophobicContact CH2-CG2 4.28Å; W347-V352 HydrophobicContact CZ2-CG2 3.69Å; W347-S584 PolarHBondContact NE1-OG 3.44Å | ||
| 348 | S | 42.6 | Very low | 41.7 | Very low | 26 Ų | 26 | 109.2 Ų | 109.2 | 18% | 0.182 | 64% | 0.639 | C | S | . | * | trans | -134.1 | 133.1 | -177.3 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | L346 S350 M351 P391 | L346-S348 PolarHBondContact O-N 2.68Å; S348-S350 PolarHBondContact O-N 2.93Å; S348-S350 VanDerWaalsContact O-N 3.13Å; S348-M351 PolarHBondContact O-N 3.28Å; S348-P391 VanDerWaalsContact CB-CB 3.46Å; S348-P391 WeakPolarHBondContact OG-CB 3.46Å | ||
| 349 | P | 40.4 | Very low | 41.6 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -30.2 | -177.2 | -28.9 | 36.3 | 0 | 0 | 0 | 115.3 | M351 V352 C353 | P349-M351 PolarHBondContact O-N 3.13Å; P349-V352 PolarHBondContact O-N 2.85Å; P349-C353 PolarHBondContact O-N 3.09Å |
| 350 | S | 52 | Low | 41.9 | Very low | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -54 | -39.4 | 178.4 | -59 | 0 | 0 | 0 | 0 | 113.1 | S348 V352 C353 A392 | S348-S350 PolarHBondContact O-N 2.93Å; S348-S350 VanDerWaalsContact O-N 3.13Å; S350-V352 PolarHBondContact O-N 3.44Å; S350-C353 PolarHBondContact O-N 3.17Å; S350-A392 WeakPolarHBondContact CB-O 3.09Å; S350-A392 PolarHBondContact OG-N 2.96Å; S350-A392 PolarHBondContact OG-O 2.79Å |
| 351 | M | 51.2 | Low | 41.8 | Very low | 135 Ų | 135 | 104.8 Ų | 104.8 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.2 | -13.4 | -177.9 | -72.8 | -64.7 | -65.4 | 0 | 0 | 113.9 | S348 P349 T390 | S348-M351 PolarHBondContact O-N 3.28Å; P349-M351 PolarHBondContact O-N 3.13Å; M351-T390 VanDerWaalsContact CG-O 3.25Å; M351-T390 WeakPolarHBondContact CG-O 3.37Å |
| 352 | V | 55.2 | Low | 42.3 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -102.5 | -20.9 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | W347 P349 S350 | W347-V352 HydrophobicContact CH2-CG2 4.28Å; W347-V352 HydrophobicContact CZ2-CG2 3.69Å; P349-V352 PolarHBondContact O-N 2.85Å; S350-V352 PolarHBondContact O-N 3.44Å |
| 353 | C | 50.2 | Low | 42.3 | Very low | 88 Ų | 88 | 104.5 Ų | 104.5 | 60% | 0.595 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -101.9 | -0.8 | -172.7 | -63.3 | 0 | 0 | 0 | 0 | 115 | P349 S350 M355 | P349-C353 PolarHBondContact O-N 3.09Å; S350-C353 PolarHBondContact O-N 3.17Å; C353-M355 WeakPolarHBondContact O-CG 3.47Å; C353-M355 PolarHBondContact O-N 3.41Å; C353-M355 VanDerWaalsContact O-N 3.09Å |
| 354 | G | 42.5 | Very low | 42.4 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | trans | 64.8 | 14.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | T356 | G354-T356 PolarHBondContact O-N 2.92Š| ||
| 355 | M | 47.1 | Very low | 42.6 | Very low | 167 Ų | 167 | 110.8 Ų | 110.8 | 82% | 0.823 | 68% | 0.678 | S | S | * | * | trans | -86.6 | 103.7 | -174.5 | -61.5 | -158.6 | 78.4 | 0 | 0 | 112.3 | C353 | C353-M355 WeakPolarHBondContact O-CG 3.47Å; C353-M355 PolarHBondContact O-N 3.41Å; C353-M355 VanDerWaalsContact O-N 3.09Å | ||
| 356 | T | 44.9 | Very low | 42.7 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 133.4 | 169 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | G354 | G354-T356 PolarHBondContact O-N 2.92Š|
| 357 | T | 43.3 | Very low | 42.5 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 51% | 0.509 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 130.1 | 172.9 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 358 | P | 40.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149.8 | 179.8 | 30.8 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 359 | P | 33.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 146.7 | -175.7 | 37 | -34.9 | 0 | 0 | 0 | 115.1 | ||
| 360 | T | 38.7 | Very low | 40.9 | Very low | 140 Ų | 140 | 115.7 Ų | 115.7 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | trans | -157.1 | 131 | -179.7 | -46.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 361 | S | 40 | Very low | 40 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | cis | -152.1 | 175.6 | -3.5 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | P | 39.7 | Very low | 39.3 | Very low | 133 Ų | 133 | 121 Ų | 121 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -117.1 | 174.9 | -154.1 | 43.2 | -36.6 | 0 | 0 | 0 | 118.6 | ||||
| 363 | G | 35.3 | Very low | 38.3 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 134.4 | 131.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | N | 35.3 | Very low | 37.6 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | cis | -138 | 158.6 | -0 | -85.8 | -10.1 | 0 | 0 | 0 | 111.6 | ||||
| 365 | V | 37.1 | Very low | 37.2 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -97.6 | -175.6 | 172.5 | -107.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 366 | P | 35.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -134 | -161.3 | -6 | 24.8 | 1.7 | 0 | 0 | 0 | 113 | ||||
| 367 | P | 37.4 | Very low | 36 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | cis | -126.5 | -178.8 | -35.8 | 27.6 | -6.8 | 0 | 0 | 0 | 114.1 | ||||
| 368 | D | 31.5 | Very low | 35.7 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -54.3 | 159.8 | 178.6 | -47.9 | -90.7 | 0 | 0 | 0 | 118.5 | ||||
| 369 | L | 35.2 | Very low | 35.4 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | -172.9 | 137.4 | 102.2 | -94.2 | 167.2 | 0 | 0 | 0 | 115.3 | |||||
| 370 | S | 32.4 | Very low | 35.6 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | trans | 0.5 | 152.7 | 149.2 | 59.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 371 | H | 32.5 | Very low | 35.4 | Very low | 188 Ų | 188 | 128 Ų | 128 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | cis | -168.8 | 176.4 | -4.3 | -105 | -21.1 | 0 | 0 | 0 | 112 | ||||
| 372 | P | 37.9 | Very low | 35.2 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -118.6 | 177.2 | -161.8 | 43.9 | -35.7 | 0 | 0 | 0 | 117.5 | ||||
| 373 | Y | 33.3 | Very low | 35 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -135.3 | 129.8 | 161.7 | -119.2 | -119.9 | 0 | 0 | 0 | 108.8 | ||||
| 374 | S | 34.7 | Very low | 35 | Very low | 79 Ų | 79 | 131 Ų | 131 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | 63.4 | 139.3 | 73.2 | -79.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 375 | K | 35.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 73% | 0.726 | 76% | 0.756 | S | S | * | * | cis | -159.9 | -169.7 | 2.2 | -91 | 149.8 | -172.3 | 149.5 | 0 | 106.6 | ||||
| 376 | V | 33.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | -162 | 134.5 | 8.7 | 94.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 377 | F | 33.2 | Very low | 35.4 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 57.1 | 164.8 | 144.3 | -70.1 | -139 | 0 | 0 | 0 | 121.5 | ||||
| 378 | G | 36.2 | Very low | 35.6 | Very low | 55 Ų | 55 | 123.8 Ų | 123.8 | 57% | 0.567 | 73% | 0.733 | S | S | * | * | cis | -165.3 | 156.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 379 | T | 34.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | 69.9 | 128.9 | 99.9 | 61.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 380 | T | 36.9 | Very low | 36.5 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | cis | -142.5 | -164.4 | 14.8 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 381 | A | 36.4 | Very low | 36.9 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | cis | -158.6 | 169.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 382 | G | 35.9 | Very low | 37.3 | Very low | 84 Ų | 84 | 107.9 Ų | 107.9 | 87% | 0.866 | 67% | 0.669 | S | S | * | * | trans | 53.9 | 115.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 383 | G | 35.2 | Very low | 37.3 | Very low | 69 Ų | 69 | 107.2 Ų | 107.2 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | cis | 165.7 | 142.8 | -12 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 384 | K | 35.5 | Very low | 37.5 | Very low | 221 Ų | 221 | 101.7 Ų | 101.7 | 96% | 0.961 | 65% | 0.654 | S | S | * | * | trans | 72.4 | 120 | 170.3 | -48.8 | 173.9 | -178.4 | 178.6 | 0 | 117.4 | ||||
| 385 | G | 37.8 | Very low | 37.8 | Very low | 72 Ų | 72 | 103.6 Ų | 103.6 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | cis | 168.4 | 133.2 | -17.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 386 | T | 40 | Very low | 38 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 87% | 0.871 | 67% | 0.666 | S | S | * | * | trans | 94.4 | 132.6 | 142.1 | -42.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 387 | P | 38.1 | Very low | 38.5 | Very low | 66 Ų | 66 | 101.8 Ų | 101.8 | 43% | 0.429 | 67% | 0.672 | S | S | . | * | trans | -106 | -155.5 | -176.1 | 43.6 | -39.3 | 0 | 0 | 0 | 117.8 | P342 Q343 | P342-P387 HydrophobicContact CB-CB 3.6Å; P342-P387 HydrophobicContact CB-CG 3.75Å; P342-P387 HydrophobicContact CG-CB 3.67Å; P342-P387 HydrophobicContact CG-CG 3.67Å; Q343-P387 WeakPolarHBondContact O-CA 3.49Å; Q343-P387 VanDerWaalsContact O-CB 3.23Å; Q343-P387 WeakPolarHBondContact O-CB 3.25Å | ||
| 388 | L | 41.6 | Very low | 38.8 | Very low | 102 Ų | 102 | 97 Ų | 97 | 53% | 0.534 | 67% | 0.668 | S | S | . | * | cis | -156.6 | -172.7 | 23.8 | -149.9 | 65.3 | 0 | 0 | 0 | 110.8 | P342 Q343 T345 | P342-L388 HydrophobicContact CB-CD1 4.3Å; Q343-L388 HydrophobicContact CB-CD1 4.22Å; Q343-L388 HydrophobicContact CG-CD1 4.36Å; T345-L388 WeakPolarHBondContact CB-O 3.37Å; T345-L388 WeakPolarHBondContact CG2-O 3.42Å; T345-L388 PolarHBondContact OG1-O 3.46Å | ||
| 389 | G | 44.3 | Very low | 38.8 | Very low | 20 Ų | 20 | 100.1 Ų | 100.1 | 21% | 0.206 | 68% | 0.678 | C | S | . | * | cis | -167.3 | -144.8 | 15.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 390 | T | 41.6 | Very low | 38.8 | Very low | 85 Ų | 85 | 101.6 Ų | 101.6 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | trans | -137 | -178.2 | -146.5 | 30.3 | 0 | 0 | 0 | 0 | 121.4 | M351 | M351-T390 VanDerWaalsContact CG-O 3.25Å; M351-T390 WeakPolarHBondContact CG-O 3.37Å | ||
| 391 | P | 40.1 | Very low | 38.8 | Very low | 84 Ų | 84 | 100 Ų | 100 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -132.2 | -163.2 | -162.5 | 48.2 | -35.3 | 0 | 0 | 0 | 120.3 | S348 | S348-P391 VanDerWaalsContact CB-CB 3.46Å; S348-P391 WeakPolarHBondContact OG-CB 3.46Å | ||
| 392 | A | 40.3 | Very low | 38.8 | Very low | 52 Ų | 52 | 104.1 Ų | 104.1 | 43% | 0.43 | 68% | 0.677 | S | S | . | * | trans | 110.2 | 175.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | S350 | S350-A392 WeakPolarHBondContact CB-O 3.09Å; S350-A392 PolarHBondContact OG-N 2.96Å; S350-A392 PolarHBondContact OG-O 2.79Å | ||
| 393 | T | 37.5 | Very low | 38.7 | Very low | 93 Ų | 93 | 104.1 Ų | 104.1 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | cis | -163.2 | 155 | 6.3 | -23.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 394 | S | 38.9 | Very low | 38.7 | Very low | 87 Ų | 87 | 107.3 Ų | 107.3 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | trans | 60.8 | 178.4 | 145.3 | 74.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 395 | P | 40.4 | Very low | 38.7 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | cis | -132.8 | -145.3 | 2.2 | 49.8 | -29.6 | 0 | 0 | 0 | 117.6 | ||||
| 396 | P | 40.1 | Very low | 38.6 | Very low | 117 Ų | 117 | 109.6 Ų | 109.6 | 76% | 0.76 | 66% | 0.656 | S | S | * | * | trans | -126 | -139 | -134.6 | 40.2 | -13.7 | 0 | 0 | 0 | 114.8 | ||||
| 397 | P | 43.2 | Very low | 38.3 | Very low | 121 Ų | 121 | 107.2 Ų | 107.2 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | cis | -136 | -147.4 | -24 | 41.4 | -19 | 0 | 0 | 0 | 115.5 | ||||
| 398 | A | 39.9 | Very low | 38.1 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | trans | 92.6 | 152.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 399 | P | 35.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | trans | -134.7 | -166.1 | -138.3 | 44.9 | -28.2 | 0 | 0 | 0 | 121.1 | ||||
| 400 | L | 36.6 | Very low | 37.3 | Very low | 161 Ų | 161 | 118.8 Ų | 118.8 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | 108.3 | 162.3 | 169.6 | -59.6 | 172.5 | 0 | 0 | 0 | 117.9 | ||||
| 401 | C | 35.7 | Very low | 37.2 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | -170.7 | 165.7 | -51.7 | -100 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 402 | H | 35.5 | Very low | 37.2 | Very low | 179 Ų | 179 | 123 Ų | 123 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | 66 | 161 | 160.8 | -74.4 | -66.2 | 0 | 0 | 0 | 121.8 | ||||
| 403 | S | 35 | Very low | 37 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | cis | -166.5 | 156.7 | -21.9 | -113.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 404 | D | 35.3 | Very low | 37 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 50 | 143.4 | 141.6 | -50.2 | -47.3 | 0 | 0 | 0 | 129.7 | ||||
| 405 | D | 34.9 | Very low | 36.7 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 87.4 | 130.8 | 141.7 | -79.5 | -23.5 | 0 | 0 | 0 | 130 | ||||
| 406 | Y | 35.2 | Very low | 36.9 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | 62.9 | 149.5 | 146.7 | -84.5 | -121.1 | 0 | 0 | 0 | 123.4 | ||||
| 407 | V | 34.7 | Very low | 36.7 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | cis | -167.3 | 142 | -22.6 | 108.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 408 | H | 34.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 130 Ų | 130 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | trans | 41.9 | -172.3 | 158.8 | -45.4 | -53.4 | 0 | 0 | 0 | 122.6 | ||||
| 409 | I | 34.2 | Very low | 37 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | cis | -160.1 | 155.9 | -1.1 | -146.4 | 170.4 | 0 | 0 | 0 | 116.2 | ||||
| 410 | S | 33.3 | Very low | 37.1 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 154.2 | 149.4 | -71.2 | 0 | 0 | 0 | 0 | 129.5 | ||||
| 411 | L | 40.3 | Very low | 37.2 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -131.6 | 177 | -170.9 | -161.1 | 83.1 | 0 | 0 | 0 | 112.3 | Q413 | L411-Q413 HydrophobicContact CD2-CG 4.24Š| ||
| 412 | P | 40.1 | Very low | 37.1 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | -149.5 | 143.5 | 98.4 | 34 | -13.9 | 0 | 0 | 0 | 116.6 | |||||
| 413 | Q | 35.8 | Very low | 37 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | 51.8 | 142.2 | 90.9 | -64.2 | -172.1 | 4.6 | 0 | 0 | 117.1 | L411 E495 | L411-Q413 HydrophobicContact CD2-CG 4.24Å; Q413-E495 PolarHBondContact NE2-OE2 2.81Å | |||
| 414 | A | 37 | Very low | 36.9 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | cis | -155.5 | -148.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 415 | T | 34.4 | Very low | 36.7 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | -170.4 | -176.2 | 10.8 | -19.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 416 | V | 44.7 | Very low | 36.4 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 93.9 | 143.5 | 163.7 | -167.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 417 | T | 35.4 | Very low | 36.2 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -153.5 | -166.3 | -158.5 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 418 | P | 45.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -118.9 | -110.4 | -45.6 | 25.9 | -3.3 | 0 | 0 | 0 | 111 | ||||
| 419 | P | 44.6 | Very low | 36 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | -132.3 | 168.9 | -52.7 | 36 | -17.4 | 0 | 0 | 0 | 118.2 | |||||
| 420 | R | 38 | Very low | 35.9 | Very low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 99.9 | 131.6 | 151.5 | -60.3 | -157.4 | 168.4 | -176.4 | -4.6 | 122.3 | ||||
| 421 | K | 36.7 | Very low | 35.5 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 63 | 138.1 | 175.3 | -78.1 | 177.9 | 160.7 | -98.9 | 0 | 115.8 | ||||
| 422 | E | 33.9 | Very low | 35.1 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | cis | -133.3 | -173.8 | -0.3 | -152.9 | 137.8 | 113.7 | 0 | 0 | 110.7 | ||||
| 423 | E | 33.3 | Very low | 34.6 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -86.9 | 128.8 | -150.8 | -70.8 | 178.1 | 93.5 | 0 | 0 | 119.1 | ||||
| 424 | R | 33 | Very low | 34.4 | Very low | 235 Ų | 235 | 153.4 Ų | 153.4 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | 41.9 | 102.5 | 128.6 | -157.9 | 163.8 | -167.4 | 177.1 | 3.2 | 120 | |||||
| 425 | M | 31.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -41.9 | 137.6 | 147.1 | -168.9 | 169.3 | 72.1 | 0 | 0 | 111.3 | ||||
| 426 | D | 29.2 | Very low | 34 | Very low | 126 Ų | 126 | 156.6 Ų | 156.6 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | -166.7 | 167.2 | 72.7 | -141.7 | -53.9 | 0 | 0 | 0 | 115.2 | |||||
| 427 | S | 30.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 158.7 Ų | 158.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 60.6 | 93.3 | 153.7 | -69.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 428 | A | 32.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 159.8 Ų | 159.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -95.5 | 152.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 429 | R | 31.9 | Very low | 32.5 | Very low | 232 Ų | 232 | 162 Ų | 162 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -44.1 | 162.7 | 169.7 | -85.9 | 176.4 | 176.5 | 165.3 | -1.3 | 115.4 | ||||
| 430 | P | 32.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 164.3 Ų | 164.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | cis | -133.2 | 147.8 | 26.3 | 36.8 | -18.7 | 0 | 0 | 0 | 118.4 | ||||
| 431 | C | 25.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 159.8 Ų | 159.8 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -72.2 | 136.4 | 168.3 | -44.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 432 | L | 30.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 162 Ų | 162 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -141.6 | 83 | 159.9 | -76.5 | -178.4 | 0 | 0 | 0 | 111 | ||||
| 433 | H | 30.3 | Very low | 31.1 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -137.2 | 128.2 | 150.5 | -116 | 56.1 | 0 | 0 | 0 | 108.7 | ||||
| 434 | R | 31.4 | Very low | 30.9 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -141.4 | 111.1 | -165.5 | 176.6 | 173.7 | -171.1 | -172.1 | 1.6 | 110.1 | ||||
| 435 | Q | 31.2 | Very low | 30.8 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | 51.7 | 151 | 141.2 | -68.8 | 169.8 | -41.9 | 0 | 0 | 119.1 | ||||
| 436 | H | 31.4 | Very low | 30.8 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 70% | 0.704 | 79% | 0.79 | S | S | * | * | cis | -152.5 | 151.2 | 2.3 | -122.4 | -59 | 0 | 0 | 0 | 107.8 | ||||
| 437 | H | 32.6 | Very low | 31.4 | Very low | 180 Ų | 180 | 151 Ų | 151 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 149.3 | 141.8 | -111.2 | -88.3 | 0 | 0 | 0 | 107.9 | ||||
| 438 | L | 29.7 | Very low | 31.9 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -96.8 | 152.2 | -174.1 | -55.3 | 96.5 | 0 | 0 | 0 | 111.1 | ||||
| 439 | L | 31.4 | Very low | 32 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | -162.2 | 152.2 | 120.4 | -109.1 | 160.1 | 0 | 0 | 0 | 111.5 | |||||
| 440 | N | 33.3 | Very low | 32.1 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 60.4 | 153.1 | -179.9 | -61.6 | 0.6 | 0 | 0 | 0 | 117.9 | ||||
| 441 | D | 29 | Very low | 32.4 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | -176.5 | 152.2 | -51.2 | 174.2 | 36.9 | 0 | 0 | 0 | 105.9 | |||||
| 442 | R | 32.6 | Very low | 33 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | 77.3 | 142.6 | -162.5 | -53 | 171.7 | 172.2 | -115.8 | -3.5 | 114.9 | ||||
| 443 | G | 29.5 | Very low | 33.3 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 143.4 | 122.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 444 | S | 29 | Very low | 33.4 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 62.9 | 156 | 173.4 | -71.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 445 | E | 30.7 | Very low | 33.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | cis | -157 | 177.4 | -23.9 | -112 | 161.4 | 127.2 | 0 | 0 | 106 | ||||
| 446 | E | 31.9 | Very low | 34 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | cis | -151.8 | 169.5 | 38.9 | -92 | -164.9 | 107.8 | 0 | 0 | 112.9 | ||||
| 447 | P | 42.4 | Very low | 34.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 62% | 0.623 | 79% | 0.785 | S | S | * | * | trans | -106 | -162.1 | 178.5 | 42.4 | -34.6 | 0 | 0 | 0 | 113.7 | ||||
| 448 | P | 39.8 | Very low | 35.1 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | -136.8 | 134 | 119.2 | 35.5 | -25.1 | 0 | 0 | 0 | 114 | |||||
| 449 | G | 36.1 | Very low | 35.5 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -153.4 | 7.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 450 | S | 32.8 | Very low | 35.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 101.9 | 169.1 | -164.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 451 | K | 40 | Very low | 36.1 | Very low | 205 Ų | 205 | 128.5 Ų | 128.5 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | 171 | 79.1 | 119.8 | -90 | 166.5 | -175 | 176.5 | 0 | 114.9 | |||||
| 452 | G | 38.2 | Very low | 36.5 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 72.2 | 169.3 | 158 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 453 | S | 35.8 | Very low | 37.1 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -175.9 | 114.5 | -18.5 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 454 | V | 33.4 | Very low | 37.4 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 141.2 | 152 | 176.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 455 | T | 36.9 | Very low | 37.7 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | cis | -142.1 | 135.9 | 6.6 | -0.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 456 | L | 38.5 | Very low | 38.2 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | 40.4 | 108.5 | 85.8 | -77.9 | 173.9 | 0 | 0 | 0 | 116.5 | |||||
| 457 | S | 43.3 | Very low | 38.1 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -170.6 | -65.2 | 137.5 | -89.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 458 | D | 43.7 | Very low | 37.9 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -106.6 | -9.4 | -132.7 | -72.8 | -51.4 | 0 | 0 | 0 | 121.7 | ||
| 459 | L | 36.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | trans | -132.8 | 14.1 | -166.6 | -106.6 | 144 | 0 | 0 | 0 | 122.7 | G461 F462 | L459-G461 PolarHBondContact O-N 2.8Å; L459-F462 HydrophobicContact CD2-CB 4.29Å; L459-F462 HydrophobicContact CD2-CD2 3.73Å; L459-F462 HydrophobicContact CD2-CG 4.33Å | ||
| 460 | P | 37 | Very low | 38.2 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 23 | 161 | -20.6 | 34.1 | 0 | 0 | 0 | 115.7 | ||
| 461 | G | 41.3 | Very low | 38.8 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -1.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | L459 | L459-G461 PolarHBondContact O-N 2.8Š|
| 462 | F | 37.9 | Very low | 39.4 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.6 | 96.9 | 179.4 | -85.5 | -94.8 | 0 | 0 | 0 | 111.9 | L459 | L459-F462 HydrophobicContact CD2-CB 4.29Å; L459-F462 HydrophobicContact CD2-CD2 3.73Å; L459-F462 HydrophobicContact CD2-CG 4.33Å |
| 463 | L | 44.8 | Very low | 40.3 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | 49 | 89.8 | 161.1 | -56.5 | 99.8 | 0 | 0 | 0 | 116.2 | ||||
| 464 | G | 35.8 | Very low | 41.4 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | cis | 81.8 | 14.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 465 | D | 35.7 | Very low | 42.8 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -159.7 | 156.6 | 167.5 | -133.6 | -26.6 | 0 | 0 | 0 | 112.1 | ||||
| 466 | L | 40 | Very low | 44.1 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 46.5 | 99.2 | 165.3 | -51 | 176.8 | 0 | 0 | 0 | 117.1 | ||||
| 467 | A | 29.5 | Very low | 45.8 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 79% | 0.793 | 69% | 0.688 | S | S | * | * | cis | 62.5 | 80 | 20 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 468 | S | 38.6 | Very low | 47.1 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | trans | -167.4 | 141.3 | 147.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 469 | E | 41.3 | Very low | 48.4 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | trans | -26.1 | 117.2 | 167 | -55.9 | 175 | 159.4 | 0 | 0 | 117.7 | I473 | E469-I473 WeakPolarHBondContact O-CD1 3.27Š| ||
| 470 | E | 40.5 | Very low | 50.3 | Low | 127 Ų | 127 | 116 Ų | 116 | 59% | 0.593 | 65% | 0.652 | S | S | * | * | trans | -132 | -24.7 | 157.5 | -166.3 | 152.3 | -147.2 | 0 | 0 | 112.8 | S472 I473 E474 K477 | E470-S472 PolarHBondContact O-N 2.76Å; E470-S472 VanDerWaalsContact O-N 3.11Å; E470-I473 WeakPolarHBondContact O-CA 3.35Å; E470-I473 PolarHBondContact O-N 2.91Å; E470-E474 PolarHBondContact O-N 3.43Å; E470-K477 IonicContact OE1-NZ 2.79Å | ||
| 471 | D | 46.1 | Very low | 52 | Low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.6 | -20.4 | 175.2 | -163.9 | 39.7 | 0 | 0 | 0 | 114.4 | ||
| 472 | S | 52.9 | Low | 53.4 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -90.4 | -26.3 | 169.4 | -159 | 0 | 0 | 0 | 0 | 113.1 | E470 D476 | E470-S472 PolarHBondContact O-N 2.76Å; E470-S472 VanDerWaalsContact O-N 3.11Å; S472-D476 WeakPolarHBondContact O-CB 3.37Å; S472-D476 VanDerWaalsContact O-CG 3.24Å; S472-D476 PolarHBondContact O-N 3.23Å |
| 473 | I | 57.2 | Low | 55 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 41% | 0.41 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -82.8 | -35.8 | -176.7 | -57.4 | 178.5 | 0 | 0 | 0 | 110.5 | E469 E470 K477 | E469-I473 WeakPolarHBondContact O-CD1 3.27Å; E470-I473 WeakPolarHBondContact O-CA 3.35Å; E470-I473 PolarHBondContact O-N 2.91Å; I473-K477 HydrophobicContact CG2-CD 4.49Å; I473-K477 WeakPolarHBondContact O-CB 3.34Å; I473-K477 WeakPolarHBondContact O-CD 3.43Å; I473-K477 WeakPolarHBondContact O-CG 3.22Å; I473-K477 PolarHBondContact O-N 3.04Å |
| 474 | E | 58.7 | Low | 56.3 | Low | 133 Ų | 133 | 108.9 Ų | 108.9 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.7 | -40 | 171.1 | -171.1 | 152.3 | -130.7 | 0 | 0 | 111.5 | E470 K477 E478 | E470-E474 PolarHBondContact O-N 3.43Å; E474-K477 WeakPolarHBondContact O-CB 3.48Å; E474-K477 PolarHBondContact O-N 3.27Å; E474-E478 PolarHBondContact O-N 2.61Å |
| 475 | K | 62.1 | Low | 57.6 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 56% | 0.557 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.4 | -43.1 | 172.8 | -170.7 | 179.7 | 175.9 | -171.1 | 0 | 113.1 | K477 E478 E479 | K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.81Å; K475-E478 PolarHBondContact O-N 3.03Å; K475-E479 WeakPolarHBondContact O-CB 3.43Å; K475-E479 PolarHBondContact O-N 2.89Å |
| 476 | D | 65.8 | Low | 58.4 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.6 | -31.5 | 173.8 | -76.7 | -8.2 | 0 | 0 | 0 | 111.9 | S472 A480 | S472-D476 WeakPolarHBondContact O-CB 3.37Å; S472-D476 VanDerWaalsContact O-CG 3.24Å; S472-D476 PolarHBondContact O-N 3.23Å; D476-A480 WeakPolarHBondContact O-CB 3.16Å; D476-A480 PolarHBondContact O-N 3.46Å |
| 477 | K | 73.5 | Confident | 59.6 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.8 | -40.4 | 171.3 | -71.7 | 161.1 | -172.4 | 157 | 0 | 111.7 | E470 I473 E474 K475 A481 | E470-K477 IonicContact OE1-NZ 2.79Å; I473-K477 HydrophobicContact CG2-CD 4.49Å; I473-K477 WeakPolarHBondContact O-CB 3.34Å; I473-K477 WeakPolarHBondContact O-CD 3.43Å; I473-K477 WeakPolarHBondContact O-CG 3.22Å; I473-K477 PolarHBondContact O-N 3.04Å; E474-K477 WeakPolarHBondContact O-CB 3.48Å; E474-K477 PolarHBondContact O-N 3.27Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.81Å; K477-A481 WeakPolarHBondContact O-CB 3.48Å; K477-A481 PolarHBondContact O-N 2.91Å |
| 478 | E | 69.5 | Low | 61.3 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -46.1 | 176.6 | -169.7 | 178.1 | -154.4 | 0 | 0 | 111.3 | E474 K475 A480 A481 I482 | E474-E478 PolarHBondContact O-N 2.61Å; K475-E478 PolarHBondContact O-N 3.03Å; E478-A480 VanDerWaalsContact C-N 3.31Å; E478-A480 PolarHBondContact O-N 2.86Å; E478-A481 WeakPolarHBondContact O-CB 3.49Å; E478-A481 PolarHBondContact O-N 3.44Å; E478-A481 VanDerWaalsContact O-N 3.07Å; E478-I482 HydrophobicContact CG-CD1 4.13Å; E478-I482 WeakPolarHBondContact O-CG1 3.45Å; E478-I482 PolarHBondContact O-N 3Å |
| 479 | E | 71.6 | Confident | 62.1 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.2 | -32.4 | 175.8 | -166.8 | 163.1 | 169.6 | 0 | 0 | 111.6 | K475 S483 | K475-E479 WeakPolarHBondContact O-CB 3.43Å; K475-E479 PolarHBondContact O-N 2.89Å; E479-S483 VanDerWaalsContact O-CB 3.23Å; E479-S483 WeakPolarHBondContact O-CB 3.49Å; E479-S483 PolarHBondContact O-N 3.12Å; E479-S483 PolarHBondContact O-OG 2.81Å |
| 480 | A | 75.8 | Confident | 62.5 | Low | 37 Ų | 37 | 107.9 Ų | 107.9 | 31% | 0.306 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -30.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D476 E478 R484 | D476-A480 WeakPolarHBondContact O-CB 3.16Å; D476-A480 PolarHBondContact O-N 3.46Å; E478-A480 VanDerWaalsContact C-N 3.31Å; E478-A480 PolarHBondContact O-N 2.86Å; A480-R484 WeakPolarHBondContact O-CG 3.31Å; A480-R484 PolarHBondContact O-N 3.27Å |
| 481 | A | 73.9 | Confident | 62.7 | Low | 46 Ų | 46 | 107.3 Ų | 107.3 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -47.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K477 E478 S483 R484 E485 | K477-A481 WeakPolarHBondContact O-CB 3.48Å; K477-A481 PolarHBondContact O-N 2.91Å; E478-A481 WeakPolarHBondContact O-CB 3.49Å; E478-A481 PolarHBondContact O-N 3.44Å; E478-A481 VanDerWaalsContact O-N 3.07Å; A481-S483 VanDerWaalsContact C-N 3.27Å; A481-S483 PolarHBondContact O-N 2.98Å; A481-R484 PolarHBondContact O-N 3.43Å; A481-E485 PolarHBondContact O-N 3.12Å |
| 482 | I | 69.8 | Low | 62.4 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56.3 | -43.3 | 171.5 | -67.4 | 164.5 | 0 | 0 | 0 | 110.1 | E478 R484 E485 L486 | E478-I482 HydrophobicContact CG-CD1 4.13Å; E478-I482 WeakPolarHBondContact O-CG1 3.45Å; E478-I482 PolarHBondContact O-N 3Å; I482-R484 VanDerWaalsContact C-N 3.31Å; I482-R484 PolarHBondContact O-N 2.96Å; I482-E485 PolarHBondContact O-N 3.14Å; I482-L486 HydrophobicContact CG2-CD1 3.77Å; I482-L486 HydrophobicContact CG2-CG 4.35Å; I482-L486 VanDerWaalsContact O-CB 3.32Å; I482-L486 WeakPolarHBondContact O-CB 3.27Å; I482-L486 WeakPolarHBondContact O-CG 3.44Å; I482-L486 PolarHBondContact O-N 2.95Å |
| 483 | S | 71 | Confident | 61.7 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 47% | 0.469 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -32.5 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | E479 A481 S487 | E479-S483 VanDerWaalsContact O-CB 3.23Å; E479-S483 WeakPolarHBondContact O-CB 3.49Å; E479-S483 PolarHBondContact O-N 3.12Å; E479-S483 PolarHBondContact O-OG 2.81Å; A481-S483 VanDerWaalsContact C-N 3.27Å; A481-S483 PolarHBondContact O-N 2.98Å; S483-S487 WeakPolarHBondContact O-CB 3.3Å; S483-S487 PolarHBondContact O-N 3.3Å |
| 484 | R | 74 | Confident | 60.7 | Low | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73 | -49.6 | 174.7 | -75.5 | 180 | -158.6 | 141 | 9.2 | 112 | A480 A481 I482 L486 S487 E488 | A480-R484 WeakPolarHBondContact O-CG 3.31Å; A480-R484 PolarHBondContact O-N 3.27Å; A481-R484 PolarHBondContact O-N 3.43Å; I482-R484 VanDerWaalsContact C-N 3.31Å; I482-R484 PolarHBondContact O-N 2.96Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.91Å; R484-S487 WeakPolarHBondContact CA-OG 3.46Å; R484-S487 WeakPolarHBondContact O-CA 3.17Å; R484-S487 WeakPolarHBondContact O-CB 3.35Å; R484-S487 PolarHBondContact O-N 3.27Å; R484-S487 PolarHBondContact O-OG 3.49Å; R484-E488 PolarHBondContact O-N 2.82Å |
| 485 | E | 62.2 | Low | 59.6 | Low | 137 Ų | 137 | 111.7 Ų | 111.7 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.8 | -39.6 | 177.1 | -68.9 | -162.7 | 146.6 | 0 | 0 | 111.5 | A481 I482 S487 E488 I489 | A481-E485 PolarHBondContact O-N 3.12Å; I482-E485 PolarHBondContact O-N 3.14Å; E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 3.3Å; E485-E488 PolarHBondContact O-N 3.02Å; E485-I489 WeakPolarHBondContact O-CG1 3.35Å; E485-I489 PolarHBondContact O-N 2.86Å |
| 486 | L | 52.3 | Low | 58.5 | Low | 104 Ų | 104 | 110.2 Ų | 110.2 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.4 | -34.4 | 172.4 | -70.2 | 173.2 | 0 | 0 | 0 | 112.7 | I482 R484 T490 | I482-L486 HydrophobicContact CG2-CD1 3.77Å; I482-L486 HydrophobicContact CG2-CG 4.35Å; I482-L486 VanDerWaalsContact O-CB 3.32Å; I482-L486 WeakPolarHBondContact O-CB 3.27Å; I482-L486 WeakPolarHBondContact O-CG 3.44Å; I482-L486 PolarHBondContact O-N 2.95Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.91Å; L486-T490 VanDerWaalsContact O-CB 3.26Å; L486-T490 WeakPolarHBondContact O-CB 3.38Å; L486-T490 PolarHBondContact O-N 3.04Å; L486-T490 PolarHBondContact O-OG1 3.17Å |
| 487 | S | 66.2 | Low | 57.1 | Low | 61 Ų | 61 | 111.4 Ų | 111.4 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71 | -35.3 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | S483 R484 E485 I489 T490 T491 | S483-S487 WeakPolarHBondContact O-CB 3.3Å; S483-S487 PolarHBondContact O-N 3.3Å; R484-S487 WeakPolarHBondContact CA-OG 3.46Å; R484-S487 WeakPolarHBondContact O-CA 3.17Å; R484-S487 WeakPolarHBondContact O-CB 3.35Å; R484-S487 PolarHBondContact O-N 3.27Å; R484-S487 PolarHBondContact O-OG 3.49Å; E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 3.3Å; S487-I489 VanDerWaalsContact C-N 3.34Å; S487-T490 PolarHBondContact O-N 3.43Å; S487-T491 PolarHBondContact O-OG1 3.18Å |
| 488 | E | 63.5 | Low | 55.5 | Low | 164 Ų | 164 | 111.8 Ų | 111.8 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.8 | -25.2 | 179.1 | -69.9 | -174.3 | 175.3 | 0 | 0 | 112.7 | R484 E485 | R484-E488 PolarHBondContact O-N 2.82Å; E485-E488 PolarHBondContact O-N 3.02Å |
| 489 | I | 55.9 | Low | 54.2 | Low | 142 Ų | 142 | 110.7 Ų | 110.7 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -88.4 | -17.4 | 177.7 | -62 | 167.6 | 0 | 0 | 0 | 112.4 | E485 S487 | E485-I489 WeakPolarHBondContact O-CG1 3.35Å; E485-I489 PolarHBondContact O-N 2.86Å; S487-I489 VanDerWaalsContact C-N 3.34Å |
| 490 | T | 50.2 | Low | 52.5 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -103.5 | -2.6 | -169.1 | -52.7 | 0 | 0 | 0 | 0 | 114.7 | L486 S487 | L486-T490 VanDerWaalsContact O-CB 3.26Å; L486-T490 WeakPolarHBondContact O-CB 3.38Å; L486-T490 PolarHBondContact O-N 3.04Å; L486-T490 PolarHBondContact O-OG1 3.17Å; S487-T490 PolarHBondContact O-N 3.43Å |
| 491 | T | 43.7 | Very low | 50.5 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -123 | 53.8 | -162 | -36.7 | 0 | 0 | 0 | 0 | 116.1 | S487 | S487-T491 PolarHBondContact O-OG1 3.18Š| ||
| 492 | A | 39.6 | Very low | 48.6 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 167.5 | 123.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 493 | E | 39.9 | Very low | 46.9 | Very low | 185 Ų | 185 | 126.4 Ų | 126.4 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | cis | -147.2 | 153.9 | -17.1 | -76.6 | -162.3 | 132.3 | 0 | 0 | 109.1 | ||||
| 494 | A | 36 | Very low | 45.2 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 38 | 141.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 495 | E | 35.9 | Very low | 43.4 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | cis | -162 | 168.7 | -10.3 | -108.5 | -120.6 | 114 | 0 | 0 | 108.6 | Q413 | Q413-E495 PolarHBondContact NE2-OE2 2.81Š| ||
| 496 | P | 38.2 | Very low | 42.2 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | trans | -127.4 | -149.6 | -145.7 | 42.7 | -28.2 | 0 | 0 | 0 | 117.1 | ||||
| 497 | V | 37.1 | Very low | 41.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | 98.3 | 114.2 | 166.4 | -169.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 498 | V | 38.8 | Very low | 40 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | cis | 91.3 | 139.8 | 11 | -173.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 499 | P | 41.6 | Very low | 38.5 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | cis | -148.4 | -165.5 | -31.7 | 45.9 | -27.2 | 0 | 0 | 0 | 117.4 | ||||
| 500 | R | 37.9 | Very low | 37.4 | Very low | 246 Ų | 246 | 133 Ų | 133 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | trans | 83 | 130.4 | 142.4 | -84.1 | -177 | 179.7 | -130.4 | -0 | 123.9 | ||||
| 501 | G | 33.8 | Very low | 36.4 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | trans | 119 | 120.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 502 | G | 34 | Very low | 36 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | cis | 178.3 | 166.7 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 503 | F | 33.7 | Very low | 35.8 | Very low | 220 Ų | 220 | 136.6 Ų | 136.6 | 97% | 0.965 | 75% | 0.753 | S | S | * | * | trans | 65.1 | 112.1 | 174.5 | -59.3 | -83.1 | 0 | 0 | 0 | 119.6 | ||||
| 504 | D | 34.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -155.5 | 148.5 | 149.7 | -160.9 | 7.3 | 0 | 0 | 0 | 112 | ||||
| 505 | S | 36.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 171.9 | 143.6 | 175.5 | -163.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 506 | P | 37.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 62% | 0.623 | 75% | 0.752 | S | S | * | * | cis | -144.5 | 129.8 | 32.4 | 37.2 | -15.4 | 0 | 0 | 0 | 117.6 | ||||
| 507 | F | 36.1 | Very low | 35 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | -138.4 | 106.8 | 152.2 | -78.9 | -73.7 | 0 | 0 | 0 | 110.7 | L319 | L319-F507 HydrophobicContact CD1-CD2 4.38Š| ||
| 508 | Y | 35.2 | Very low | 34.8 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -64.4 | 154.1 | 164.9 | -107.6 | -146.6 | 0 | 0 | 0 | 110 | ||||
| 509 | R | 33.2 | Very low | 34.5 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | cis | -167.1 | 165.1 | -1.2 | -137.6 | -169.7 | -167.2 | -127.3 | 13 | 109.6 | ||||
| 510 | D | 31.4 | Very low | 34.3 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | 47.8 | 146.9 | 146.4 | -66.2 | 0.9 | 0 | 0 | 0 | 121.6 | ||||
| 511 | S | 30.8 | Very low | 34 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | -171.9 | 152.8 | -9.1 | -97 | 0 | 0 | 0 | 0 | 109 | ||||
| 512 | L | 34.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | 175.1 | 130.6 | 150.1 | -101 | 157.5 | 0 | 0 | 0 | 112.4 | ||||
| 513 | P | 35.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -124.8 | 155.1 | 179.7 | 40.4 | -29.3 | 0 | 0 | 0 | 117.2 | ||||
| 514 | G | 33.3 | Very low | 34.3 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 80.5 | 168.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 515 | S | 33.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -170.9 | 166.6 | -23.9 | -167 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 516 | Q | 32.6 | Very low | 34.2 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 103.2 | 146.7 | 153.4 | -71.5 | -143.9 | -14.6 | 0 | 0 | 124.6 | ||||
| 517 | R | 33.5 | Very low | 34.2 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 100.7 | 139.3 | 145.6 | -83.8 | 161.9 | -157.1 | -154.5 | 2.3 | 121.8 | ||||
| 518 | K | 34.2 | Very low | 34.1 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -163.8 | 158.8 | -179.9 | -170 | 178.3 | -179.1 | -175.2 | 0 | 107.4 | ||||
| 519 | T | 31.5 | Very low | 34.1 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -151.2 | 141.2 | -168.2 | 4.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 520 | H | 37 | Very low | 34.1 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 65.3 | 155.5 | 159.9 | -55 | -53.8 | 0 | 0 | 0 | 118.3 | ||||
| 521 | S | 32.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | cis | -161.1 | 170 | 1 | -132.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 522 | A | 34.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 68.5 | 152.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 523 | A | 35.2 | Very low | 34.6 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | cis | -170.4 | 155.3 | -22.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 524 | S | 36.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 128 Ų | 128 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | 164.5 | 166.8 | 128.2 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 525 | S | 32.6 | Very low | 34.9 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -104.7 | 161.4 | -162.8 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 526 | S | 36.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | -178.1 | 148.2 | 83.5 | 50.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 527 | Q | 38 | Very low | 34.9 | Very low | 199 Ų | 199 | 130.3 Ų | 130.3 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 130.6 | 150.3 | -66.3 | 178.7 | 3.4 | 0 | 0 | 123.6 | ||||
| 528 | G | 34.4 | Very low | 34.9 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 161.8 | 58.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 529 | A | 34.4 | Very low | 35 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 13.6 | 111 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 530 | S | 33.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 62.6 | 134 | 93 | 74.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 531 | V | 36 | Very low | 35.4 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | cis | -153.1 | 155.9 | 45.5 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 532 | N | 33.2 | Very low | 35.6 | Very low | 107 Ų | 107 | 119 Ų | 119 | 57% | 0.572 | 74% | 0.738 | S | S | * | * | trans | -115.7 | 153.8 | 175.5 | -165.5 | 22.8 | 0 | 0 | 0 | 109.7 | E534 | N532-E534 PolarHBondContact ND2-OE2 3.12Å; N532-E534 PolarHBondContact OD1-N 3.42Å | ||
| 533 | P | 38.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | -154.1 | 129.9 | 80.6 | 38.4 | -16.6 | 0 | 0 | 0 | 118.7 | |||||
| 534 | E | 34.2 | Very low | 35.6 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | 20.4 | 166.5 | 102.4 | -87.9 | -169.1 | 110 | 0 | 0 | 123.4 | N532 | N532-E534 PolarHBondContact ND2-OE2 3.12Å; N532-E534 PolarHBondContact OD1-N 3.42Å | |||
| 535 | P | 40.4 | Very low | 35.8 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | -147.2 | -150.1 | -56.3 | 37.9 | -13 | 0 | 0 | 0 | 114.5 | |||||
| 536 | L | 30.7 | Very low | 36 | Very low | 134 Ų | 134 | 117 Ų | 117 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | trans | 81.1 | 144.3 | 163.6 | -51.3 | -168.8 | 0 | 0 | 0 | 119.5 | ||||
| 537 | H | 34.6 | Very low | 35.9 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | cis | 103.5 | 135.5 | 21.6 | -90.4 | -86.3 | 0 | 0 | 0 | 116.2 | ||||
| 538 | S | 33.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | 158.3 | 170.3 | 167.2 | 44.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 539 | S | 36.4 | Very low | 35.6 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | cis | -171.1 | -174.7 | -25.6 | 59.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 540 | L | 39.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | cis | -160.5 | 154.2 | -8.7 | -148.2 | 70.2 | 0 | 0 | 0 | 103.5 | K542 | L540-K542 HydrophobicContact CD2-CD 4.28Å; L540-K542 HydrophobicContact CD2-CG 4.49Å | ||
| 541 | D | 37.2 | Very low | 35.2 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | cis | 78.6 | 141.4 | 23.8 | -166.2 | 45.1 | 0 | 0 | 0 | 117.7 | ||||
| 542 | K | 37.1 | Very low | 34.8 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 53% | 0.526 | 70% | 0.698 | S | S | . | * | trans | 168.1 | 129.5 | 163 | -95.6 | 158.7 | -174.3 | -175.8 | 0 | 111.5 | L540 I1153 | L540-K542 HydrophobicContact CD2-CD 4.28Å; L540-K542 HydrophobicContact CD2-CG 4.49Å; K542-I1153 HydrophobicContact CD-CG1 4.49Å | ||
| 543 | L | 35.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 60% | 0.602 | 71% | 0.709 | S | S | * | * | 64.5 | 140.6 | 62.6 | -99.1 | 70.9 | 0 | 0 | 0 | 114.8 | |||||
| 544 | G | 34.1 | Very low | 34.8 | Very low | 40 Ų | 40 | 127.1 Ų | 127.1 | 41% | 0.412 | 71% | 0.707 | S | S | . | * | cis | 161.4 | -170.6 | 6.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | L1151 H1152 | G544-L1151 CarbonylContact O-C 3.52Å; G544-L1151 VanDerWaalsContact O-C 3.3Å; G544-H1152 PolarHBondContact O-N 3.18Å; G544-H1152 VanDerWaalsContact O-N 3.1Å | ||
| 545 | P | 41 | Very low | 34.8 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | cis | -143 | -174.9 | -19.3 | 43.1 | -22.6 | 0 | 0 | 0 | 116.1 | ||||
| 546 | D | 37 | Very low | 34.7 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | 52.2 | 104.5 | 146.9 | -61.8 | -7.8 | 0 | 0 | 0 | 127.7 | ||||
| 547 | T | 34.5 | Very low | 34.9 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | 18.2 | 145.7 | 129.7 | 84.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 548 | P | 34.5 | Very low | 35.1 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | -150.9 | 151.1 | 76.8 | 39.8 | -21 | 0 | 0 | 0 | 119.4 | |||||
| 549 | K | 31.9 | Very low | 35.1 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | 53.9 | 133.8 | 145.7 | -69.7 | 177.8 | 179.4 | 172.7 | 0 | 123.2 | ||||
| 550 | Q | 31.8 | Very low | 35.1 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | 83.4 | 114.5 | 148.1 | -77.7 | -177.9 | -34.3 | 0 | 0 | 121.9 | ||||
| 551 | A | 26.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | 81.2 | 163 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 552 | F | 27.6 | Very low | 34.9 | Very low | 202 Ų | 202 | 124.2 Ų | 124.2 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | trans | 76.7 | 107.3 | 174.7 | -63.8 | -79.5 | 0 | 0 | 0 | 119.9 | ||||
| 553 | T | 34.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -97.6 | -172 | 150 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 554 | P | 37 | Very low | 34.9 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -124.7 | -178.6 | -70.6 | 39.4 | -24.5 | 0 | 0 | 0 | 112.2 | |||||
| 555 | I | 35.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | trans | -139.9 | 109.3 | 170.5 | -65.8 | -177.7 | 0 | 0 | 0 | 106.4 | ||||
| 556 | D | 37.4 | Very low | 34.7 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 77 | 155.5 | 84.3 | -96.8 | -37.5 | 0 | 0 | 0 | 113.9 | |||||
| 557 | L | 35 | Very low | 34.7 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | cis | -158.8 | -169.8 | 27.9 | -149.2 | 71.6 | 0 | 0 | 0 | 107.4 | ||||
| 558 | P | 38.3 | Very low | 34.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -128.8 | 171.8 | -21.4 | 13.1 | 13 | 0 | 0 | 0 | 117.2 | ||||
| 559 | C | 34.7 | Very low | 34.7 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | 72.3 | 133.6 | 151.9 | -76 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 560 | G | 35.4 | Very low | 34.9 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 169.1 | 164.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 561 | S | 35.2 | Very low | 35 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 59.5 | 118.3 | 175.1 | 44.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 562 | A | 37.1 | Very low | 35.1 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | 81.3 | 143.3 | 69.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 563 | D | 37.6 | Very low | 35.3 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | cis | -152.2 | -173.6 | 20.2 | -130.2 | -23.7 | 0 | 0 | 0 | 115.7 | ||||
| 564 | E | 36.2 | Very low | 35.2 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 150 | -169.2 | -80.1 | -160.9 | 73.5 | 0 | 0 | 124 | ||||
| 565 | S | 31.4 | Very low | 35 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 71.4 | 158.9 | 127 | -60.4 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 566 | P | 39.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -128.2 | 162.4 | -161.9 | 42.2 | -26.6 | 0 | 0 | 0 | 117.7 | ||||
| 567 | A | 36.5 | Very low | 34.8 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -165.7 | 152.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 568 | G | 36 | Very low | 34.6 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 82.8 | 105.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 569 | D | 33.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | cis | 104.6 | 136.2 | 28.7 | -167.8 | 28.1 | 0 | 0 | 0 | 113.2 | ||||
| 570 | R | 36.4 | Very low | 34 | Very low | 199 Ų | 199 | 126.8 Ų | 126.8 | 75% | 0.751 | 76% | 0.756 | S | S | * | * | trans | 65.7 | 139.5 | -171.4 | -60.2 | -177.6 | 177.8 | -133.4 | 5.8 | 117.2 | ||||
| 571 | E | 34.6 | Very low | 33.7 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -150.1 | 165.5 | -8.1 | -130.1 | 162.5 | 132.9 | 0 | 0 | 110.9 | ||||
| 572 | C | 28.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -45 | 156.4 | -171.3 | -63 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 573 | Q | 31.4 | Very low | 33.4 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -167.1 | 142.1 | -8.3 | -112.1 | 164.4 | -5 | 0 | 0 | 110.1 | ||||
| 574 | T | 32.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | 48.3 | 131.3 | 158.5 | 54.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 575 | S | 32.6 | Very low | 32.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | cis | -173.2 | 134.4 | -8.7 | 44.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 576 | L | 33.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | 76.5 | 120.6 | 151.9 | -65.4 | 164.3 | 0 | 0 | 0 | 123.8 | ||||
| 577 | E | 34.6 | Very low | 33 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 65.5 | 151.4 | 148.4 | -59 | -157.9 | 63.8 | 0 | 0 | 122.6 | ||||
| 578 | T | 32 | Very low | 33 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | 100.1 | 141.9 | 9.8 | 62.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 579 | S | 28.8 | Very low | 33 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -161.2 | 135.1 | -3.7 | 146.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 580 | I | 31.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | 42.8 | 123.9 | 142.8 | -38.9 | 166.3 | 0 | 0 | 0 | 122.3 | ||||
| 581 | F | 29.6 | Very low | 33.4 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | 169.7 | 162.1 | 117.4 | -94 | -65.9 | 0 | 0 | 0 | 116.1 | |||||
| 582 | T | 27.6 | Very low | 33.2 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -148 | -172.1 | -177.4 | 62 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 583 | P | 36.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -140.2 | -162.4 | 2.2 | 42.6 | -21.1 | 0 | 0 | 0 | 116.1 | ||||
| 584 | S | 27.6 | Very low | 33.9 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 47% | 0.469 | 76% | 0.759 | S | S | . | * | trans | -124.2 | 169.8 | 161.4 | -125.4 | 0 | 0 | 0 | 0 | 110.3 | W347 | W347-S584 PolarHBondContact NE1-OG 3.44Š| ||
| 585 | P | 37.1 | Very low | 33.7 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.8 | 160.9 | -153.7 | 33.6 | -37.6 | 0 | 0 | 0 | 118.4 | ||
| 586 | C | 35.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 86% | 0.858 | 76% | 0.761 | S | S | * | * | trans | 66.6 | 89.5 | 154.7 | -66.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 587 | K | 35.4 | Very low | 33.7 | Very low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 144.1 | 163.4 | -59.2 | 167.5 | -179.6 | 173.5 | 0 | 111.8 | ||
| 588 | I | 37.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 133 | 150.3 | -60.8 | 176.2 | 0 | 0 | 0 | 107 | ||
| 589 | P | 35.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.2 | -179.1 | -19.3 | 32.5 | 0 | 0 | 0 | 112.3 | ||
| 590 | P | 38.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78 | 146.4 | 177.4 | 31.6 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 591 | P | 40.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 140.3 | 171.6 | 30.1 | -34.3 | 0 | 0 | 0 | 111 | R593 | P591-R593 PolarHBondContact O-N 3.09Å; P591-R593 VanDerWaalsContact O-N 3.13Å |
| 592 | T | 29.8 | Very low | 37 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -63.2 | 111.4 | -177.3 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | V594 | T592-V594 HydrophobicContact CG2-CG2 4.27Š| ||
| 593 | R | 38.2 | Very low | 38.5 | Very low | 241 Ų | 241 | 123.6 Ų | 123.6 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -115.9 | 124.4 | 160.3 | 178.8 | 171.1 | -86.8 | -153.1 | -4.9 | 109 | P591 | P591-R593 PolarHBondContact O-N 3.09Å; P591-R593 VanDerWaalsContact O-N 3.13Å | ||
| 594 | V | 35.1 | Very low | 39.9 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -87.4 | 139 | -173 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | T592 | T592-V594 HydrophobicContact CG2-CG2 4.27Š| ||
| 595 | G | 29.6 | Very low | 41.5 | Very low | 58 Ų | 58 | 121.8 Ų | 121.8 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | trans | 125.5 | 116.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 596 | F | 32.6 | Very low | 42.8 | Very low | 220 Ų | 220 | 121.8 Ų | 121.8 | 97% | 0.965 | 70% | 0.701 | S | S | * | * | trans | 56.5 | 116.9 | 161.4 | -67 | -88.1 | 0 | 0 | 0 | 119.9 | ||||
| 597 | G | 33.2 | Very low | 44.1 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | 112.6 | 23.6 | 120 | 0 | 0 | 0 | 0 | 0 | 120.6 | G599 | G597-G599 PolarHBondContact O-N 3.46Š| |||
| 598 | S | 29.1 | Very low | 45.6 | Very low | 134 Ų | 134 | 113.4 Ų | 113.4 | 94% | 0.937 | 66% | 0.655 | S | S | * | * | trans | 28.2 | 86.2 | 155.6 | -178.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 599 | G | 41.7 | Very low | 46.6 | Very low | 69 Ų | 69 | 111.6 Ų | 111.6 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | trans | -137.6 | 132.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G597 | G597-G599 PolarHBondContact O-N 3.46Š| ||
| 600 | Q | 44.9 | Very low | 47.7 | Very low | 191 Ų | 191 | 112.6 Ų | 112.6 | 89% | 0.893 | 65% | 0.646 | S | S | * | * | trans | -70 | 143.1 | 164.4 | -83.5 | -168.5 | -81.3 | 0 | 0 | 109.5 | ||||
| 601 | P | 52.6 | Low | 48.8 | Very low | 64 Ų | 64 | 110.7 Ų | 110.7 | 42% | 0.416 | 64% | 0.641 | S | S | . | * | trans | -63 | 146.3 | 163.6 | 29.7 | -33.9 | 0 | 0 | 0 | 109.5 | D605 | P601-D605 HydrophobicContact CB-CB 4.25Š| ||
| 602 | P | 56.9 | Low | 49.9 | Very low | 40 Ų | 40 | 107.7 Ų | 107.7 | 26% | 0.26 | 62% | 0.618 | S | S | . | * | trans | -45.3 | 144.2 | 168.7 | -26 | 27.4 | 0 | 0 | 0 | 112.7 | Y604 D605 T624 | P602-Y604 PolarHBondContact O-N 2.9Å; P602-D605 WeakPolarHBondContact CD-OD2 3.47Å; P602-D605 PolarHBondContact O-N 2.88Å; P602-T624 HydrophobicContact CB-CG2 4.41Å; P602-T624 HydrophobicContact CG-CG2 3.57Å | ||
| 603 | P | 59.2 | Low | 51.7 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -5.5 | -172.4 | 26.4 | -36 | 0 | 0 | 0 | 114.9 | ||
| 604 | Y | 65.6 | Low | 53.1 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 46% | 0.459 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.3 | -6.3 | 179.4 | -52.7 | -59.7 | 0 | 0 | 0 | 113.8 | P602 H606 L607 P645 | P602-Y604 PolarHBondContact O-N 2.9Å; Y604-H606 VanDerWaalsContact C-N 3.27Å; Y604-H606 PolarHBondContact O-N 2.96Å; Y604-L607 HydrophobicContact CD1-CD1 4.02Å; Y604-L607 VanDerWaalsContact O-CB 3.27Å; Y604-L607 WeakPolarHBondContact O-CB 3.47Å; Y604-L607 PolarHBondContact O-N 3.25Å; Y604-P645 HydrophobicContact CE1-CG 4.25Å; Y604-P645 HydrophobicContact CE2-CG 4.32Å |
| 605 | D | 62.1 | Low | 54.7 | Low | 14 Ų | 14 | 101.1 Ų | 101.1 | 8% | 0.075 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -62 | -35.9 | -176 | -83.2 | 14.6 | 0 | 0 | 0 | 112.2 | P601 P602 L607 F608 E609 | P601-D605 HydrophobicContact CB-CB 4.25Å; P602-D605 WeakPolarHBondContact CD-OD2 3.47Å; P602-D605 PolarHBondContact O-N 2.88Å; D605-L607 PolarHBondContact O-N 3.21Å; D605-L607 VanDerWaalsContact O-N 3.14Å; D605-F608 PolarHBondContact O-N 3.22Å; D605-E609 PolarHBondContact O-N 2.9Å; D605-E609 VanDerWaalsContact O-N 3.12Å |
| 606 | H | 65 | Low | 56.5 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -21.2 | 173.6 | -57.2 | -53.3 | 0 | 0 | 0 | 114.1 | Y604 E609 | Y604-H606 VanDerWaalsContact C-N 3.27Å; Y604-H606 PolarHBondContact O-N 2.96Å; H606-E609 IonicContact ND1-OE2 3.07Å |
| 607 | L | 62.5 | Low | 58.1 | Low | 117 Ų | 117 | 90.5 Ų | 90.5 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.2 | -33.3 | 173.7 | -54.8 | 177.6 | 0 | 0 | 0 | 111.2 | Y604 D605 A611 | Y604-L607 HydrophobicContact CD1-CD1 4.02Å; Y604-L607 VanDerWaalsContact O-CB 3.27Å; Y604-L607 WeakPolarHBondContact O-CB 3.47Å; Y604-L607 PolarHBondContact O-N 3.25Å; D605-L607 PolarHBondContact O-N 3.21Å; D605-L607 VanDerWaalsContact O-N 3.14Å; L607-A611 VanDerWaalsContact O-CB 3.24Å; L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 2.83Å |
| 608 | F | 66.2 | Low | 59.8 | Low | 39 Ų | 39 | 93.3 Ų | 93.3 | 17% | 0.171 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -78.3 | -28.9 | 177.7 | -62.5 | -63 | 0 | 0 | 0 | 112.7 | D605 V610 A611 L612 V620 L652 | D605-F608 PolarHBondContact O-N 3.22Å; F608-V610 PolarHBondContact O-N 3.11Å; F608-A611 PolarHBondContact O-N 3.15Å; F608-L612 HydrophobicContact CB-CD1 4.15Å; F608-L612 HydrophobicContact CD1-CD1 3.88Å; F608-L612 HydrophobicContact CD1-CG 4.45Å; F608-L612 HydrophobicContact CG-CD1 4.37Å; F608-L612 WeakPolarHBondContact O-CB 3.37Å; F608-L612 PolarHBondContact O-N 3.04Å; F608-V620 HydrophobicContact CB-CG1 4.44Å; F608-V620 HydrophobicContact CD2-CG1 3.78Å; F608-V620 HydrophobicContact CE2-CG1 4.15Å; F608-V620 HydrophobicContact CG-CG1 4.02Å; F608-L652 HydrophobicContact CE1-CD1 4.24Å; F608-L652 HydrophobicContact CE2-CD1 4.39Å; F608-L652 HydrophobicContact CZ-CD1 3.8Å |
| 609 | E | 59.1 | Low | 61.9 | Low | 119 Ų | 119 | 90.6 Ų | 90.6 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60 | -29.8 | 177.2 | -168.6 | 165.2 | -150.9 | 0 | 0 | 113.2 | D605 H606 | D605-E609 PolarHBondContact O-N 2.9Å; D605-E609 VanDerWaalsContact O-N 3.12Å; H606-E609 IonicContact ND1-OE2 3.07Å |
| 610 | V | 59.9 | Low | 63.3 | Low | 135 Ų | 135 | 87.8 Ų | 87.8 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -95.1 | -32.5 | 176 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | F608 | F608-V610 PolarHBondContact O-N 3.11Å |
| 611 | A | 61.1 | Low | 64.6 | Low | 76 Ų | 76 | 80.9 Ų | 80.9 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -88.1 | -16.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L607 F608 | L607-A611 VanDerWaalsContact O-CB 3.24Å; L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 2.83Å; F608-A611 PolarHBondContact O-N 3.15Å |
| 612 | L | 63.3 | Low | 65.8 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -123.6 | 145.4 | -173.5 | -66.4 | 179.5 | 0 | 0 | 0 | 112.9 | F608 A616 V620 | F608-L612 HydrophobicContact CB-CD1 4.15Å; F608-L612 HydrophobicContact CD1-CD1 3.88Å; F608-L612 HydrophobicContact CD1-CG 4.45Å; F608-L612 HydrophobicContact CG-CD1 4.37Å; F608-L612 WeakPolarHBondContact O-CB 3.37Å; F608-L612 PolarHBondContact O-N 3.04Å; L612-A616 HydrophobicContact CB-CB 4.02Å; L612-A616 HydrophobicContact CD1-CB 4.3Å; L612-A616 HydrophobicContact CD2-CB 4.45Å; L612-V620 HydrophobicContact CD1-CB 4.5Å; L612-V620 HydrophobicContact CD1-CG2 3.62Å |
| 613 | P | 68.4 | Low | 66.5 | Low | 88 Ų | 88 | 86.4 Ų | 86.4 | 57% | 0.571 | 45% | 0.446 | S | S | * | . | trans | -53 | 145.5 | 165.9 | -25.1 | 34.4 | 0 | 0 | 0 | 111.3 | T615 A616 H617 | P613-T615 PolarHBondContact O-N 2.85Å; P613-A616 CarbonylContact O-C 3.45Å; P613-A616 WeakPolarHBondContact O-CA 3.49Å; P613-A616 WeakPolarHBondContact O-CB 3.42Å; P613-A616 PolarHBondContact O-N 3.28Å; P613-H617 PolarHBondContact O-N 3.49Å | ||
| 614 | K | 66.9 | Low | 67.1 | Low | 177 Ų | 177 | 82.6 Ų | 82.6 | 77% | 0.77 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -51.9 | -32.8 | -173.3 | -63.1 | -175.9 | 179.1 | -177.3 | 0 | 114.3 | H618 | K614-H618 PolarHBondContact O-CD2 2.87Å; K614-H618 PolarHBondContact O-N 2.82Å |
| 615 | T | 69.2 | Low | 67.4 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 69% | 0.693 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66 | -44 | 173.7 | 43.7 | 0 | 0 | 0 | 0 | 112.9 | P613 H618 F619 | P613-T615 PolarHBondContact O-N 2.85Å; T615-H618 PolarHBondContact O-N 3.23Å; T615-F619 PolarHBondContact O-N 3.49Å |
| 616 | A | 67.7 | Low | 68 | Low | 31 Ų | 31 | 84.2 Ų | 84.2 | 26% | 0.256 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.2 | -35.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L612 P613 F619 V620 | L612-A616 HydrophobicContact CB-CB 4.02Å; L612-A616 HydrophobicContact CD1-CB 4.3Å; L612-A616 HydrophobicContact CD2-CB 4.45Å; P613-A616 CarbonylContact O-C 3.45Å; P613-A616 WeakPolarHBondContact O-CA 3.49Å; P613-A616 WeakPolarHBondContact O-CB 3.42Å; P613-A616 PolarHBondContact O-N 3.28Å; A616-F619 WeakPolarHBondContact O-CB 3.46Å; A616-F619 PolarHBondContact O-N 3.4Å; A616-V620 WeakPolarHBondContact O-CG2 3.46Å; A616-V620 PolarHBondContact O-N 2.85Å |
| 617 | H | 64.9 | Low | 68 | Low | 24 Ų | 24 | 82.4 Ų | 82.4 | 11% | 0.111 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 169.4 | 179.8 | -122.9 | 0 | 0 | 0 | 111.7 | P613 F619 V620 I621 | P613-H617 PolarHBondContact O-N 3.49Å; H617-F619 VanDerWaalsContact C-N 3.33Å; H617-F619 PolarHBondContact O-N 3.37Å; H617-V620 PolarHBondContact O-N 2.89Å; H617-I621 VanDerWaalsContact CE1-CD1 3.46Å; H617-I621 WeakPolarHBondContact CE1-CD1 3.29Å; H617-I621 PolarHBondContact O-N 3.39Å |
| 618 | H | 69.9 | Low | 68.3 | Low | 131 Ų | 131 | 81.8 Ų | 81.8 | 61% | 0.606 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.1 | -33.6 | 173.5 | -77.7 | -56.1 | 0 | 0 | 0 | 113.6 | K614 T615 R622 | K614-H618 PolarHBondContact O-CD2 2.87Å; K614-H618 PolarHBondContact O-N 2.82Å; T615-H618 PolarHBondContact O-N 3.23Å; H618-R622 VanDerWaalsContact O-CB 3.26Å; H618-R622 WeakPolarHBondContact O-CB 3.22Å; H618-R622 PolarHBondContact O-N 3.08Å |
| 619 | F | 74.1 | Confident | 68.4 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 172.6 | 177.8 | -92.7 | 0 | 0 | 0 | 111.5 | T615 A616 H617 R622 K623 A659 | T615-F619 PolarHBondContact O-N 3.49Å; A616-F619 WeakPolarHBondContact O-CB 3.46Å; A616-F619 PolarHBondContact O-N 3.4Å; H617-F619 VanDerWaalsContact C-N 3.33Å; H617-F619 PolarHBondContact O-N 3.37Å; F619-R622 PolarHBondContact O-N 3.35Å; F619-K623 HydrophobicContact CD1-CG 4.19Å; F619-K623 HydrophobicContact CD2-CG 4.4Å; F619-K623 HydrophobicContact CE1-CG 3.83Å; F619-K623 HydrophobicContact CE2-CG 4.05Å; F619-K623 HydrophobicContact CG-CG 4.47Å; F619-K623 HydrophobicContact CZ-CD 4.36Å; F619-K623 HydrophobicContact CZ-CG 3.76Å; F619-K623 WeakPolarHBondContact O-CB 3.32Å; F619-K623 WeakPolarHBondContact O-CG 3.43Å; F619-K623 PolarHBondContact O-N 3Å; F619-A659 HydrophobicContact CE2-CB 4.48Å; F619-A659 HydrophobicContact CZ-CB 4.13Å |
| 620 | V | 70.4 | Confident | 68.7 | Low | 10 Ų | 10 | 87.7 Ų | 87.7 | 6% | 0.061 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.1 | -52 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | F608 L612 A616 H617 R622 K623 T624 L652 | F608-V620 HydrophobicContact CB-CG1 4.44Å; F608-V620 HydrophobicContact CD2-CG1 3.78Å; F608-V620 HydrophobicContact CE2-CG1 4.15Å; F608-V620 HydrophobicContact CG-CG1 4.02Å; L612-V620 HydrophobicContact CD1-CB 4.5Å; L612-V620 HydrophobicContact CD1-CG2 3.62Å; A616-V620 WeakPolarHBondContact O-CG2 3.46Å; A616-V620 PolarHBondContact O-N 2.85Å; H617-V620 PolarHBondContact O-N 2.89Å; V620-R622 VanDerWaalsContact C-N 3.34Å; V620-R622 PolarHBondContact O-N 3.43Å; V620-K623 CarbonylContact O-C 3.52Å; V620-K623 PolarHBondContact O-N 3.35Å; V620-K623 VanDerWaalsContact O-N 3.08Å; V620-T624 WeakPolarHBondContact O-CB 3.47Å; V620-T624 PolarHBondContact O-N 3.02Å; V620-T624 PolarHBondContact O-OG1 2.98Å; V620-L652 HydrophobicContact CG1-CD1 4.38Å |
| 621 | I | 72.9 | Confident | 68.5 | Low | 47 Ų | 47 | 84.5 Ų | 84.5 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.7 | -48.6 | 176.5 | -70.8 | 177.3 | 0 | 0 | 0 | 110.9 | H617 K623 T624 E625 | H617-I621 VanDerWaalsContact CE1-CD1 3.46Å; H617-I621 WeakPolarHBondContact CE1-CD1 3.29Å; H617-I621 PolarHBondContact O-N 3.39Å; I621-K623 VanDerWaalsContact C-N 3.32Å; I621-K623 PolarHBondContact O-N 2.83Å; I621-T624 PolarHBondContact O-N 3.39Å; I621-E625 WeakPolarHBondContact O-CB 3.39Å; I621-E625 WeakPolarHBondContact O-CG 3.23Å; I621-E625 PolarHBondContact O-N 3.21Å |
| 622 | R | 77.2 | Confident | 67.9 | Low | 173 Ų | 173 | 89.6 Ų | 89.6 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 177.4 | 175.6 | 179.9 | -84.2 | -177.7 | -6.7 | 112 | H618 F619 V620 E626 | H618-R622 VanDerWaalsContact O-CB 3.26Å; H618-R622 WeakPolarHBondContact O-CB 3.22Å; H618-R622 PolarHBondContact O-N 3.08Å; F619-R622 PolarHBondContact O-N 3.35Å; V620-R622 VanDerWaalsContact C-N 3.34Å; V620-R622 PolarHBondContact O-N 3.43Å; R622-E626 WeakPolarHBondContact O-CG 3.41Å; R622-E626 PolarHBondContact O-N 3.45Å |
| 623 | K | 71.5 | Confident | 67.4 | Low | 47 Ų | 47 | 89.3 Ų | 89.3 | 20% | 0.204 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -75 | -38 | -179.6 | -74.9 | -67.5 | 174.1 | -140 | 0 | 112.8 | F619 V620 I621 E625 E626 L627 | F619-K623 HydrophobicContact CD1-CG 4.19Å; F619-K623 HydrophobicContact CD2-CG 4.4Å; F619-K623 HydrophobicContact CE1-CG 3.83Å; F619-K623 HydrophobicContact CE2-CG 4.05Å; F619-K623 HydrophobicContact CG-CG 4.47Å; F619-K623 HydrophobicContact CZ-CD 4.36Å; F619-K623 HydrophobicContact CZ-CG 3.76Å; F619-K623 WeakPolarHBondContact O-CB 3.32Å; F619-K623 WeakPolarHBondContact O-CG 3.43Å; F619-K623 PolarHBondContact O-N 3Å; V620-K623 CarbonylContact O-C 3.52Å; V620-K623 PolarHBondContact O-N 3.35Å; V620-K623 VanDerWaalsContact O-N 3.08Å; I621-K623 VanDerWaalsContact C-N 3.32Å; I621-K623 PolarHBondContact O-N 2.83Å; K623-E625 VanDerWaalsContact C-N 3.33Å; K623-E626 IonicContact NZ-OE1 2.71Å; K623-E626 PolarHBondContact NZ-OE1 2.8Å; K623-E626 IonicContact NZ-OE2 2.69Å; K623-E626 PolarHBondContact NZ-OE2 3.31Å; K623-E626 PolarHBondContact O-N 3.32Å; K623-L627 WeakPolarHBondContact O-CB 3.05Å; K623-L627 VanDerWaalsContact O-CG 3.26Å; K623-L627 WeakPolarHBondContact O-CG 3.4Å; K623-L627 PolarHBondContact O-N 3.3Å |
| 624 | T | 71.1 | Confident | 66.1 | Low | 28 Ų | 28 | 91.5 Ų | 91.5 | 17% | 0.172 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 171.9 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | P602 V620 I621 L627 L628 | P602-T624 HydrophobicContact CB-CG2 4.41Å; P602-T624 HydrophobicContact CG-CG2 3.57Å; V620-T624 WeakPolarHBondContact O-CB 3.47Å; V620-T624 PolarHBondContact O-N 3.02Å; V620-T624 PolarHBondContact O-OG1 2.98Å; I621-T624 PolarHBondContact O-N 3.39Å; T624-L627 PolarHBondContact O-N 2.76Å; T624-L628 VanDerWaalsContact O-CB 3.29Å; T624-L628 WeakPolarHBondContact O-CB 3.37Å; T624-L628 PolarHBondContact O-N 3.28Å |
| 625 | E | 73 | Confident | 64.7 | Low | 91 Ų | 91 | 89 Ų | 89 | 43% | 0.425 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 168.7 | -83.4 | -171.4 | -128.8 | 0 | 0 | 113 | I621 K623 L627 L628 K629 | I621-E625 WeakPolarHBondContact O-CB 3.39Å; I621-E625 WeakPolarHBondContact O-CG 3.23Å; I621-E625 PolarHBondContact O-N 3.21Å; K623-E625 VanDerWaalsContact C-N 3.33Å; E625-L627 VanDerWaalsContact C-N 3.33Å; E625-L627 PolarHBondContact O-N 2.84Å; E625-L628 PolarHBondContact O-N 3.46Å; E625-K629 VanDerWaalsContact O-CB 3.28Å; E625-K629 WeakPolarHBondContact O-CB 3.39Å; E625-K629 WeakPolarHBondContact O-CD 3.49Å; E625-K629 WeakPolarHBondContact O-CG 3.15Å; E625-K629 PolarHBondContact O-N 2.81Å; E625-K629 IonicContact OE2-NZ 2.68Å; E625-K629 PolarHBondContact OE2-NZ 3.22Å |
| 626 | E | 74.2 | Confident | 63 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 34% | 0.341 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.9 | -80.1 | 176.6 | -133.9 | 0 | 0 | 111.6 | R622 K623 K630 | R622-E626 WeakPolarHBondContact O-CG 3.41Å; R622-E626 PolarHBondContact O-N 3.45Å; K623-E626 IonicContact NZ-OE1 2.71Å; K623-E626 PolarHBondContact NZ-OE1 2.8Å; K623-E626 IonicContact NZ-OE2 2.69Å; K623-E626 PolarHBondContact NZ-OE2 3.31Å; K623-E626 PolarHBondContact O-N 3.32Å; E626-K630 WeakPolarHBondContact O-CB 3.48Å; E626-K630 WeakPolarHBondContact O-CG 3.04Å; E626-K630 PolarHBondContact O-N 2.91Å |
| 627 | L | 64.7 | Low | 61.5 | Low | 76 Ų | 76 | 100 Ų | 100 | 40% | 0.398 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 176.3 | -70 | 170.6 | 0 | 0 | 0 | 111.4 | K623 T624 E625 K629 K630 A631 | K623-L627 WeakPolarHBondContact O-CB 3.05Å; K623-L627 VanDerWaalsContact O-CG 3.26Å; K623-L627 WeakPolarHBondContact O-CG 3.4Å; K623-L627 PolarHBondContact O-N 3.3Å; T624-L627 PolarHBondContact O-N 2.76Å; E625-L627 VanDerWaalsContact C-N 3.33Å; E625-L627 PolarHBondContact O-N 2.84Å; L627-K629 VanDerWaalsContact C-N 3.35Å; L627-K629 PolarHBondContact O-N 2.84Å; L627-K630 PolarHBondContact O-N 3.21Å; L627-A631 WeakPolarHBondContact O-CB 3.07Å; L627-A631 PolarHBondContact O-N 3.01Å |
| 628 | L | 68 | Low | 59.8 | Low | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.4 | -158.7 | 88.8 | 0 | 0 | 0 | 111.7 | T624 E625 A631 K632 | T624-L628 VanDerWaalsContact O-CB 3.29Å; T624-L628 WeakPolarHBondContact O-CB 3.37Å; T624-L628 PolarHBondContact O-N 3.28Å; E625-L628 PolarHBondContact O-N 3.46Å; L628-A631 PolarHBondContact O-N 3.37Å; L628-K632 WeakPolarHBondContact O-CB 3.49Å; L628-K632 PolarHBondContact O-N 3.08Å |
| 629 | K | 69.7 | Low | 58.1 | Low | 130 Ų | 130 | 103.5 Ų | 103.5 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -33.6 | 174.6 | -72.3 | 163.9 | -167.1 | 167.7 | 0 | 112.2 | E625 L627 G633 | E625-K629 VanDerWaalsContact O-CB 3.28Å; E625-K629 WeakPolarHBondContact O-CB 3.39Å; E625-K629 WeakPolarHBondContact O-CD 3.49Å; E625-K629 WeakPolarHBondContact O-CG 3.15Å; E625-K629 PolarHBondContact O-N 2.81Å; E625-K629 IonicContact OE2-NZ 2.68Å; E625-K629 PolarHBondContact OE2-NZ 3.22Å; L627-K629 VanDerWaalsContact C-N 3.35Å; L627-K629 PolarHBondContact O-N 2.84Å; K629-G633 PolarHBondContact O-N 2.68Å |
| 630 | K | 64.6 | Low | 56.5 | Low | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.7 | -41.1 | 169.6 | -78.4 | -178.6 | 174.6 | -171.6 | 0 | 112.1 | E626 L627 G633 | E626-K630 WeakPolarHBondContact O-CB 3.48Å; E626-K630 WeakPolarHBondContact O-CG 3.04Å; E626-K630 PolarHBondContact O-N 2.91Å; L627-K630 PolarHBondContact O-N 3.21Å; K630-G633 PolarHBondContact O-N 2.8Å; K630-G633 VanDerWaalsContact O-N 3.15Å |
| 631 | A | 55.2 | Low | 55.4 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L627 L628 G633 N634 | L627-A631 WeakPolarHBondContact O-CB 3.07Å; L627-A631 PolarHBondContact O-N 3.01Å; L628-A631 PolarHBondContact O-N 3.37Å; A631-G633 PolarHBondContact O-N 2.91Å; A631-N634 PolarHBondContact O-N 2.76Å |
| 632 | K | 48.9 | Very low | 54.2 | Low | 183 Ų | 183 | 114 Ų | 114 | 80% | 0.796 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -7.2 | 173 | -91.3 | -172.2 | 169.7 | -177.1 | 0 | 115 | L628 | L628-K632 WeakPolarHBondContact O-CB 3.49Å; L628-K632 PolarHBondContact O-N 3.08Å |
| 633 | G | 52.3 | Low | 53.2 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -17.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K629 K630 A631 | K629-G633 PolarHBondContact O-N 2.68Å; K630-G633 PolarHBondContact O-N 2.8Å; K630-G633 VanDerWaalsContact O-N 3.15Å; A631-G633 PolarHBondContact O-N 2.91Å |
| 634 | N | 42.3 | Very low | 52.8 | Low | 134 Ų | 134 | 107.8 Ų | 107.8 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -108.1 | 99.6 | 177.3 | -66.8 | 11.9 | 0 | 0 | 0 | 108.4 | A631 | A631-N634 PolarHBondContact O-N 2.76Š|
| 635 | T | 36.5 | Very low | 52.1 | Low | 124 Ų | 124 | 109.9 Ų | 109.9 | 76% | 0.761 | 62% | 0.616 | S | S | * | * | trans | -72.5 | 145.9 | 171.9 | -26 | 0 | 0 | 0 | 0 | 110 | ||||
| 636 | E | 34.2 | Very low | 51.8 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 84% | 0.836 | 61% | 0.606 | S | S | * | * | trans | 62.4 | 76.8 | 169 | -58 | -179.2 | -169.4 | 0 | 0 | 116.6 | ||||
| 637 | E | 35.7 | Very low | 51.5 | Low | 197 Ų | 197 | 108 Ų | 108 | 92% | 0.921 | 61% | 0.608 | S | S | * | * | -146 | 146.9 | 123.4 | -80.8 | -147.4 | 135.9 | 0 | 0 | 109.3 | |||||
| 638 | D | 29.7 | Very low | 51.8 | Low | 170 Ų | 170 | 106.6 Ų | 106.6 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | trans | -94.9 | 158.1 | -175.4 | -150.3 | -19.6 | 0 | 0 | 0 | 111.7 | ||||
| 639 | G | 34.3 | Very low | 51.8 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | trans | 84.7 | 53.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P641 | G639-P641 VanDerWaalsContact O-CD 3.25Å; G639-P641 WeakPolarHBondContact O-CD 3.19Å; G639-P641 VanDerWaalsContact O-N 3.12Å | ||
| 640 | V | 41 | Very low | 51.8 | Low | 136 Ų | 136 | 100.6 Ų | 100.6 | 82% | 0.824 | 58% | 0.576 | S | S | * | * | trans | -55.2 | 115.1 | 168.1 | 177.4 | 0 | 0 | 0 | 0 | 110 | S642 | V640-S642 PolarHBondContact O-N 2.65Š| ||
| 641 | P | 46.9 | Very low | 52.1 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | trans | -65.3 | 129.9 | 172.4 | 27.6 | -33 | 0 | 0 | 0 | 108.3 | G639 T643 | G639-P641 VanDerWaalsContact O-CD 3.25Å; G639-P641 WeakPolarHBondContact O-CD 3.19Å; G639-P641 VanDerWaalsContact O-N 3.12Å; P641-T643 PolarHBondContact O-N 2.86Å | ||
| 642 | S | 47.5 | Very low | 52.8 | Low | 122 Ų | 122 | 96.4 Ų | 96.4 | 85% | 0.853 | 54% | 0.543 | S | S | * | . | trans | -72.4 | 70.6 | 179.8 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | V640 S644 | V640-S642 PolarHBondContact O-N 2.65Å; S642-S644 PolarHBondContact O-N 3.07Å | ||
| 643 | T | 56.5 | Low | 53.9 | Low | 50 Ų | 50 | 89.1 Ų | 89.1 | 31% | 0.307 | 51% | 0.513 | S | S | . | . | trans | -49.9 | 125 | -174.2 | 55.8 | 0 | 0 | 0 | 0 | 110 | P641 E647 R651 | P641-T643 PolarHBondContact O-N 2.86Å; T643-E647 WeakPolarHBondContact CA-OE2 3.35Å; T643-E647 VanDerWaalsContact CB-OE2 3.27Å; T643-E647 WeakPolarHBondContact CB-OE2 3.46Å; T643-R651 PolarHBondContact OG1-NH2 3.2Å | ||
| 644 | S | 61.9 | Low | 55 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | trans | -61.4 | 154.7 | -164.1 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | S642 M646 E647 V648 | S642-S644 PolarHBondContact O-N 3.07Å; S644-M646 PolarHBondContact O-N 3.19Å; S644-E647 WeakPolarHBondContact CB-OE1 3.4Å; S644-E647 PolarHBondContact N-OE1 3.41Å; S644-E647 PolarHBondContact N-OE2 2.89Å; S644-E647 WeakPolarHBondContact O-CA 3.22Å; S644-E647 PolarHBondContact O-N 3.41Å; S644-E647 VanDerWaalsContact OG-CD 3.22Å; S644-E647 PolarHBondContact OG-N 2.99Å; S644-E647 PolarHBondContact OG-OE1 2.94Å; S644-V648 PolarHBondContact O-N 3.34Å | ||
| 645 | P | 58.2 | Low | 56.4 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -53.7 | -24.9 | 173.2 | -28.5 | 36.5 | 0 | 0 | 0 | 113.2 | Y604 L649 | Y604-P645 HydrophobicContact CE1-CG 4.25Å; Y604-P645 HydrophobicContact CE2-CG 4.32Å; P645-L649 VanDerWaalsContact O-CB 3.31Å; P645-L649 WeakPolarHBondContact O-CB 3.43Å; P645-L649 PolarHBondContact O-N 2.95Å |
| 646 | M | 65.6 | Low | 58.1 | Low | 42 Ų | 42 | 80.4 Ų | 80.4 | 21% | 0.207 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -71 | -44.8 | 171.8 | -172.8 | 72.7 | -88.7 | 0 | 0 | 112.3 | S644 V648 L649 D650 R706 | S644-M646 PolarHBondContact O-N 3.19Å; M646-V648 VanDerWaalsContact C-N 3.34Å; M646-L649 HydrophobicContact CE-CB 4.04Å; M646-L649 HydrophobicContact CE-CD2 3.86Å; M646-L649 HydrophobicContact CE-CG 4.07Å; M646-L649 PolarHBondContact O-N 3.32Å; M646-D650 WeakPolarHBondContact O-CB 3.25Å; M646-D650 PolarHBondContact O-N 2.88Å; M646-R706 VanDerWaalsContact CE-CD 3.49Å; M646-R706 HydrophobicContact CE-CG 3.71Å; M646-R706 VanDerWaalsContact CE-NE 3.33Å; M646-R706 HydrophobicContact SD-CG 3.76Å; M646-R706 PolarHBondContact SD-NE 2.83Å |
| 647 | E | 68.9 | Low | 59.9 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -30.4 | 174 | -68.3 | 142.5 | -122.6 | 0 | 0 | 113.1 | T643 S644 R651 | T643-E647 WeakPolarHBondContact CA-OE2 3.35Å; T643-E647 VanDerWaalsContact CB-OE2 3.27Å; T643-E647 WeakPolarHBondContact CB-OE2 3.46Å; S644-E647 WeakPolarHBondContact CB-OE1 3.4Å; S644-E647 PolarHBondContact N-OE1 3.41Å; S644-E647 PolarHBondContact N-OE2 2.89Å; S644-E647 WeakPolarHBondContact O-CA 3.22Å; S644-E647 PolarHBondContact O-N 3.41Å; S644-E647 VanDerWaalsContact OG-CD 3.22Å; S644-E647 PolarHBondContact OG-N 2.99Å; S644-E647 PolarHBondContact OG-OE1 2.94Å; E647-R651 WeakPolarHBondContact O-CB 3.42Å; E647-R651 WeakPolarHBondContact O-CG 3.4Å; E647-R651 PolarHBondContact O-N 2.73Å; E647-R651 PolarHBondContact O-NE 2.79Å |
| 648 | V | 69.4 | Low | 61.7 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.9 | -49.4 | 170.6 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | S644 M646 D650 R651 L652 | S644-V648 PolarHBondContact O-N 3.34Å; M646-V648 VanDerWaalsContact C-N 3.34Å; V648-D650 PolarHBondContact O-N 2.85Å; V648-R651 PolarHBondContact O-N 3.26Å; V648-L652 HydrophobicContact CG1-CD1 4.09Å; V648-L652 WeakPolarHBondContact O-CB 3.12Å; V648-L652 WeakPolarHBondContact O-CG 3.48Å; V648-L652 PolarHBondContact O-N 3.03Å |
| 649 | L | 69.2 | Low | 63.7 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 175.6 | 179.1 | 57.9 | 0 | 0 | 0 | 112.2 | P645 M646 L652 I653 | P645-L649 VanDerWaalsContact O-CB 3.31Å; P645-L649 WeakPolarHBondContact O-CB 3.43Å; P645-L649 PolarHBondContact O-N 2.95Å; M646-L649 HydrophobicContact CE-CB 4.04Å; M646-L649 HydrophobicContact CE-CD2 3.86Å; M646-L649 HydrophobicContact CE-CG 4.07Å; M646-L649 PolarHBondContact O-N 3.32Å; L649-L652 CarbonylContact O-C 3.59Å; L649-L652 PolarHBondContact O-N 3.22Å; L649-I653 HydrophobicContact CD1-CD1 3.96Å; L649-I653 HydrophobicContact CD1-CG1 4.06Å; L649-I653 HydrophobicContact CG-CD1 3.83Å; L649-I653 HydrophobicContact CG-CG1 4.39Å; L649-I653 WeakPolarHBondContact O-CB 3.31Å; L649-I653 WeakPolarHBondContact O-CG1 3.31Å; L649-I653 PolarHBondContact O-N 2.84Å |
| 650 | D | 68.7 | Low | 65.4 | Low | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.193 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.9 | -74.3 | -34 | 0 | 0 | 0 | 111.8 | M646 V648 L652 I653 Q654 R706 | M646-D650 WeakPolarHBondContact O-CB 3.25Å; M646-D650 PolarHBondContact O-N 2.88Å; V648-D650 PolarHBondContact O-N 2.85Å; D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 2.8Å; D650-I653 PolarHBondContact O-N 2.85Å; D650-Q654 WeakPolarHBondContact O-CB 3.31Å; D650-Q654 PolarHBondContact O-N 3.48Å; D650-R706 WeakPolarHBondContact OD1-CD 3.41Å; D650-R706 IonicContact OD1-CZ 3.29Å; D650-R706 IonicContact OD1-NE 3.75Å; D650-R706 PolarHBondContact OD1-NE 2.67Å; D650-R706 IonicContact OD1-NH1 2.66Å; D650-R706 PolarHBondContact OD1-NH1 3.1Å; D650-R706 IonicContact OD1-NH2 3.69Å; D650-R706 IonicContact OD2-CZ 2.7Å; D650-R706 IonicContact OD2-NE 3.88Å; D650-R706 IonicContact OD2-NH1 3.51Å; D650-R706 PolarHBondContact OD2-NH1 2.74Å; D650-R706 VanDerWaalsContact OD2-NH1 3.12Å; D650-R706 IonicContact OD2-NH2 2.83Å; D650-R706 PolarHBondContact OD2-NH2 2.66Å |
| 651 | R | 71.1 | Confident | 66.8 | Low | 110 Ų | 110 | 58 Ų | 58 | 42% | 0.415 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.4 | -29.4 | 177.1 | -73.6 | 173 | -63.6 | 167.6 | 8 | 111.8 | T643 E647 V648 Q655 | T643-R651 PolarHBondContact OG1-NH2 3.2Å; E647-R651 WeakPolarHBondContact O-CB 3.42Å; E647-R651 WeakPolarHBondContact O-CG 3.4Å; E647-R651 PolarHBondContact O-N 2.73Å; E647-R651 PolarHBondContact O-NE 2.79Å; V648-R651 PolarHBondContact O-N 3.26Å; R651-Q655 WeakPolarHBondContact O-CA 3.49Å; R651-Q655 WeakPolarHBondContact O-CB 3.41Å; R651-Q655 WeakPolarHBondContact O-CG 3.47Å; R651-Q655 PolarHBondContact O-N 3.46Å |
| 652 | L | 71.1 | Confident | 68 | Low | 20 Ų | 20 | 58.9 Ų | 58.9 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 170.6 | -73 | 171.3 | 0 | 0 | 0 | 112.3 | F608 V620 V648 L649 D650 G656 | F608-L652 HydrophobicContact CE1-CD1 4.24Å; F608-L652 HydrophobicContact CE2-CD1 4.39Å; F608-L652 HydrophobicContact CZ-CD1 3.8Å; V620-L652 HydrophobicContact CG1-CD1 4.38Å; V648-L652 HydrophobicContact CG1-CD1 4.09Å; V648-L652 WeakPolarHBondContact O-CB 3.12Å; V648-L652 WeakPolarHBondContact O-CG 3.48Å; V648-L652 PolarHBondContact O-N 3.03Å; L649-L652 CarbonylContact O-C 3.59Å; L649-L652 PolarHBondContact O-N 3.22Å; D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 2.8Å; L652-G656 PolarHBondContact O-N 3.24Å |
| 653 | I | 72.2 | Confident | 69.1 | Low | 30 Ų | 30 | 58 Ų | 58 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 174.8 | -71.1 | 166.5 | 0 | 0 | 0 | 110.1 | L649 D650 G656 A657 L702 | L649-I653 HydrophobicContact CD1-CD1 3.96Å; L649-I653 HydrophobicContact CD1-CG1 4.06Å; L649-I653 HydrophobicContact CG-CD1 3.83Å; L649-I653 HydrophobicContact CG-CG1 4.39Å; L649-I653 WeakPolarHBondContact O-CB 3.31Å; L649-I653 WeakPolarHBondContact O-CG1 3.31Å; L649-I653 PolarHBondContact O-N 2.84Å; D650-I653 PolarHBondContact O-N 2.85Å; I653-G656 PolarHBondContact O-N 3.32Å; I653-A657 PolarHBondContact O-N 2.88Å; I653-L702 HydrophobicContact CD1-CD1 4.47Å; I653-L702 HydrophobicContact CD1-CD2 3.8Å; I653-L702 HydrophobicContact CD1-CG 3.98Å; I653-L702 HydrophobicContact CG1-CD2 3.81Å; I653-L702 HydrophobicContact CG2-CD2 3.91Å |
| 654 | Q | 73.9 | Confident | 69.5 | Low | 60 Ų | 60 | 56.9 Ų | 56.9 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.6 | -171 | 60.9 | 48.7 | 0 | 0 | 111 | D650 G656 A657 D658 | D650-Q654 WeakPolarHBondContact O-CB 3.31Å; D650-Q654 PolarHBondContact O-N 3.48Å; Q654-G656 VanDerWaalsContact C-N 3.26Å; Q654-G656 PolarHBondContact O-N 2.97Å; Q654-A657 PolarHBondContact O-N 2.79Å; Q654-D658 PolarHBondContact NE2-OD1 3.23Å; Q654-D658 WeakPolarHBondContact O-CB 2.94Å; Q654-D658 PolarHBondContact O-N 3.28Å |
| 655 | Q | 71.7 | Confident | 69.8 | Low | 55 Ų | 55 | 59.6 Ų | 59.6 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -29.4 | 174.9 | -74.3 | 171.7 | 27.7 | 0 | 0 | 112.6 | R651 A659 | R651-Q655 WeakPolarHBondContact O-CA 3.49Å; R651-Q655 WeakPolarHBondContact O-CB 3.41Å; R651-Q655 WeakPolarHBondContact O-CG 3.47Å; R651-Q655 PolarHBondContact O-N 3.46Å; Q655-A659 WeakPolarHBondContact O-CB 3.46Å; Q655-A659 PolarHBondContact O-N 2.77Å |
| 656 | G | 71.8 | Confident | 70.2 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -53.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L652 I653 Q654 D658 A659 H660 | L652-G656 PolarHBondContact O-N 3.24Å; I653-G656 PolarHBondContact O-N 3.32Å; Q654-G656 VanDerWaalsContact C-N 3.26Å; Q654-G656 PolarHBondContact O-N 2.97Å; G656-D658 VanDerWaalsContact C-N 3.35Å; G656-D658 PolarHBondContact O-N 2.87Å; G656-A659 PolarHBondContact O-N 2.98Å; G656-H660 WeakPolarHBondContact O-CB 3.39Å; G656-H660 PolarHBondContact O-CD2 3.31Å; G656-H660 PolarHBondContact O-N 3.44Å |
| 657 | A | 72 | Confident | 69.9 | Low | 20 Ų | 20 | 64.2 Ų | 64.2 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I653 Q654 S661 | I653-A657 PolarHBondContact O-N 2.88Å; Q654-A657 PolarHBondContact O-N 2.79Å; A657-S661 WeakPolarHBondContact O-CB 3.49Å; A657-S661 PolarHBondContact O-N 3.43Å |
| 658 | D | 73.5 | Confident | 68.9 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 172.8 | -90.2 | 38.4 | 0 | 0 | 0 | 112.3 | Q654 G656 K662 | Q654-D658 PolarHBondContact NE2-OD1 3.23Å; Q654-D658 WeakPolarHBondContact O-CB 2.94Å; Q654-D658 PolarHBondContact O-N 3.28Å; G656-D658 VanDerWaalsContact C-N 3.35Å; G656-D658 PolarHBondContact O-N 2.87Å; D658-K662 WeakPolarHBondContact O-CB 3.34Å; D658-K662 VanDerWaalsContact O-CD 3.25Å; D658-K662 WeakPolarHBondContact O-CD 3.36Å; D658-K662 WeakPolarHBondContact O-CG 3.45Å; D658-K662 PolarHBondContact O-N 2.99Å; D658-K662 IonicContact OD2-NZ 2.91Å; D658-K662 PolarHBondContact OD2-NZ 3.11Å |
| 659 | A | 72.2 | Confident | 67.7 | Low | 28 Ų | 28 | 70 Ų | 70 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.3 | -43.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | F619 Q655 G656 K662 E663 | F619-A659 HydrophobicContact CE2-CB 4.48Å; F619-A659 HydrophobicContact CZ-CB 4.13Å; Q655-A659 WeakPolarHBondContact O-CB 3.46Å; Q655-A659 PolarHBondContact O-N 2.77Å; G656-A659 PolarHBondContact O-N 2.98Å; A659-K662 PolarHBondContact O-N 3.35Å; A659-E663 WeakPolarHBondContact O-CB 3.04Å; A659-E663 PolarHBondContact O-N 2.89Å |
| 660 | H | 69.7 | Low | 66.5 | Low | 120 Ų | 120 | 70.6 Ų | 70.6 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 173.4 | -73.7 | -63 | 0 | 0 | 0 | 111.7 | G656 E663 L664 L695 | G656-H660 WeakPolarHBondContact O-CB 3.39Å; G656-H660 PolarHBondContact O-CD2 3.31Å; G656-H660 PolarHBondContact O-N 3.44Å; H660-E663 PolarHBondContact O-N 3.48Å; H660-L664 VanDerWaalsContact O-CB 3.31Å; H660-L664 WeakPolarHBondContact O-CB 3.46Å; H660-L664 WeakPolarHBondContact O-CG 3.26Å; H660-L664 PolarHBondContact O-N 3.4Å; H660-L695 HydrophobicContact CB-CD1 4.45Å; H660-L695 HydrophobicContact CB-CD2 3.94Å |
| 661 | S | 70.9 | Confident | 65.3 | Low | 46 Ų | 46 | 74.3 Ų | 74.3 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | A657 E663 L664 N665 | A657-S661 WeakPolarHBondContact O-CB 3.49Å; A657-S661 PolarHBondContact O-N 3.43Å; S661-E663 PolarHBondContact O-N 2.88Å; S661-L664 PolarHBondContact O-N 2.88Å; S661-N665 VanDerWaalsContact O-CB 3.28Å; S661-N665 WeakPolarHBondContact O-CB 3.46Å; S661-N665 PolarHBondContact O-N 2.83Å; S661-N665 PolarHBondContact O-ND2 3.48Å; S661-N665 VanDerWaalsContact O-ND2 3.1Å |
| 662 | K | 72.3 | Confident | 63.9 | Low | 116 Ų | 116 | 78.3 Ų | 78.3 | 50% | 0.504 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 176.2 | -75 | 158.1 | -173.9 | 154.5 | 0 | 111.7 | D658 A659 N665 K666 | D658-K662 WeakPolarHBondContact O-CB 3.34Å; D658-K662 VanDerWaalsContact O-CD 3.25Å; D658-K662 WeakPolarHBondContact O-CD 3.36Å; D658-K662 WeakPolarHBondContact O-CG 3.45Å; D658-K662 PolarHBondContact O-N 2.99Å; D658-K662 IonicContact OD2-NZ 2.91Å; D658-K662 PolarHBondContact OD2-NZ 3.11Å; A659-K662 PolarHBondContact O-N 3.35Å; K662-N665 CarbonylContact O-C 3.56Å; K662-N665 PolarHBondContact O-N 3.41Å; K662-K666 VanDerWaalsContact O-CG 3.31Å; K662-K666 WeakPolarHBondContact O-CG 3.48Å; K662-K666 PolarHBondContact O-N 3.14Å |
| 663 | E | 70.2 | Confident | 62.4 | Low | 103 Ų | 103 | 83 Ų | 83 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.3 | -40 | 176.6 | -132.8 | 64.4 | -161.4 | 0 | 0 | 112.4 | A659 H660 S661 N665 K666 L667 | A659-E663 WeakPolarHBondContact O-CB 3.04Å; A659-E663 PolarHBondContact O-N 2.89Å; H660-E663 PolarHBondContact O-N 3.48Å; S661-E663 PolarHBondContact O-N 2.88Å; E663-N665 PolarHBondContact O-N 3.27Å; E663-K666 PolarHBondContact O-N 2.92Å; E663-K666 WeakPolarHBondContact OE1-CD 3.37Å; E663-K666 IonicContact OE1-NZ 2.73Å; E663-K666 PolarHBondContact OE1-NZ 3.48Å; E663-K666 WeakPolarHBondContact OE2-CE 3.3Å; E663-K666 IonicContact OE2-NZ 2.66Å; E663-K666 PolarHBondContact OE2-NZ 2.8Å; E663-L667 PolarHBondContact O-N 3.29Å |
| 664 | L | 64.7 | Low | 60.8 | Low | 27 Ų | 27 | 87 Ų | 87 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -58.4 | -33.7 | 169.8 | -74.4 | 167.3 | 0 | 0 | 0 | 111.9 | H660 S661 L667 L691 R692 L695 | H660-L664 VanDerWaalsContact O-CB 3.31Å; H660-L664 WeakPolarHBondContact O-CB 3.46Å; H660-L664 WeakPolarHBondContact O-CG 3.26Å; H660-L664 PolarHBondContact O-N 3.4Å; S661-L664 PolarHBondContact O-N 2.88Å; L664-L667 HydrophobicContact CD2-CD1 4.15Å; L664-L691 HydrophobicContact CD1-CB 4.49Å; L664-L691 HydrophobicContact CD2-CB 4.01Å; L664-L691 HydrophobicContact CD2-CD1 3.95Å; L664-R692 HydrophobicContact CD1-CG 4.29Å; L664-L695 HydrophobicContact CD1-CD2 4.48Å |
| 665 | N | 68 | Low | 59.3 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -85 | -11.8 | 175.6 | -63.1 | -22.1 | 0 | 0 | 0 | 113.6 | S661 K662 E663 R692 | S661-N665 VanDerWaalsContact O-CB 3.28Å; S661-N665 WeakPolarHBondContact O-CB 3.46Å; S661-N665 PolarHBondContact O-N 2.83Å; S661-N665 PolarHBondContact O-ND2 3.48Å; S661-N665 VanDerWaalsContact O-ND2 3.1Å; K662-N665 CarbonylContact O-C 3.56Å; K662-N665 PolarHBondContact O-N 3.41Å; E663-N665 PolarHBondContact O-N 3.27Å; N665-R692 PolarHBondContact OD1-NH2 2.67Å |
| 666 | K | 67.4 | Low | 58 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -90.6 | -16.7 | 170.4 | -79.4 | -177.4 | -152.2 | 158.5 | 0 | 113.3 | K662 E663 P668 | K662-K666 VanDerWaalsContact O-CG 3.31Å; K662-K666 WeakPolarHBondContact O-CG 3.48Å; K662-K666 PolarHBondContact O-N 3.14Å; E663-K666 PolarHBondContact O-N 2.92Å; E663-K666 WeakPolarHBondContact OE1-CD 3.37Å; E663-K666 IonicContact OE1-NZ 2.73Å; E663-K666 PolarHBondContact OE1-NZ 3.48Å; E663-K666 WeakPolarHBondContact OE2-CE 3.3Å; E663-K666 IonicContact OE2-NZ 2.66Å; E663-K666 PolarHBondContact OE2-NZ 2.8Å; K666-P668 WeakPolarHBondContact O-CD 3.49Å |
| 667 | L | 58.8 | Low | 57 | Low | 78 Ų | 78 | 100.1 Ų | 100.1 | 41% | 0.408 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -51.6 | 116.1 | 171.3 | -71.6 | 175.1 | 0 | 0 | 0 | 107.8 | E663 L664 L669 | E663-L667 PolarHBondContact O-N 3.29Å; L664-L667 HydrophobicContact CD2-CD1 4.15Å; L667-L669 PolarHBondContact O-N 2.66Å |
| 668 | P | 47.5 | Very low | 55.8 | Low | 110 Ų | 110 | 107 Ų | 107 | 71% | 0.714 | 57% | 0.572 | S | S | * | * | trans | -71 | 109.5 | -163.7 | 25.7 | -33.9 | 0 | 0 | 0 | 109.9 | K666 P670 | K666-P668 WeakPolarHBondContact O-CD 3.49Å; P668-P670 WeakPolarHBondContact O-CD 3.42Å | ||
| 669 | L | 44.9 | Very low | 54.3 | Low | 140 Ų | 140 | 114.2 Ų | 114.2 | 73% | 0.733 | 60% | 0.601 | S | S | * | * | trans | -75.3 | 105.1 | 169.8 | -66.7 | 172.9 | 0 | 0 | 0 | 108.8 | L667 S671 I688 | L667-L669 PolarHBondContact O-N 2.66Å; L669-S671 PolarHBondContact O-N 3.4Å; L669-I688 HydrophobicContact CD2-CD1 4.12Å | ||
| 670 | P | 43.7 | Very low | 52.8 | Low | 85 Ų | 85 | 114.4 Ų | 114.4 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | trans | -79.3 | 122.5 | 179.7 | -5.7 | 26.8 | 0 | 0 | 0 | 108 | P668 K672 | P668-P670 WeakPolarHBondContact O-CD 3.42Å; P670-K672 PolarHBondContact O-N 2.67Å | ||
| 671 | S | 43.4 | Very low | 51.3 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | trans | -73.5 | 98.3 | -172.3 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | L669 | L669-S671 PolarHBondContact O-N 3.4Š| ||
| 672 | K | 41.2 | Very low | 50 | Low | 194 Ų | 194 | 111.4 Ų | 111.4 | 84% | 0.843 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 77.7 | 139.1 | 166.2 | -58.9 | 178 | 175.8 | 177.5 | 0 | 117.8 | P670 | P670-K672 PolarHBondContact O-N 2.67Š|
| 673 | S | 39.8 | Very low | 48.7 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | trans | 57 | 69.1 | 156.9 | 59.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 674 | V | 40.1 | Very low | 48.1 | Very low | 114 Ų | 114 | 106.6 Ų | 106.6 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | trans | -140.8 | 131.5 | 146.9 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 675 | D | 41.4 | Very low | 48 | Very low | 149 Ų | 149 | 109.6 Ų | 109.6 | 80% | 0.797 | 62% | 0.619 | S | S | * | * | trans | -80.9 | 130.7 | 175.8 | -68.3 | -49.2 | 0 | 0 | 0 | 111.3 | ||||
| 676 | W | 44.2 | Very low | 48.1 | Very low | 130 Ų | 130 | 110 Ų | 110 | 49% | 0.492 | 62% | 0.621 | S | S | . | * | trans | -108.2 | 45.2 | -168.3 | -83.8 | 123 | 0 | 0 | 0 | 112.7 | H678 G680 S682 | W676-H678 PolarHBondContact O-N 3.38Å; W676-G680 WeakPolarHBondContact CB-O 3.38Å; W676-G680 VanDerWaalsContact CZ3-CA 3.49Å; W676-S682 VanDerWaalsContact CD1-N 3.31Å; W676-S682 VanDerWaalsContact NE1-N 3.13Å; W676-S682 PolarHBondContact NE1-OG 3.43Å | ||
| 677 | T | 51.9 | Low | 48.6 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | -84.6 | 1.9 | -166.6 | 47.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 678 | H | 47.2 | Very low | 49.5 | Very low | 164 Ų | 164 | 105.6 Ų | 105.6 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -156.1 | 91.3 | -179.1 | -123.9 | -95.5 | 0 | 0 | 0 | 114 | W676 G680 | W676-H678 PolarHBondContact O-N 3.38Å; H678-G680 PolarHBondContact O-N 2.7Å |
| 679 | F | 40.5 | Very low | 51.2 | Low | 208 Ų | 208 | 107.7 Ų | 107.7 | 91% | 0.912 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 67 | 27 | 171.1 | -63.5 | -80 | 0 | 0 | 0 | 119 | ||
| 680 | G | 40.9 | Very low | 53 | Low | 31 Ų | 31 | 102.9 Ų | 102.9 | 32% | 0.32 | 57% | 0.571 | S | S | . | * | trans | -147.9 | 162 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | W676 H678 | W676-G680 WeakPolarHBondContact CB-O 3.38Å; W676-G680 VanDerWaalsContact CZ3-CA 3.49Å; H678-G680 PolarHBondContact O-N 2.7Å | ||
| 681 | G | 37.6 | Very low | 55 | Low | 51 Ų | 51 | 102.5 Ų | 102.5 | 53% | 0.526 | 56% | 0.564 | S | S | . | * | trans | -165.4 | 129.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 682 | S | 43.7 | Very low | 56.9 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | trans | -66.3 | 118.4 | 144.5 | 53.5 | 0 | 0 | 0 | 0 | 106.6 | W676 | W676-S682 VanDerWaalsContact CD1-N 3.31Å; W676-S682 VanDerWaalsContact NE1-N 3.13Å; W676-S682 PolarHBondContact NE1-OG 3.43Å | ||
| 683 | P | 46.2 | Very low | 59.2 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 33% | 0.331 | 51% | 0.512 | S | S | . | . | trans | -58.1 | 138.5 | -177.5 | 23.1 | -32.7 | 0 | 0 | 0 | 109.7 | S685 E687 I688 | P683-S685 PolarHBondContact O-N 3.13Å; P683-E687 HydrophobicContact CB-CB 4.47Å; P683-E687 WeakPolarHBondContact CB-OE2 3.32Å; P683-I688 HydrophobicContact CG-CD1 4.24Å; P683-I688 HydrophobicContact CG-CG1 4.22Å | ||
| 684 | P | 57.1 | Low | 61.5 | Low | 67 Ų | 67 | 91.1 Ų | 91.1 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | trans | -43.4 | 141.8 | 174.3 | -30.7 | 32.7 | 0 | 0 | 0 | 112.4 | D686 E687 I688 | P684-D686 PolarHBondContact O-N 2.75Å; P684-E687 HydrophobicContact CB-CG 4.21Å; P684-E687 HydrophobicContact CG-CG 4.24Å; P684-E687 WeakPolarHBondContact O-CB 3.37Å; P684-E687 PolarHBondContact O-N 3.44Å; P684-I688 PolarHBondContact O-N 2.97Å | ||
| 685 | S | 61.8 | Low | 63.7 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50.9 | -31.2 | 173.7 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | P683 R689 | P683-S685 PolarHBondContact O-N 3.13Å; S685-R689 WeakPolarHBondContact O-CB 3.44Å; S685-R689 PolarHBondContact O-N 2.78Å |
| 686 | D | 72 | Confident | 65.9 | Low | 106 Ų | 106 | 83 Ų | 83 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -75.9 | -29.9 | -177.6 | -51.5 | -25.6 | 0 | 0 | 0 | 112.1 | P684 T690 | P684-D686 PolarHBondContact O-N 2.75Å; D686-T690 WeakPolarHBondContact O-CB 3.26Å; D686-T690 PolarHBondContact O-N 3.23Å; D686-T690 PolarHBondContact O-OG1 3.05Å |
| 687 | E | 77 | Confident | 68.2 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 170.8 | -73.4 | -178.9 | -168.2 | 0 | 0 | 110.8 | P683 P684 R689 T690 L691 | P683-E687 HydrophobicContact CB-CB 4.47Å; P683-E687 WeakPolarHBondContact CB-OE2 3.32Å; P684-E687 HydrophobicContact CB-CG 4.21Å; P684-E687 HydrophobicContact CG-CG 4.24Å; P684-E687 WeakPolarHBondContact O-CB 3.37Å; P684-E687 PolarHBondContact O-N 3.44Å; E687-R689 VanDerWaalsContact C-N 3.29Å; E687-R689 PolarHBondContact O-N 2.85Å; E687-T690 PolarHBondContact O-N 3.41Å; E687-T690 VanDerWaalsContact O-N 3.16Å; E687-L691 WeakPolarHBondContact O-CB 3.31Å; E687-L691 WeakPolarHBondContact O-CG 3.46Å; E687-L691 PolarHBondContact O-N 3.48Å |
| 688 | I | 78.1 | Confident | 70 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 178 | -51.4 | 179.3 | 0 | 0 | 0 | 110.2 | L669 P683 P684 R692 | L669-I688 HydrophobicContact CD2-CD1 4.12Å; P683-I688 HydrophobicContact CG-CD1 4.24Å; P683-I688 HydrophobicContact CG-CG1 4.22Å; P684-I688 PolarHBondContact O-N 2.97Å; I688-R692 VanDerWaalsContact O-CG 3.32Å; I688-R692 WeakPolarHBondContact O-CG 3.44Å; I688-R692 PolarHBondContact O-N 3.05Å; I688-R692 VanDerWaalsContact O-N 3.12Å |
| 689 | R | 82.5 | Confident | 72 | Confident | 154 Ų | 154 | 69.1 Ų | 69.1 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62 | -49.3 | 171.4 | -177.9 | 177.9 | 177.8 | 169.9 | 2.2 | 111.3 | S685 E687 L691 R692 D693 | S685-R689 WeakPolarHBondContact O-CB 3.44Å; S685-R689 PolarHBondContact O-N 2.78Å; E687-R689 VanDerWaalsContact C-N 3.29Å; E687-R689 PolarHBondContact O-N 2.85Å; R689-L691 VanDerWaalsContact C-N 3.3Å; R689-L691 PolarHBondContact O-N 3.07Å; R689-R692 WeakPolarHBondContact O-CB 3.5Å; R689-R692 PolarHBondContact O-N 2.74Å; R689-R692 VanDerWaalsContact O-N 3.07Å; R689-D693 IonicContact NE-OD2 3.72Å; R689-D693 PolarHBondContact O-N 3.44Å |
| 690 | T | 84 | Confident | 74.3 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | -178.8 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | A173 Y176 D686 E687 D693 Q694 | A173-T690 HydrophobicContact CB-CG2 4.45Å; Y176-T690 HydrophobicContact CE1-CG2 4.04Å; Y176-T690 WeakPolarHBondContact OH-CA 3.44Å; D686-T690 WeakPolarHBondContact O-CB 3.26Å; D686-T690 PolarHBondContact O-N 3.23Å; D686-T690 PolarHBondContact O-OG1 3.05Å; E687-T690 PolarHBondContact O-N 3.41Å; E687-T690 VanDerWaalsContact O-N 3.16Å; T690-D693 PolarHBondContact O-N 3.33Å; T690-Q694 HydrophobicContact CG2-CG 4.45Å; T690-Q694 VanDerWaalsContact O-CB 3.31Å; T690-Q694 WeakPolarHBondContact O-CB 3.38Å; T690-Q694 WeakPolarHBondContact O-CG 3.19Å; T690-Q694 PolarHBondContact O-N 3.4Å |
| 691 | L | 83.9 | Confident | 76.7 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 174.1 | -70.5 | 169 | 0 | 0 | 0 | 112.7 | L664 E687 R689 L695 | L664-L691 HydrophobicContact CD1-CB 4.49Å; L664-L691 HydrophobicContact CD2-CB 4.01Å; L664-L691 HydrophobicContact CD2-CD1 3.95Å; E687-L691 WeakPolarHBondContact O-CB 3.31Å; E687-L691 WeakPolarHBondContact O-CG 3.46Å; E687-L691 PolarHBondContact O-N 3.48Å; R689-L691 VanDerWaalsContact C-N 3.3Å; R689-L691 PolarHBondContact O-N 3.07Å; L691-L695 VanDerWaalsContact O-CB 3.31Å; L691-L695 WeakPolarHBondContact O-CB 3.28Å; L691-L695 PolarHBondContact O-N 3.36Å |
| 692 | R | 85.1 | Confident | 79.1 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 173 | -72.6 | 170.9 | 179 | 143.7 | -1.9 | 111.7 | L664 N665 I688 R689 L695 L696 | L664-R692 HydrophobicContact CD1-CG 4.29Å; N665-R692 PolarHBondContact OD1-NH2 2.67Å; I688-R692 VanDerWaalsContact O-CG 3.32Å; I688-R692 WeakPolarHBondContact O-CG 3.44Å; I688-R692 PolarHBondContact O-N 3.05Å; I688-R692 VanDerWaalsContact O-N 3.12Å; R689-R692 WeakPolarHBondContact O-CB 3.5Å; R689-R692 PolarHBondContact O-N 2.74Å; R689-R692 VanDerWaalsContact O-N 3.07Å; R692-L695 PolarHBondContact O-N 3.47Å; R692-L696 WeakPolarHBondContact O-CB 3.32Å; R692-L696 PolarHBondContact O-N 2.93Å |
| 693 | D | 88.2 | Confident | 81.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.3 | -68.5 | -10.9 | 0 | 0 | 0 | 111 | V127 Y176 R689 T690 L696 L697 | V127-D693 HydrophobicContact CG2-CB 4.12Å; Y176-D693 HydrophobicContact CE1-CB 3.84Å; Y176-D693 WeakPolarHBondContact OH-CB 3.25Å; Y176-D693 PolarHBondContact OH-OD2 2.88Å; R689-D693 IonicContact NE-OD2 3.72Å; R689-D693 PolarHBondContact O-N 3.44Å; T690-D693 PolarHBondContact O-N 3.33Å; D693-L696 PolarHBondContact O-N 3.46Å; D693-L697 WeakPolarHBondContact O-CB 3.13Å; D693-L697 VanDerWaalsContact O-CG 3.29Å; D693-L697 WeakPolarHBondContact O-CG 3.31Å; D693-L697 PolarHBondContact O-N 2.98Å |
| 694 | Q | 88.6 | Confident | 83.4 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 23% | 0.229 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 172.2 | -77.3 | 173.6 | 14.3 | 0 | 0 | 112.1 | V175 Y176 T690 L696 L697 L698 | V175-Q694 HydrophobicContact CB-CG 4.38Å; V175-Q694 HydrophobicContact CG1-CG 3.86Å; Y176-Q694 HydrophobicContact CD1-CG 4.35Å; Y176-Q694 HydrophobicContact CE1-CG 4.06Å; T690-Q694 HydrophobicContact CG2-CG 4.45Å; T690-Q694 VanDerWaalsContact O-CB 3.31Å; T690-Q694 WeakPolarHBondContact O-CB 3.38Å; T690-Q694 WeakPolarHBondContact O-CG 3.19Å; T690-Q694 PolarHBondContact O-N 3.4Å; Q694-L696 VanDerWaalsContact C-N 3.3Å; Q694-L696 PolarHBondContact O-N 3.38Å; Q694-L697 PolarHBondContact O-N 3.03Å; Q694-L698 VanDerWaalsContact O-CB 3.31Å; Q694-L698 WeakPolarHBondContact O-CB 3.1Å; Q694-L698 PolarHBondContact O-N 3.06Å |
| 695 | L | 86.2 | Confident | 85 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 177 | -179.1 | 62 | 0 | 0 | 0 | 111.4 | H660 L664 L691 R692 H699 | H660-L695 HydrophobicContact CB-CD1 4.45Å; H660-L695 HydrophobicContact CB-CD2 3.94Å; L664-L695 HydrophobicContact CD1-CD2 4.48Å; L691-L695 VanDerWaalsContact O-CB 3.31Å; L691-L695 WeakPolarHBondContact O-CB 3.28Å; L691-L695 PolarHBondContact O-N 3.36Å; R692-L695 PolarHBondContact O-N 3.47Å; L695-H699 WeakPolarHBondContact O-CB 3.21Å; L695-H699 PolarHBondContact O-N 3.36Å |
| 696 | L | 88.3 | Confident | 86.2 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 176.2 | 180 | 58.7 | 0 | 0 | 0 | 112.6 | L87 V127 R692 D693 Q694 H699 N700 | L87-L696 HydrophobicContact CD1-CD2 4.21Å; L87-L696 HydrophobicContact CD2-CD2 3.77Å; L87-L696 HydrophobicContact CG-CD2 4.13Å; V127-L696 HydrophobicContact CG1-CD2 4.06Å; V127-L696 HydrophobicContact CG1-CG 4.49Å; R692-L696 WeakPolarHBondContact O-CB 3.32Å; R692-L696 PolarHBondContact O-N 2.93Å; D693-L696 PolarHBondContact O-N 3.46Å; Q694-L696 VanDerWaalsContact C-N 3.3Å; Q694-L696 PolarHBondContact O-N 3.38Å; L696-H699 PolarHBondContact O-N 3.31Å; L696-N700 WeakPolarHBondContact O-CB 3.12Å; L696-N700 PolarHBondContact O-N 3.37Å; L696-N700 PolarHBondContact O-ND2 2.88Å |
| 697 | L | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 174.3 | -76.8 | 168.9 | 0 | 0 | 0 | 111.5 | V127 T130 Y176 H179 D693 Q694 H699 N700 Q701 | V127-L697 HydrophobicContact CG1-CD2 4.27Å; V127-L697 HydrophobicContact CG1-CG 4.29Å; V127-L697 HydrophobicContact CG2-CD1 4.41Å; T130-L697 HydrophobicContact CG2-CD2 3.75Å; Y176-L697 HydrophobicContact CD1-CD1 3.56Å; Y176-L697 HydrophobicContact CE1-CD1 4.19Å; Y176-L697 HydrophobicContact CG-CD1 3.96Å; H179-L697 HydrophobicContact CB-CB 4.11Å; H179-L697 HydrophobicContact CB-CD1 4.19Å; H179-L697 HydrophobicContact CB-CD2 4.12Å; H179-L697 HydrophobicContact CB-CG 4.39Å; D693-L697 WeakPolarHBondContact O-CB 3.13Å; D693-L697 VanDerWaalsContact O-CG 3.29Å; D693-L697 WeakPolarHBondContact O-CG 3.31Å; D693-L697 PolarHBondContact O-N 2.98Å; Q694-L697 PolarHBondContact O-N 3.03Å; L697-H699 PolarHBondContact O-N 3.31Å; L697-N700 PolarHBondContact O-N 3.4Å; L697-Q701 WeakPolarHBondContact O-CG 3.31Å; L697-Q701 PolarHBondContact O-N 2.68Å |
| 698 | L | 90 | Very high | 87.7 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 51% | 0.508 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -42 | 176.3 | -177.4 | 64.7 | 0 | 0 | 0 | 111.7 | Q694 Q701 L702 | Q694-L698 VanDerWaalsContact O-CB 3.31Å; Q694-L698 WeakPolarHBondContact O-CB 3.1Å; Q694-L698 PolarHBondContact O-N 3.06Å; L698-Q701 PolarHBondContact O-N 2.8Å; L698-L702 VanDerWaalsContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CB 3.18Å; L698-L702 PolarHBondContact O-N 2.56Å |
| 699 | H | 88.7 | Confident | 88.3 | Confident | 32 Ų | 32 | 52 Ų | 52 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176 | 179.2 | 78.6 | 0 | 0 | 0 | 112 | L695 L696 L697 Q701 L702 L703 | L695-H699 WeakPolarHBondContact O-CB 3.21Å; L695-H699 PolarHBondContact O-N 3.36Å; L696-H699 PolarHBondContact O-N 3.31Å; L697-H699 PolarHBondContact O-N 3.31Å; H699-Q701 PolarHBondContact O-N 2.78Å; H699-L702 PolarHBondContact O-N 2.83Å; H699-L703 VanDerWaalsContact CD2-CD1 3.46Å; H699-L703 WeakPolarHBondContact CD2-CD1 3.46Å; H699-L703 VanDerWaalsContact NE2-CD1 3.34Å; H699-L703 WeakPolarHBondContact NE2-CD1 3.33Å; H699-L703 WeakPolarHBondContact O-CB 3.31Å; H699-L703 WeakPolarHBondContact O-CD1 3.27Å; H699-L703 VanDerWaalsContact O-CG 3.27Å; H699-L703 WeakPolarHBondContact O-CG 3.34Å; H699-L703 PolarHBondContact O-N 3.35Å |
| 700 | N | 89.2 | Confident | 88.6 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.2 | -81.9 | -44 | 0 | 0 | 0 | 112.5 | T131 L134 L696 L697 L703 Y704 | T131-N700 PolarHBondContact OG1-ND2 2.69Å; L134-N700 HydrophobicContact CD1-CB 4.07Å; L696-N700 WeakPolarHBondContact O-CB 3.12Å; L696-N700 PolarHBondContact O-N 3.37Å; L696-N700 PolarHBondContact O-ND2 2.88Å; L697-N700 PolarHBondContact O-N 3.4Å; N700-L703 PolarHBondContact O-N 3.19Å; N700-Y704 PolarHBondContact O-N 3.12Å; N700-Y704 VanDerWaalsContact O-N 3.1Å |
| 701 | Q | 90.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 172.2 | -73.7 | -175.7 | -31.6 | 0 | 0 | 112.1 | L134 H179 L697 L698 H699 L703 Y704 E705 | L134-Q701 HydrophobicContact CD1-CG 4.01Å; H179-Q701 PolarHBondContact ND1-OE1 2.9Å; H179-Q701 PolarHBondContact O-NE2 2.99Å; L697-Q701 WeakPolarHBondContact O-CG 3.31Å; L697-Q701 PolarHBondContact O-N 2.68Å; L698-Q701 PolarHBondContact O-N 2.8Å; H699-Q701 PolarHBondContact O-N 2.78Å; Q701-L703 PolarHBondContact O-N 2.82Å; Q701-Y704 WeakPolarHBondContact O-CA 3.34Å; Q701-Y704 WeakPolarHBondContact O-CB 3.49Å; Q701-Y704 PolarHBondContact O-N 3.36Å; Q701-E705 WeakPolarHBondContact O-CG 3.41Å; Q701-E705 PolarHBondContact O-N 2.8Å |
| 702 | L | 89.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 44.8 Ų | 44.8 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -32.4 | 177 | -174.7 | 55.7 | 0 | 0 | 0 | 112.2 | I653 L698 H699 R706 | I653-L702 HydrophobicContact CD1-CD1 4.47Å; I653-L702 HydrophobicContact CD1-CD2 3.8Å; I653-L702 HydrophobicContact CD1-CG 3.98Å; I653-L702 HydrophobicContact CG1-CD2 3.81Å; I653-L702 HydrophobicContact CG2-CD2 3.91Å; L698-L702 VanDerWaalsContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CB 3.18Å; L698-L702 PolarHBondContact O-N 2.56Å; H699-L702 PolarHBondContact O-N 2.83Å; L702-R706 VanDerWaalsContact O-CB 3.31Å; L702-R706 WeakPolarHBondContact O-CB 3.23Å; L702-R706 PolarHBondContact O-N 3.01Å |
| 703 | L | 89 | Confident | 89.3 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -34 | 171.2 | -74.9 | 163.4 | 0 | 0 | 0 | 113.2 | R98 H699 N700 Q701 F707 | R98-L703 WeakPolarHBondContact CD-O 3.42Å; H699-L703 VanDerWaalsContact CD2-CD1 3.46Å; H699-L703 WeakPolarHBondContact CD2-CD1 3.46Å; H699-L703 VanDerWaalsContact NE2-CD1 3.34Å; H699-L703 WeakPolarHBondContact NE2-CD1 3.33Å; H699-L703 WeakPolarHBondContact O-CB 3.31Å; H699-L703 WeakPolarHBondContact O-CD1 3.27Å; H699-L703 VanDerWaalsContact O-CG 3.27Å; H699-L703 WeakPolarHBondContact O-CG 3.34Å; H699-L703 PolarHBondContact O-N 3.35Å; N700-L703 PolarHBondContact O-N 3.19Å; Q701-L703 PolarHBondContact O-N 2.82Å; L703-F707 WeakPolarHBondContact O-CB 3.49Å; L703-F707 PolarHBondContact O-N 2.85Å |
| 704 | Y | 91.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.5 | -44.1 | 171 | 174.5 | -104.4 | 0 | 0 | 0 | 111.8 | L134 I137 T138 A186 R190 N700 Q701 R706 F707 K708 | L134-Y704 HydrophobicContact CD2-CD1 4.12Å; L134-Y704 HydrophobicContact CD2-CD2 4.31Å; L134-Y704 HydrophobicContact CD2-CG 3.85Å; I137-Y704 HydrophobicContact CB-CE2 4.2Å; I137-Y704 HydrophobicContact CG2-CE2 3.58Å; I137-Y704 WeakPolarHBondContact CG2-OH 3.45Å; T138-Y704 HydrophobicContact CG2-CD2 3.89Å; T138-Y704 HydrophobicContact CG2-CE2 4.37Å; A186-Y704 HydrophobicContact CB-CE1 3.93Å; R190-Y704 PolarHBondContact NH2-OH 3.29Å; N700-Y704 PolarHBondContact O-N 3.12Å; N700-Y704 VanDerWaalsContact O-N 3.1Å; Q701-Y704 WeakPolarHBondContact O-CA 3.34Å; Q701-Y704 WeakPolarHBondContact O-CB 3.49Å; Q701-Y704 PolarHBondContact O-N 3.36Å; Y704-R706 VanDerWaalsContact C-N 3.31Å; Y704-R706 PolarHBondContact O-N 3.12Å; Y704-F707 WeakPolarHBondContact O-CB 3.2Å; Y704-F707 PolarHBondContact O-N 2.89Å; Y704-K708 HydrophobicContact CE1-CD 3.79Å; Y704-K708 HydrophobicContact CE1-CG 4.14Å; Y704-K708 HydrophobicContact CE2-CG 4.41Å; Y704-K708 PolarHBondContact O-N 3.03Å |
| 705 | E | 89.2 | Confident | 89.5 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 172.9 | -77 | -53.6 | 123 | 0 | 0 | 112.2 | Q701 K708 R709 | Q701-E705 WeakPolarHBondContact O-CG 3.41Å; Q701-E705 PolarHBondContact O-N 2.8Å; E705-K708 VanDerWaalsContact CD-CE 3.46Å; E705-K708 WeakPolarHBondContact OE1-CE 3.44Å; E705-K708 IonicContact OE1-NZ 2.7Å; E705-K708 PolarHBondContact OE1-NZ 2.81Å; E705-K708 WeakPolarHBondContact OE2-CE 3.42Å; E705-K708 IonicContact OE2-NZ 2.68Å; E705-K708 PolarHBondContact OE2-NZ 3.29Å; E705-R709 WeakPolarHBondContact O-CG 3.43Å; E705-R709 PolarHBondContact O-N 2.76Å; E705-R709 VanDerWaalsContact O-N 3.16Å; E705-R709 PolarHBondContact O-NH1 3.29Å; E705-R709 IonicContact OE2-CZ 3.84Å; E705-R709 IonicContact OE2-NH1 3.98Å; E705-R709 PolarHBondContact OE2-NH1 2.83Å; E705-R709 IonicContact OE2-NH2 2.61Å; E705-R709 PolarHBondContact OE2-NH2 3.16Å |
| 706 | R | 88.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 25% | 0.253 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 170.1 | 178.8 | -175.9 | 169 | -150.5 | -1.7 | 111.3 | M646 D650 L702 Y704 K708 R709 Q710 | M646-R706 VanDerWaalsContact CE-CD 3.49Å; M646-R706 HydrophobicContact CE-CG 3.71Å; M646-R706 VanDerWaalsContact CE-NE 3.33Å; M646-R706 HydrophobicContact SD-CG 3.76Å; M646-R706 PolarHBondContact SD-NE 2.83Å; D650-R706 WeakPolarHBondContact OD1-CD 3.41Å; D650-R706 IonicContact OD1-CZ 3.29Å; D650-R706 IonicContact OD1-NE 3.75Å; D650-R706 PolarHBondContact OD1-NE 2.67Å; D650-R706 IonicContact OD1-NH1 2.66Å; D650-R706 PolarHBondContact OD1-NH1 3.1Å; D650-R706 IonicContact OD1-NH2 3.69Å; D650-R706 IonicContact OD2-CZ 2.7Å; D650-R706 IonicContact OD2-NE 3.88Å; D650-R706 IonicContact OD2-NH1 3.51Å; D650-R706 PolarHBondContact OD2-NH1 2.74Å; D650-R706 VanDerWaalsContact OD2-NH1 3.12Å; D650-R706 IonicContact OD2-NH2 2.83Å; D650-R706 PolarHBondContact OD2-NH2 2.66Å; L702-R706 VanDerWaalsContact O-CB 3.31Å; L702-R706 WeakPolarHBondContact O-CB 3.23Å; L702-R706 PolarHBondContact O-N 3.01Å; Y704-R706 VanDerWaalsContact C-N 3.31Å; Y704-R706 PolarHBondContact O-N 3.12Å; R706-K708 PolarHBondContact O-N 2.87Å; R706-R709 PolarHBondContact O-N 2.85Å; R706-Q710 WeakPolarHBondContact O-CB 3.49Å; R706-Q710 PolarHBondContact O-N 3.31Å |
| 707 | F | 90.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 179.3 | 169 | -93.4 | 0 | 0 | 0 | 111.9 | R98 T138 V256 L703 Y704 Q710 Q711 | R98-F707 HydrophobicContact CB-CD2 4.15Å; R98-F707 HydrophobicContact CG-CB 4.08Å; R98-F707 HydrophobicContact CG-CD2 3.98Å; R98-F707 HydrophobicContact CG-CG 4.28Å; T138-F707 HydrophobicContact CG2-CB 4.48Å; T138-F707 HydrophobicContact CG2-CD1 3.69Å; T138-F707 HydrophobicContact CG2-CD2 4.34Å; T138-F707 HydrophobicContact CG2-CE1 3.89Å; T138-F707 HydrophobicContact CG2-CE2 4.5Å; T138-F707 HydrophobicContact CG2-CG 3.92Å; T138-F707 HydrophobicContact CG2-CZ 4.29Å; V256-F707 HydrophobicContact CG2-CE1 4.41Å; L703-F707 WeakPolarHBondContact O-CB 3.49Å; L703-F707 PolarHBondContact O-N 2.85Å; Y704-F707 WeakPolarHBondContact O-CB 3.2Å; Y704-F707 PolarHBondContact O-N 2.89Å; F707-Q710 PolarHBondContact O-N 3.44Å; F707-Q711 HydrophobicContact CE1-CG 4.13Å; F707-Q711 HydrophobicContact CE2-CG 4.45Å; F707-Q711 HydrophobicContact CZ-CG 4.11Å; F707-Q711 WeakPolarHBondContact O-CG 3.31Å; F707-Q711 PolarHBondContact O-N 2.78Å |
| 708 | K | 89.7 | Confident | 89.9 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.7 | -54.8 | 172.6 | -75.2 | -168.5 | -65.3 | 179 | 0 | 110.8 | T267 E268 Y704 E705 R706 Q710 Q711 H712 | T267-K708 PolarHBondContact O-NZ 3.39Å; E268-K708 IonicContact OE1-NZ 2.68Å; E268-K708 PolarHBondContact OE1-NZ 3.41Å; E268-K708 IonicContact OE2-NZ 2.99Å; Y704-K708 HydrophobicContact CE1-CD 3.79Å; Y704-K708 HydrophobicContact CE1-CG 4.14Å; Y704-K708 HydrophobicContact CE2-CG 4.41Å; Y704-K708 PolarHBondContact O-N 3.03Å; E705-K708 VanDerWaalsContact CD-CE 3.46Å; E705-K708 WeakPolarHBondContact OE1-CE 3.44Å; E705-K708 IonicContact OE1-NZ 2.7Å; E705-K708 PolarHBondContact OE1-NZ 2.81Å; E705-K708 WeakPolarHBondContact OE2-CE 3.42Å; E705-K708 IonicContact OE2-NZ 2.68Å; E705-K708 PolarHBondContact OE2-NZ 3.29Å; R706-K708 PolarHBondContact O-N 2.87Å; K708-Q710 VanDerWaalsContact C-N 3.28Å; K708-Q710 PolarHBondContact O-N 2.88Å; K708-Q711 WeakPolarHBondContact O-CB 3.33Å; K708-Q711 PolarHBondContact O-N 3.23Å; K708-H712 PolarHBondContact O-CD2 3.24Å; K708-H712 PolarHBondContact O-N 3.29Å; K708-H712 VanDerWaalsContact O-N 3.14Å |
| 709 | R | 88.7 | Confident | 90 | Very high | 148 Ų | 148 | 47.3 Ų | 47.3 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.2 | -37.6 | 178.7 | -74.5 | 169.4 | -173.8 | 69.4 | -0.9 | 112.8 | E705 R706 Q711 H712 A713 | E705-R709 WeakPolarHBondContact O-CG 3.43Å; E705-R709 PolarHBondContact O-N 2.76Å; E705-R709 VanDerWaalsContact O-N 3.16Å; E705-R709 PolarHBondContact O-NH1 3.29Å; E705-R709 IonicContact OE2-CZ 3.84Å; E705-R709 IonicContact OE2-NH1 3.98Å; E705-R709 PolarHBondContact OE2-NH1 2.83Å; E705-R709 IonicContact OE2-NH2 2.61Å; E705-R709 PolarHBondContact OE2-NH2 3.16Å; R706-R709 PolarHBondContact O-N 2.85Å; R709-Q711 VanDerWaalsContact C-N 3.34Å; R709-Q711 PolarHBondContact O-N 3.41Å; R709-H712 PolarHBondContact O-N 3.19Å; R709-A713 PolarHBondContact O-N 3.01Å |
| 710 | Q | 89 | Confident | 90.2 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -34.2 | 175.1 | -174.5 | 64.6 | 3.7 | 0 | 0 | 112.2 | R706 F707 K708 A713 L714 | R706-Q710 WeakPolarHBondContact O-CB 3.49Å; R706-Q710 PolarHBondContact O-N 3.31Å; F707-Q710 PolarHBondContact O-N 3.44Å; K708-Q710 VanDerWaalsContact C-N 3.28Å; K708-Q710 PolarHBondContact O-N 2.88Å; Q710-A713 PolarHBondContact O-N 3.06Å; Q710-L714 HydrophobicContact CG-CD1 4.26Å; Q710-L714 WeakPolarHBondContact O-CB 3.18Å; Q710-L714 VanDerWaalsContact O-CG 3.25Å; Q710-L714 WeakPolarHBondContact O-CG 3.33Å; Q710-L714 PolarHBondContact O-N 2.99Å |
| 711 | Q | 91 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 172.4 | -61.1 | -41.2 | -73.3 | 0 | 0 | 111.7 | H253 V256 F707 K708 R709 A713 L714 R715 | H253-Q711 HydrophobicContact CB-CB 3.84Å; H253-Q711 HydrophobicContact CB-CG 4.45Å; H253-Q711 WeakPolarHBondContact CB-O 3.43Å; V256-Q711 HydrophobicContact CB-CB 4.18Å; V256-Q711 HydrophobicContact CB-CG 4.1Å; V256-Q711 HydrophobicContact CG1-CB 3.87Å; V256-Q711 HydrophobicContact CG1-CG 3.93Å; V256-Q711 HydrophobicContact CG2-CG 4.06Å; F707-Q711 HydrophobicContact CE1-CG 4.13Å; F707-Q711 HydrophobicContact CE2-CG 4.45Å; F707-Q711 HydrophobicContact CZ-CG 4.11Å; F707-Q711 WeakPolarHBondContact O-CG 3.31Å; F707-Q711 PolarHBondContact O-N 2.78Å; K708-Q711 WeakPolarHBondContact O-CB 3.33Å; K708-Q711 PolarHBondContact O-N 3.23Å; R709-Q711 VanDerWaalsContact C-N 3.34Å; R709-Q711 PolarHBondContact O-N 3.41Å; Q711-A713 PolarHBondContact O-N 2.96Å; Q711-L714 PolarHBondContact O-N 3.17Å; Q711-R715 PolarHBondContact O-N 2.81Å |
| 712 | H | 89.5 | Confident | 90.5 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 172.4 | -67.4 | -81.8 | 0 | 0 | 0 | 111.4 | I257 K708 R709 L714 R715 N716 | I257-H712 HydrophobicContact CD1-CB 4.37Å; K708-H712 PolarHBondContact O-CD2 3.24Å; K708-H712 PolarHBondContact O-N 3.29Å; K708-H712 VanDerWaalsContact O-N 3.14Å; R709-H712 PolarHBondContact O-N 3.19Å; H712-L714 PolarHBondContact O-N 3.17Å; H712-R715 PolarHBondContact O-N 3.43Å; H712-N716 WeakPolarHBondContact O-CB 3.47Å; H712-N716 PolarHBondContact O-N 2.9Å; H712-N716 PolarHBondContact O-OD1 3.18Å |
| 713 | A | 88.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R709 Q710 Q711 R717 | R709-A713 PolarHBondContact O-N 3.01Å; Q710-A713 PolarHBondContact O-N 3.06Å; Q711-A713 PolarHBondContact O-N 2.96Å; A713-R717 VanDerWaalsContact O-CB 3.27Å; A713-R717 WeakPolarHBondContact O-CB 3.43Å; A713-R717 PolarHBondContact O-N 3.24Å |
| 714 | L | 89.8 | Confident | 91 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.8 | -75 | 170.3 | 0 | 0 | 0 | 112.2 | Q710 Q711 H712 R717 R718 | Q710-L714 HydrophobicContact CG-CD1 4.26Å; Q710-L714 WeakPolarHBondContact O-CB 3.18Å; Q710-L714 VanDerWaalsContact O-CG 3.25Å; Q710-L714 WeakPolarHBondContact O-CG 3.33Å; Q710-L714 PolarHBondContact O-N 2.99Å; Q711-L714 PolarHBondContact O-N 3.17Å; H712-L714 PolarHBondContact O-N 3.17Å; L714-R717 PolarHBondContact O-N 3.12Å; L714-R718 PolarHBondContact O-N 3.18Å |
| 715 | R | 90.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.9 | -175.3 | 174.6 | 166.6 | -86 | 10.7 | 111.1 | H253 D254 I257 E272 Q711 H712 R717 R718 L719 | H253-R715 HydrophobicContact CB-CB 4.22Å; D254-R715 IonicContact OD1-NE 3.25Å; I257-R715 HydrophobicContact CD1-CB 3.74Å; I257-R715 VanDerWaalsContact CD1-CD 3.44Å; I257-R715 HydrophobicContact CD1-CG 4.22Å; E272-R715 VanDerWaalsContact CD-NH2 3.26Å; E272-R715 IonicContact OE1-CZ 2.66Å; E272-R715 VanDerWaalsContact OE1-CZ 3.3Å; E272-R715 IonicContact OE1-NH1 3.71Å; E272-R715 PolarHBondContact OE1-NH1 2.7Å; E272-R715 IonicContact OE1-NH2 3.75Å; E272-R715 PolarHBondContact OE1-NH2 3.4Å; E272-R715 IonicContact OE2-CZ 3.3Å; E272-R715 IonicContact OE2-NH1 2.68Å; E272-R715 PolarHBondContact OE2-NH1 2.69Å; E272-R715 IonicContact OE2-NH2 3.01Å; E272-R715 PolarHBondContact OE2-NH2 2.81Å; Q711-R715 PolarHBondContact O-N 2.81Å; H712-R715 PolarHBondContact O-N 3.43Å; R715-R717 PolarHBondContact O-N 2.85Å; R715-R718 CarbonylContact O-C 3.57Å; R715-R718 WeakPolarHBondContact O-CB 3.46Å; R715-R718 PolarHBondContact O-N 3.15Å; R715-R718 VanDerWaalsContact O-N 3.11Å; R715-L719 HydrophobicContact CG-CD1 4.17Å; R715-L719 HydrophobicContact CG-CG 4.31Å; R715-L719 WeakPolarHBondContact O-CG 3.46Å; R715-L719 PolarHBondContact O-N 2.67Å |
| 716 | N | 90.6 | Very high | 91.4 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 180 | -68.7 | 4.7 | 0 | 0 | 0 | 111.3 | H712 R718 L719 L720 | H712-N716 WeakPolarHBondContact O-CB 3.47Å; H712-N716 PolarHBondContact O-N 2.9Å; H712-N716 PolarHBondContact O-OD1 3.18Å; N716-R718 VanDerWaalsContact C-N 3.33Å; N716-R718 PolarHBondContact O-N 2.67Å; N716-L719 PolarHBondContact O-N 2.83Å; N716-L720 VanDerWaalsContact O-CB 3.28Å; N716-L720 WeakPolarHBondContact O-CB 3.19Å; N716-L720 PolarHBondContact O-N 3.5Å |
| 717 | R | 91.8 | Very high | 91.7 | Very high | 143 Ų | 143 | 72.2 Ų | 72.2 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 171.6 | -174.1 | 176.5 | 67.9 | 152.8 | -1.4 | 112.2 | A713 L714 R715 R721 | A713-R717 VanDerWaalsContact O-CB 3.27Å; A713-R717 WeakPolarHBondContact O-CB 3.43Å; A713-R717 PolarHBondContact O-N 3.24Å; L714-R717 PolarHBondContact O-N 3.12Å; R715-R717 PolarHBondContact O-N 2.85Å; R717-R721 WeakPolarHBondContact O-CG 3.43Å; R717-R721 PolarHBondContact O-N 2.83Å |
| 718 | R | 92.4 | Very high | 91.9 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 175.6 | -168.4 | -165.8 | 65.6 | -179.4 | -7.2 | 111.7 | E251 H253 D254 L714 R715 N716 K722 | E251-R718 WeakPolarHBondContact OE1-CD 3.42Å; E251-R718 IonicContact OE1-CZ 2.67Å; E251-R718 IonicContact OE1-NE 2.67Å; E251-R718 IonicContact OE1-NH1 2.7Å; E251-R718 PolarHBondContact OE1-NH1 3.18Å; H253-R718 VanDerWaalsContact NE2-CZ 3.35Å; H253-R718 PolarHBondContact NE2-NH1 3.09Å; H253-R718 VanDerWaalsContact NE2-NH1 3.18Å; D254-R718 IonicContact OD1-CZ 3.43Å; D254-R718 IonicContact OD1-NH1 3.81Å; D254-R718 IonicContact OD1-NH2 3.7Å; D254-R718 PolarHBondContact OD1-NH2 3.01Å; D254-R718 IonicContact OD2-CZ 3.38Å; D254-R718 IonicContact OD2-NH1 3.43Å; D254-R718 PolarHBondContact OD2-NH1 2.7Å; D254-R718 IonicContact OD2-NH2 3.89Å; D254-R718 PolarHBondContact OD2-NH2 3.29Å; L714-R718 PolarHBondContact O-N 3.18Å; R715-R718 CarbonylContact O-C 3.57Å; R715-R718 WeakPolarHBondContact O-CB 3.46Å; R715-R718 PolarHBondContact O-N 3.15Å; R715-R718 VanDerWaalsContact O-N 3.11Å; N716-R718 VanDerWaalsContact C-N 3.33Å; N716-R718 PolarHBondContact O-N 2.67Å; R718-K722 PolarHBondContact O-N 2.95Å |
| 719 | L | 90.5 | Very high | 92.2 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.5 | -72 | -179.7 | 0 | 0 | 0 | 111.9 | R715 N716 R721 K722 V723 | R715-L719 HydrophobicContact CG-CD1 4.17Å; R715-L719 HydrophobicContact CG-CG 4.31Å; R715-L719 WeakPolarHBondContact O-CG 3.46Å; R715-L719 PolarHBondContact O-N 2.67Å; N716-L719 PolarHBondContact O-N 2.83Å; L719-R721 VanDerWaalsContact C-N 3.28Å; L719-R721 PolarHBondContact O-N 3.38Å; L719-K722 CarbonylContact O-C 3.37Å; L719-K722 WeakPolarHBondContact O-CA 3.43Å; L719-K722 WeakPolarHBondContact O-CB 3.37Å; L719-K722 PolarHBondContact O-N 3.07Å; L719-V723 WeakPolarHBondContact O-CG2 3.3Å; L719-V723 PolarHBondContact O-N 3.16Å |
| 720 | L | 93.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 78.3 Ų | 78.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.8 | -42.5 | 175.8 | 179.6 | 60 | 0 | 0 | 0 | 111.5 | N716 K722 V723 I724 | N716-L720 VanDerWaalsContact O-CB 3.28Å; N716-L720 WeakPolarHBondContact O-CB 3.19Å; N716-L720 PolarHBondContact O-N 3.5Å; L720-K722 VanDerWaalsContact C-N 3.35Å; L720-K722 PolarHBondContact O-N 3.45Å; L720-V723 PolarHBondContact O-N 3.26Å; L720-I724 HydrophobicContact CD1-CD1 4.02Å; L720-I724 HydrophobicContact CD1-CG1 4.25Å; L720-I724 HydrophobicContact CG-CD1 3.91Å; L720-I724 WeakPolarHBondContact O-CB 3.3Å; L720-I724 VanDerWaalsContact O-CG1 3.29Å; L720-I724 WeakPolarHBondContact O-CG1 3.38Å; L720-I724 PolarHBondContact O-N 2.65Å |
| 721 | R | 93.3 | Very high | 92.7 | Very high | 139 Ų | 139 | 82 Ų | 82 | 53% | 0.525 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 172.7 | -70.6 | -173.8 | -60.3 | -128.7 | 4.7 | 113.4 | R717 L719 K725 | R717-R721 WeakPolarHBondContact O-CG 3.43Å; R717-R721 PolarHBondContact O-N 2.83Å; L719-R721 VanDerWaalsContact C-N 3.28Å; L719-R721 PolarHBondContact O-N 3.38Å; R721-K725 WeakPolarHBondContact O-CB 3.5Å; R721-K725 PolarHBondContact O-N 2.97Å; R721-K725 VanDerWaalsContact O-N 3.08Å |
| 722 | K | 94.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 87.2 Ų | 87.2 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 172.6 | -70.9 | -173.6 | 178.4 | -173.4 | 0 | 111.5 | R718 L719 L720 K725 A726 | R718-K722 PolarHBondContact O-N 2.95Å; L719-K722 CarbonylContact O-C 3.37Å; L719-K722 WeakPolarHBondContact O-CA 3.43Å; L719-K722 WeakPolarHBondContact O-CB 3.37Å; L719-K722 PolarHBondContact O-N 3.07Å; L720-K722 VanDerWaalsContact C-N 3.35Å; L720-K722 PolarHBondContact O-N 3.45Å; K722-K725 PolarHBondContact O-N 3.45Å; K722-A726 WeakPolarHBondContact O-CB 3.48Å; K722-A726 PolarHBondContact O-N 3.24Å |
| 723 | V | 93.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 88.4 Ų | 88.4 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111.1 | L719 L720 K725 A726 A727 | L719-V723 WeakPolarHBondContact O-CG2 3.3Å; L719-V723 PolarHBondContact O-N 3.16Å; L720-V723 PolarHBondContact O-N 3.26Å; V723-K725 VanDerWaalsContact C-N 3.34Å; V723-K725 PolarHBondContact O-N 3.27Å; V723-A726 PolarHBondContact O-N 3.42Å; V723-A727 WeakPolarHBondContact O-CB 3.45Å; V723-A727 PolarHBondContact O-N 2.96Å |
| 724 | I | 94.5 | Very high | 93.4 | Very high | 89 Ų | 89 | 88.5 Ų | 88.5 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174.9 | -68.3 | 165.5 | 0 | 0 | 0 | 110.9 | L720 A727 A728 | L720-I724 HydrophobicContact CD1-CD1 4.02Å; L720-I724 HydrophobicContact CD1-CG1 4.25Å; L720-I724 HydrophobicContact CG-CD1 3.91Å; L720-I724 WeakPolarHBondContact O-CB 3.3Å; L720-I724 VanDerWaalsContact O-CG1 3.29Å; L720-I724 WeakPolarHBondContact O-CG1 3.38Å; L720-I724 PolarHBondContact O-N 2.65Å; I724-A727 PolarHBondContact O-N 3.06Å; I724-A728 WeakPolarHBondContact O-CB 3.43Å; I724-A728 PolarHBondContact O-N 3.39Å |
| 725 | K | 94.6 | Very high | 93.7 | Very high | 148 Ų | 148 | 89.6 Ų | 89.6 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 175.7 | -174 | 175.2 | 179.5 | -179.9 | 0 | 112.5 | R721 K722 V723 L729 | R721-K725 WeakPolarHBondContact O-CB 3.5Å; R721-K725 PolarHBondContact O-N 2.97Å; R721-K725 VanDerWaalsContact O-N 3.08Å; K722-K725 PolarHBondContact O-N 3.45Å; V723-K725 VanDerWaalsContact C-N 3.34Å; V723-K725 PolarHBondContact O-N 3.27Å; K725-L729 HydrophobicContact CG-CD1 4.4Å; K725-L729 WeakPolarHBondContact O-CG 3.24Å; K725-L729 PolarHBondContact O-N 3.34Å |
| 726 | A | 95.2 | Very high | 93.9 | Very high | 54 Ų | 54 | 92.2 Ų | 92.2 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.2 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K722 V723 A728 L729 E730 | K722-A726 WeakPolarHBondContact O-CB 3.48Å; K722-A726 PolarHBondContact O-N 3.24Å; V723-A726 PolarHBondContact O-N 3.42Å; A726-A728 PolarHBondContact O-N 3.31Å; A726-L729 CarbonylContact O-C 3.6Å; A726-L729 PolarHBondContact O-N 2.69Å; A726-L729 VanDerWaalsContact O-N 3.12Å; A726-E730 WeakPolarHBondContact O-CB 3.49Å; A726-E730 PolarHBondContact O-N 3.28Å |
| 727 | A | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 94.9 Ų | 94.9 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V723 I724 L729 E730 E731 | V723-A727 WeakPolarHBondContact O-CB 3.45Å; V723-A727 PolarHBondContact O-N 2.96Å; I724-A727 PolarHBondContact O-N 3.06Å; A727-L729 VanDerWaalsContact C-N 3.32Å; A727-L729 PolarHBondContact O-N 3.17Å; A727-E730 PolarHBondContact O-N 3.42Å; A727-E731 WeakPolarHBondContact O-CB 3.29Å; A727-E731 PolarHBondContact O-N 3.21Å |
| 728 | A | 95.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 91.9 Ų | 91.9 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I724 A726 H732 | I724-A728 WeakPolarHBondContact O-CB 3.43Å; I724-A728 PolarHBondContact O-N 3.39Å; A726-A728 PolarHBondContact O-N 3.31Å; A728-H732 WeakPolarHBondContact O-CB 3.49Å; A728-H732 PolarHBondContact O-N 3.38Å; A728-H732 VanDerWaalsContact O-N 3.09Å |
| 729 | L | 95.4 | Very high | 94.7 | Very high | 97 Ų | 97 | 92.1 Ų | 92.1 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.6 | -33.5 | 172.4 | -70.9 | 169.8 | 0 | 0 | 0 | 112 | K725 A726 A727 N733 | K725-L729 HydrophobicContact CG-CD1 4.4Å; K725-L729 WeakPolarHBondContact O-CG 3.24Å; K725-L729 PolarHBondContact O-N 3.34Å; A726-L729 CarbonylContact O-C 3.6Å; A726-L729 PolarHBondContact O-N 2.69Å; A726-L729 VanDerWaalsContact O-N 3.12Å; A727-L729 VanDerWaalsContact C-N 3.32Å; A727-L729 PolarHBondContact O-N 3.17Å; L729-N733 VanDerWaalsContact O-CB 3.3Å; L729-N733 WeakPolarHBondContact O-CB 3.43Å; L729-N733 PolarHBondContact O-N 3.05Å; L729-N733 PolarHBondContact O-ND2 3.45Å; L729-N733 VanDerWaalsContact O-ND2 3.09Å |
| 730 | E | 94 | Very high | 94.9 | Very high | 143 Ų | 143 | 94.9 Ų | 94.9 | 67% | 0.668 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.9 | -42.2 | 174.8 | -175 | 167.4 | -160.4 | 0 | 0 | 111.7 | A726 A727 N733 A734 | A726-E730 WeakPolarHBondContact O-CB 3.49Å; A726-E730 PolarHBondContact O-N 3.28Å; A727-E730 PolarHBondContact O-N 3.42Å; E730-N733 CarbonylContact O-C 3.55Å; E730-N733 PolarHBondContact O-N 3.02Å; E730-A734 WeakPolarHBondContact O-CB 3.43Å; E730-A734 PolarHBondContact O-N 2.92Å |
| 731 | E | 93.7 | Very high | 95.1 | Very high | 146 Ų | 146 | 94.8 Ų | 94.8 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 172.1 | -177.2 | 176.3 | -164.5 | 0 | 0 | 111.3 | A727 N733 A734 A735 | A727-E731 WeakPolarHBondContact O-CB 3.29Å; A727-E731 PolarHBondContact O-N 3.21Å; E731-N733 VanDerWaalsContact C-N 3.32Å; E731-N733 PolarHBondContact O-N 3.12Å; E731-A734 WeakPolarHBondContact O-CB 3.3Å; E731-A734 PolarHBondContact O-N 3.15Å; E731-A734 VanDerWaalsContact O-N 3.17Å; E731-A735 WeakPolarHBondContact O-CB 3.27Å; E731-A735 PolarHBondContact O-N 2.92Å |
| 732 | H | 93.6 | Very high | 95.2 | Very high | 109 Ų | 109 | 89.6 Ų | 89.6 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 172.8 | -177.6 | -82.7 | 0 | 0 | 0 | 112 | A728 A735 M736 | A728-H732 WeakPolarHBondContact O-CB 3.49Å; A728-H732 PolarHBondContact O-N 3.38Å; A728-H732 VanDerWaalsContact O-N 3.09Å; H732-A735 PolarHBondContact O-N 3.29Å; H732-M736 VanDerWaalsContact CE1-SD 3.53Å; H732-M736 WeakPolarHBondContact O-CG 3.3Å; H732-M736 PolarHBondContact O-N 2.65Å |
| 733 | N | 95.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 86.6 Ų | 86.6 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 175.8 | -73 | -26.6 | 0 | 0 | 0 | 112.8 | L729 E730 E731 M736 K737 | L729-N733 VanDerWaalsContact O-CB 3.3Å; L729-N733 WeakPolarHBondContact O-CB 3.43Å; L729-N733 PolarHBondContact O-N 3.05Å; L729-N733 PolarHBondContact O-ND2 3.45Å; L729-N733 VanDerWaalsContact O-ND2 3.09Å; E730-N733 CarbonylContact O-C 3.55Å; E730-N733 PolarHBondContact O-N 3.02Å; E731-N733 VanDerWaalsContact C-N 3.32Å; E731-N733 PolarHBondContact O-N 3.12Å; N733-M736 WeakPolarHBondContact OD1-CE 3.24Å; N733-K737 WeakPolarHBondContact O-CB 3.43Å; N733-K737 VanDerWaalsContact O-CG 3.25Å; N733-K737 WeakPolarHBondContact O-CG 3.32Å; N733-K737 PolarHBondContact O-N 2.85Å |
| 734 | A | 94.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 87.3 Ų | 87.3 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E730 E731 M736 K737 D738 | E730-A734 WeakPolarHBondContact O-CB 3.43Å; E730-A734 PolarHBondContact O-N 2.92Å; E731-A734 WeakPolarHBondContact O-CB 3.3Å; E731-A734 PolarHBondContact O-N 3.15Å; E731-A734 VanDerWaalsContact O-N 3.17Å; A734-M736 PolarHBondContact O-N 3.47Å; A734-K737 PolarHBondContact O-N 2.95Å; A734-D738 PolarHBondContact O-N 3.19Å |
| 735 | A | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 86.4 Ų | 86.4 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E731 H732 D738 Q739 | E731-A735 WeakPolarHBondContact O-CB 3.27Å; E731-A735 PolarHBondContact O-N 2.92Å; H732-A735 PolarHBondContact O-N 3.29Å; A735-D738 PolarHBondContact O-N 3.15Å; A735-Q739 WeakPolarHBondContact O-CB 3.22Å; A735-Q739 PolarHBondContact O-N 2.88Å |
| 736 | M | 95.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 81.5 Ų | 81.5 | 38% | 0.384 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 173.8 | -73.1 | -163 | -55.4 | 0 | 0 | 113.1 | H732 N733 A734 Q739 L740 | H732-M736 VanDerWaalsContact CE1-SD 3.53Å; H732-M736 WeakPolarHBondContact O-CG 3.3Å; H732-M736 PolarHBondContact O-N 2.65Å; N733-M736 WeakPolarHBondContact OD1-CE 3.24Å; A734-M736 PolarHBondContact O-N 3.47Å; M736-Q739 WeakPolarHBondContact O-CB 3.22Å; M736-Q739 PolarHBondContact O-N 3.31Å; M736-L740 WeakPolarHBondContact O-CG 3.41Å; M736-L740 PolarHBondContact O-N 3.07Å |
| 737 | K | 97.2 | Very high | 95.9 | Very high | 140 Ų | 140 | 83.3 Ų | 83.3 | 61% | 0.609 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 175 | -79.5 | 171.4 | 179.9 | 178.4 | 0 | 111.7 | N733 A734 L740 K741 | N733-K737 WeakPolarHBondContact O-CB 3.43Å; N733-K737 VanDerWaalsContact O-CG 3.25Å; N733-K737 WeakPolarHBondContact O-CG 3.32Å; N733-K737 PolarHBondContact O-N 2.85Å; A734-K737 PolarHBondContact O-N 2.95Å; K737-L740 PolarHBondContact O-N 2.8Å; K737-K741 WeakPolarHBondContact O-CG 3.25Å; K737-K741 PolarHBondContact O-N 3.04Å |
| 738 | D | 96.8 | Very high | 96 | Very high | 80 Ų | 80 | 85.6 Ų | 85.6 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 174.4 | -81.8 | 0.6 | 0 | 0 | 0 | 111 | A734 A735 L740 K741 L742 | A734-D738 PolarHBondContact O-N 3.19Å; A735-D738 PolarHBondContact O-N 3.15Å; D738-L740 VanDerWaalsContact C-N 3.29Å; D738-L740 PolarHBondContact O-N 3.01Å; D738-K741 CarbonylContact O-C 3.14Å; D738-K741 PolarHBondContact O-N 2.94Å; D738-K741 WeakPolarHBondContact OD1-CD 3.21Å; D738-K741 WeakPolarHBondContact OD1-CE 3.38Å; D738-K741 IonicContact OD1-NZ 3.33Å; D738-K741 PolarHBondContact OD1-NZ 3.33Å; D738-L742 WeakPolarHBondContact O-CB 3.4Å; D738-L742 WeakPolarHBondContact O-CD2 3.21Å; D738-L742 WeakPolarHBondContact O-CG 3.47Å; D738-L742 PolarHBondContact O-N 3.4Å |
| 739 | Q | 96.7 | Very high | 96 | Very high | 46 Ų | 46 | 88.5 Ų | 88.5 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -54.4 | -38.4 | 167.4 | 144.6 | 160.9 | -2.1 | 0 | 0 | 113.4 | S332 P333 A735 M736 L742 Q743 | S332-Q739 VanDerWaalsContact CB-CD 3.46Å; S332-Q739 PolarHBondContact OG-NE2 3.41Å; S332-Q739 PolarHBondContact OG-OE1 3.06Å; P333-Q739 HydrophobicContact CB-CB 4.07Å; P333-Q739 HydrophobicContact CB-CG 3.76Å; P333-Q739 HydrophobicContact CG-CB 3.84Å; P333-Q739 HydrophobicContact CG-CG 3.84Å; A735-Q739 WeakPolarHBondContact O-CB 3.22Å; A735-Q739 PolarHBondContact O-N 2.88Å; M736-Q739 WeakPolarHBondContact O-CB 3.22Å; M736-Q739 PolarHBondContact O-N 3.31Å; Q739-L742 VanDerWaalsContact O-CB 3.3Å; Q739-L742 WeakPolarHBondContact O-CB 3.1Å; Q739-L742 PolarHBondContact O-N 3.46Å; Q739-Q743 PolarHBondContact O-N 2.8Å; Q739-Q743 VanDerWaalsContact O-N 3.12Å |
| 740 | L | 96 | Very high | 96.1 | Very high | 109 Ų | 109 | 92.7 Ų | 92.7 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -74.6 | -43.3 | 175.5 | -69 | 168.6 | 0 | 0 | 0 | 111.8 | M736 K737 D738 L742 Q743 E744 | M736-L740 WeakPolarHBondContact O-CG 3.41Å; M736-L740 PolarHBondContact O-N 3.07Å; K737-L740 PolarHBondContact O-N 2.8Å; D738-L740 VanDerWaalsContact C-N 3.29Å; D738-L740 PolarHBondContact O-N 3.01Å; L740-L742 PolarHBondContact O-N 2.78Å; L740-Q743 PolarHBondContact O-N 3.38Å; L740-E744 WeakPolarHBondContact O-CB 3.28Å; L740-E744 PolarHBondContact O-N 3.12Å |
| 741 | K | 96.4 | Very high | 96.3 | Very high | 103 Ų | 103 | 92 Ų | 92 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.6 | -26.2 | 170.6 | -64.6 | 174.9 | -159.4 | 160.1 | 0 | 112.8 | K737 D738 | K737-K741 WeakPolarHBondContact O-CG 3.25Å; K737-K741 PolarHBondContact O-N 3.04Å; D738-K741 CarbonylContact O-C 3.14Å; D738-K741 PolarHBondContact O-N 2.94Å; D738-K741 WeakPolarHBondContact OD1-CD 3.21Å; D738-K741 WeakPolarHBondContact OD1-CE 3.38Å; D738-K741 IonicContact OD1-NZ 3.33Å; D738-K741 PolarHBondContact OD1-NZ 3.33Å |
| 742 | L | 96.2 | Very high | 96.5 | Very high | 30 Ų | 30 | 88.4 Ų | 88.4 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.3 | -70.5 | 169.7 | -62.5 | -146.7 | 0 | 0 | 0 | 106.1 | P333 S334 T335 R336 D738 Q739 L740 E744 K745 D746 | P333-L742 HydrophobicContact CB-CB 4.22Å; P333-L742 HydrophobicContact CB-CD1 4.3Å; P333-L742 HydrophobicContact CG-CD1 4.14Å; S334-L742 CarbonylContact C-O 3.57Å; S334-L742 VanDerWaalsContact C-O 3.25Å; S334-L742 CarbonylContact O-C 3.59Å; T335-L742 VanDerWaalsContact N-CA 3.32Å; T335-L742 PolarHBondContact N-O 3.1Å; R336-L742 HydrophobicContact CB-CD2 4.27Å; R336-L742 HydrophobicContact CG-CD2 3.75Å; D738-L742 WeakPolarHBondContact O-CB 3.4Å; D738-L742 WeakPolarHBondContact O-CD2 3.21Å; D738-L742 WeakPolarHBondContact O-CG 3.47Å; D738-L742 PolarHBondContact O-N 3.4Å; Q739-L742 VanDerWaalsContact O-CB 3.3Å; Q739-L742 WeakPolarHBondContact O-CB 3.1Å; Q739-L742 PolarHBondContact O-N 3.46Å; L740-L742 PolarHBondContact O-N 2.78Å; L742-E744 PolarHBondContact O-N 3.42Å; L742-E744 VanDerWaalsContact O-N 3.1Å; L742-K745 PolarHBondContact O-N 2.83Å; L742-D746 PolarHBondContact O-N 3.45Å |
| 743 | Q | 96.7 | Very high | 96.6 | Very high | 65 Ų | 65 | 86.1 Ų | 86.1 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.7 | -33.1 | -173.7 | -72.5 | 173.3 | -35.7 | 0 | 0 | 113.8 | S332 P333 S334 Q739 L740 K745 D746 I747 | S332-Q743 PolarHBondContact O-NE2 3.39Å; S332-Q743 VanDerWaalsContact O-NE2 3.1Å; P333-Q743 HydrophobicContact CB-CG 3.75Å; S334-Q743 WeakPolarHBondContact O-CA 3.49Å; S334-Q743 PolarHBondContact O-N 2.84Å; Q739-Q743 PolarHBondContact O-N 2.8Å; Q739-Q743 VanDerWaalsContact O-N 3.12Å; L740-Q743 PolarHBondContact O-N 3.38Å; Q743-K745 VanDerWaalsContact C-N 3.3Å; Q743-K745 PolarHBondContact O-N 2.99Å; Q743-D746 PolarHBondContact O-N 3.49Å; Q743-I747 WeakPolarHBondContact O-CG1 3.16Å; Q743-I747 PolarHBondContact O-N 2.95Å |
| 744 | E | 97.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 87.4 Ų | 87.4 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 174.9 | -169.6 | -176.1 | -176.1 | 0 | 0 | 112.5 | L740 L742 I747 Q748 | L740-E744 WeakPolarHBondContact O-CB 3.28Å; L740-E744 PolarHBondContact O-N 3.12Å; L742-E744 PolarHBondContact O-N 3.42Å; L742-E744 VanDerWaalsContact O-N 3.1Å; E744-I747 PolarHBondContact O-N 3.32Å; E744-Q748 VanDerWaalsContact O-CG 3.3Å; E744-Q748 WeakPolarHBondContact O-CG 3.4Å; E744-Q748 PolarHBondContact O-N 3.1Å; E744-Q748 PolarHBondContact OE1-NE2 3.33Å |
| 745 | K | 96.8 | Very high | 96.8 | Very high | 71 Ų | 71 | 91 Ų | 91 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73.1 | -36.3 | 177.4 | -73 | -154.3 | 177.9 | 63.1 | 0 | 113 | R336 L742 Q743 I747 Q748 M749 | R336-K745 WeakPolarHBondContact O-CD 3.41Å; R336-K745 WeakPolarHBondContact O-CE 3.41Å; R336-K745 PolarHBondContact O-NZ 3.22Å; L742-K745 PolarHBondContact O-N 2.83Å; Q743-K745 VanDerWaalsContact C-N 3.3Å; Q743-K745 PolarHBondContact O-N 2.99Å; K745-I747 VanDerWaalsContact C-N 3.31Å; K745-I747 PolarHBondContact O-N 3.33Å; K745-Q748 PolarHBondContact O-N 3.41Å; K745-Q748 VanDerWaalsContact O-N 3.16Å; K745-M749 WeakPolarHBondContact O-CG 3.19Å; K745-M749 PolarHBondContact O-N 2.91Å |
| 746 | D | 97.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 94.9 Ų | 94.9 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 172.6 | -74.7 | 18.6 | 0 | 0 | 0 | 109.7 | S334 T335 L742 Q743 Q748 M749 W750 | S334-D746 WeakPolarHBondContact CB-OD2 3.19Å; S334-D746 VanDerWaalsContact O-OD1 3.04Å; T335-D746 PolarHBondContact N-OD1 3.24Å; T335-D746 VanDerWaalsContact N-OD1 3.09Å; L742-D746 PolarHBondContact O-N 3.45Å; Q743-D746 PolarHBondContact O-N 3.49Å; D746-Q748 VanDerWaalsContact C-N 3.32Å; D746-Q748 PolarHBondContact O-N 3.21Å; D746-M749 HydrophobicContact CB-CE 4.41Å; D746-M749 PolarHBondContact O-N 2.89Å; D746-M749 WeakPolarHBondContact OD1-CE 3.32Å; D746-W750 PolarHBondContact O-N 3.42Å |
| 747 | I | 97.3 | Very high | 96.8 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 173 | -67.7 | 165.3 | 0 | 0 | 0 | 112.1 | Q743 E744 K745 K751 | Q743-I747 WeakPolarHBondContact O-CG1 3.16Å; Q743-I747 PolarHBondContact O-N 2.95Å; E744-I747 PolarHBondContact O-N 3.32Å; K745-I747 VanDerWaalsContact C-N 3.31Å; K745-I747 PolarHBondContact O-N 3.33Å; I747-K751 HydrophobicContact CG2-CD 4.27Å; I747-K751 VanDerWaalsContact O-CG 3.3Å; I747-K751 WeakPolarHBondContact O-CG 3.23Å; I747-K751 PolarHBondContact O-N 3.29Å |
| 748 | Q | 97.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.8 | -71.6 | 171.9 | 16.8 | 0 | 0 | 112.1 | E744 K745 D746 K751 V752 | E744-Q748 VanDerWaalsContact O-CG 3.3Å; E744-Q748 WeakPolarHBondContact O-CG 3.4Å; E744-Q748 PolarHBondContact O-N 3.1Å; E744-Q748 PolarHBondContact OE1-NE2 3.33Å; K745-Q748 PolarHBondContact O-N 3.41Å; K745-Q748 VanDerWaalsContact O-N 3.16Å; D746-Q748 VanDerWaalsContact C-N 3.32Å; D746-Q748 PolarHBondContact O-N 3.21Å; Q748-K751 PolarHBondContact O-N 2.92Å; Q748-V752 WeakPolarHBondContact O-CG2 3.47Å; Q748-V752 PolarHBondContact O-N 3.5Å |
| 749 | M | 96.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 93 Ų | 93 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 174.5 | -70.7 | -170.8 | -64.8 | 0 | 0 | 111.6 | K745 D746 K751 V752 S753 | K745-M749 WeakPolarHBondContact O-CG 3.19Å; K745-M749 PolarHBondContact O-N 2.91Å; D746-M749 HydrophobicContact CB-CE 4.41Å; D746-M749 PolarHBondContact O-N 2.89Å; D746-M749 WeakPolarHBondContact OD1-CE 3.32Å; M749-K751 VanDerWaalsContact C-N 3.34Å; M749-K751 PolarHBondContact O-N 3.46Å; M749-V752 PolarHBondContact O-N 3.02Å; M749-S753 WeakPolarHBondContact O-CB 3.46Å; M749-S753 PolarHBondContact O-N 2.85Å |
| 750 | W | 97.3 | Very high | 96.8 | Very high | 184 Ų | 184 | 98.3 Ų | 98.3 | 70% | 0.697 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 174.5 | -72.4 | 119 | 0 | 0 | 0 | 112.3 | D746 S753 L754 | D746-W750 PolarHBondContact O-N 3.42Å; W750-S753 PolarHBondContact O-N 2.86Å; W750-L754 WeakPolarHBondContact O-CB 3.38Å; W750-L754 PolarHBondContact O-N 2.87Å |
| 751 | K | 98.1 | Very high | 96.8 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 173.8 | -76.3 | 171.6 | -179.9 | 179.4 | 0 | 112.8 | I747 Q748 M749 L754 Q755 | I747-K751 HydrophobicContact CG2-CD 4.27Å; I747-K751 VanDerWaalsContact O-CG 3.3Å; I747-K751 WeakPolarHBondContact O-CG 3.23Å; I747-K751 PolarHBondContact O-N 3.29Å; Q748-K751 PolarHBondContact O-N 2.92Å; M749-K751 VanDerWaalsContact C-N 3.34Å; M749-K751 PolarHBondContact O-N 3.46Å; K751-L754 PolarHBondContact O-N 2.99Å; K751-Q755 WeakPolarHBondContact O-CG 3.26Å; K751-Q755 PolarHBondContact O-N 3.01Å |
| 752 | V | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 99.5 Ų | 99.5 | 44% | 0.436 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | Q748 M749 Q755 K756 | Q748-V752 WeakPolarHBondContact O-CG2 3.47Å; Q748-V752 PolarHBondContact O-N 3.5Å; M749-V752 PolarHBondContact O-N 3.02Å; V752-Q755 PolarHBondContact O-N 3.49Å; V752-K756 WeakPolarHBondContact O-CG 3.35Å; V752-K756 PolarHBondContact O-N 3.38Å; V752-K756 VanDerWaalsContact O-N 3.08Å |
| 753 | S | 96.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 103.4 Ų | 103.4 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.2 | -157.5 | 0 | 0 | 0 | 0 | 111.7 | M749 W750 Q755 K756 E757 | M749-S753 WeakPolarHBondContact O-CB 3.46Å; M749-S753 PolarHBondContact O-N 2.85Å; W750-S753 PolarHBondContact O-N 2.86Å; S753-Q755 PolarHBondContact O-N 2.89Å; S753-K756 WeakPolarHBondContact O-CB 3.2Å; S753-K756 PolarHBondContact O-N 3.32Å; S753-E757 PolarHBondContact O-N 3.48Å |
| 754 | L | 97.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 174.7 | 180 | 62.2 | 0 | 0 | 0 | 111.7 | W750 K751 K756 E757 Q758 | W750-L754 WeakPolarHBondContact O-CB 3.38Å; W750-L754 PolarHBondContact O-N 2.87Å; K751-L754 PolarHBondContact O-N 2.99Å; L754-K756 VanDerWaalsContact C-N 3.32Å; L754-K756 PolarHBondContact O-N 3.31Å; L754-E757 PolarHBondContact O-N 3.12Å; L754-Q758 HydrophobicContact CD1-CG 4.4Å; L754-Q758 WeakPolarHBondContact O-CB 3.33Å; L754-Q758 VanDerWaalsContact O-CG 3.27Å; L754-Q758 WeakPolarHBondContact O-CG 3.43Å; L754-Q758 PolarHBondContact O-N 3.11Å |
| 755 | Q | 97 | Very high | 96.7 | Very high | 125 Ų | 125 | 104.1 Ų | 104.1 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -37.5 | 174.8 | -76.4 | 177.4 | -22 | 0 | 0 | 112.8 | K751 V752 S753 A759 | K751-Q755 WeakPolarHBondContact O-CG 3.26Å; K751-Q755 PolarHBondContact O-N 3.01Å; V752-Q755 PolarHBondContact O-N 3.49Å; S753-Q755 PolarHBondContact O-N 2.89Å; Q755-A759 WeakPolarHBondContact O-CB 3.34Å; Q755-A759 PolarHBondContact O-N 2.89Å |
| 756 | K | 96.5 | Very high | 96.7 | Very high | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 174.3 | -73.8 | 173.8 | 178.7 | -179.3 | 0 | 111.9 | V752 S753 L754 A759 R760 | V752-K756 WeakPolarHBondContact O-CG 3.35Å; V752-K756 PolarHBondContact O-N 3.38Å; V752-K756 VanDerWaalsContact O-N 3.08Å; S753-K756 WeakPolarHBondContact O-CB 3.2Å; S753-K756 PolarHBondContact O-N 3.32Å; L754-K756 VanDerWaalsContact C-N 3.32Å; L754-K756 PolarHBondContact O-N 3.31Å; K756-A759 PolarHBondContact O-N 3.32Å; K756-R760 WeakPolarHBondContact O-CB 3.47Å; K756-R760 PolarHBondContact O-N 3.47Å |
| 757 | E | 93.8 | Very high | 96.7 | Very high | 98 Ų | 98 | 110 Ų | 110 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 179.9 | -154.1 | 61.6 | -157.8 | 0 | 0 | 111.8 | S753 L754 R760 Y761 | S753-E757 PolarHBondContact O-N 3.48Å; L754-E757 PolarHBondContact O-N 3.12Å; E757-R760 PolarHBondContact O-N 3.25Å; E757-R760 VanDerWaalsContact OE1-CD 3.32Å; E757-R760 WeakPolarHBondContact OE1-CD 3.32Å; E757-R760 IonicContact OE1-CZ 2.71Å; E757-R760 IonicContact OE1-NE 2.76Å; E757-R760 IonicContact OE1-NH1 3.1Å; E757-R760 PolarHBondContact OE1-NH1 2.84Å; E757-R760 IonicContact OE2-NH1 2.67Å; E757-Y761 WeakPolarHBondContact O-CB 3.44Å; E757-Y761 PolarHBondContact O-N 3.23Å |
| 758 | Q | 97.4 | Very high | 96.5 | Very high | 102 Ų | 102 | 112.8 Ų | 112.8 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 169 | -74.5 | 172.3 | -15.9 | 0 | 0 | 112.1 | L754 R760 Y761 N762 | L754-Q758 HydrophobicContact CD1-CG 4.4Å; L754-Q758 WeakPolarHBondContact O-CB 3.33Å; L754-Q758 VanDerWaalsContact O-CG 3.27Å; L754-Q758 WeakPolarHBondContact O-CG 3.43Å; L754-Q758 PolarHBondContact O-N 3.11Å; Q758-R760 VanDerWaalsContact C-N 3.34Å; Q758-R760 PolarHBondContact O-N 3.47Å; Q758-Y761 PolarHBondContact O-N 3.3Å; Q758-N762 PolarHBondContact O-N 3.37Å; Q758-N762 PolarHBondContact O-OD1 3.07Å |
| 759 | A | 97.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 111 Ų | 111 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q755 K756 N762 Q763 | Q755-A759 WeakPolarHBondContact O-CB 3.34Å; Q755-A759 PolarHBondContact O-N 2.89Å; K756-A759 PolarHBondContact O-N 3.32Å; A759-N762 PolarHBondContact O-N 2.92Å; A759-Q763 PolarHBondContact O-N 2.96Å |
| 760 | R | 97 | Very high | 96.5 | Very high | 157 Ų | 157 | 109.8 Ų | 109.8 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 174.7 | -171.7 | -170 | -179 | -160.7 | 3.2 | 112.2 | K756 E757 Q758 Q763 L764 | K756-R760 WeakPolarHBondContact O-CB 3.47Å; K756-R760 PolarHBondContact O-N 3.47Å; E757-R760 PolarHBondContact O-N 3.25Å; E757-R760 VanDerWaalsContact OE1-CD 3.32Å; E757-R760 WeakPolarHBondContact OE1-CD 3.32Å; E757-R760 IonicContact OE1-CZ 2.71Å; E757-R760 IonicContact OE1-NE 2.76Å; E757-R760 IonicContact OE1-NH1 3.1Å; E757-R760 PolarHBondContact OE1-NH1 2.84Å; E757-R760 IonicContact OE2-NH1 2.67Å; Q758-R760 VanDerWaalsContact C-N 3.34Å; Q758-R760 PolarHBondContact O-N 3.47Å; R760-Q763 PolarHBondContact O-N 3.05Å; R760-L764 WeakPolarHBondContact O-CB 3.46Å; R760-L764 PolarHBondContact O-N 3.09Å |
| 761 | Y | 95.6 | Very high | 96.4 | Very high | 150 Ų | 150 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.8 | -47.5 | 173.1 | 175.6 | -89.6 | 0 | 0 | 0 | 111.1 | E757 Q758 Q763 L764 Q765 | E757-Y761 WeakPolarHBondContact O-CB 3.44Å; E757-Y761 PolarHBondContact O-N 3.23Å; Q758-Y761 PolarHBondContact O-N 3.3Å; Y761-Q763 PolarHBondContact O-N 3.49Å; Y761-L764 PolarHBondContact O-N 3.19Å; Y761-L764 VanDerWaalsContact O-N 3.17Å; Y761-Q765 PolarHBondContact O-N 3.08Å |
| 762 | N | 96.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 103.6 Ų | 103.6 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.7 | -66.7 | -8.6 | 0 | 0 | 0 | 111.6 | Q758 A759 L764 Q765 E766 | Q758-N762 PolarHBondContact O-N 3.37Å; Q758-N762 PolarHBondContact O-OD1 3.07Å; A759-N762 PolarHBondContact O-N 2.92Å; N762-L764 VanDerWaalsContact C-N 3.33Å; N762-L764 PolarHBondContact O-N 3Å; N762-Q765 WeakPolarHBondContact O-CB 3.46Å; N762-Q765 PolarHBondContact O-N 3.38Å; N762-E766 WeakPolarHBondContact O-CG 3.49Å; N762-E766 PolarHBondContact O-N 2.99Å |
| 763 | Q | 96.4 | Very high | 96.3 | Very high | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.7 | -172 | -178.2 | 23.7 | 0 | 0 | 112.2 | A759 R760 Y761 E766 Q767 | A759-Q763 PolarHBondContact O-N 2.96Å; R760-Q763 PolarHBondContact O-N 3.05Å; Y761-Q763 PolarHBondContact O-N 3.49Å; Q763-E766 PolarHBondContact O-N 2.97Å; Q763-Q767 WeakPolarHBondContact O-CG 3.2Å; Q763-Q767 PolarHBondContact O-N 3.02Å |
| 764 | L | 95.2 | Very high | 96.3 | Very high | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.1 | -35.9 | 176 | -175 | 62.9 | 0 | 0 | 0 | 111.6 | R760 Y761 N762 Q767 R768 | R760-L764 WeakPolarHBondContact O-CB 3.46Å; R760-L764 PolarHBondContact O-N 3.09Å; Y761-L764 PolarHBondContact O-N 3.19Å; Y761-L764 VanDerWaalsContact O-N 3.17Å; N762-L764 VanDerWaalsContact C-N 3.33Å; N762-L764 PolarHBondContact O-N 3Å; L764-Q767 PolarHBondContact O-N 2.82Å; L764-R768 PolarHBondContact O-N 3.29Å |
| 765 | Q | 96.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 107 Ų | 107 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 172.4 | -174.1 | 178.7 | -30.4 | 0 | 0 | 111.4 | Y761 N762 Q767 R768 D769 | Y761-Q765 PolarHBondContact O-N 3.08Å; N762-Q765 WeakPolarHBondContact O-CB 3.46Å; N762-Q765 PolarHBondContact O-N 3.38Å; Q765-Q767 VanDerWaalsContact C-N 3.34Å; Q765-Q767 PolarHBondContact O-N 3.16Å; Q765-R768 WeakPolarHBondContact O-CB 3.39Å; Q765-R768 PolarHBondContact O-N 3.3Å; Q765-D769 WeakPolarHBondContact O-CB 3.45Å; Q765-D769 PolarHBondContact O-N 2.82Å |
| 766 | E | 96.4 | Very high | 96.3 | Very high | 132 Ų | 132 | 105.9 Ų | 105.9 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 173 | -72.1 | 176.5 | -177.5 | 0 | 0 | 112.2 | N762 Q763 D769 T770 | N762-E766 WeakPolarHBondContact O-CG 3.49Å; N762-E766 PolarHBondContact O-N 2.99Å; Q763-E766 PolarHBondContact O-N 2.97Å; E766-D769 PolarHBondContact O-N 3.41Å; E766-T770 WeakPolarHBondContact O-CB 3.12Å; E766-T770 WeakPolarHBondContact O-CG2 3.45Å; E766-T770 PolarHBondContact O-N 3.17Å; E766-T770 PolarHBondContact O-OG1 2.84Å |
| 767 | Q | 96.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 173.8 | -74.8 | 175.8 | 0.1 | 0 | 0 | 112.1 | Q763 L764 Q765 T770 M771 | Q763-Q767 WeakPolarHBondContact O-CG 3.2Å; Q763-Q767 PolarHBondContact O-N 3.02Å; L764-Q767 PolarHBondContact O-N 2.82Å; Q765-Q767 VanDerWaalsContact C-N 3.34Å; Q765-Q767 PolarHBondContact O-N 3.16Å; Q767-T770 WeakPolarHBondContact CA-OG1 3.36Å; Q767-T770 PolarHBondContact O-OG1 2.82Å; Q767-T770 VanDerWaalsContact O-OG1 3.08Å; Q767-M771 WeakPolarHBondContact O-CB 3.29Å; Q767-M771 PolarHBondContact O-N 3.38Å |
| 768 | R | 94.7 | Very high | 96.4 | Very high | 152 Ų | 152 | 101.4 Ų | 101.4 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 172.6 | -170.2 | -158.4 | 73 | 160.5 | -1.3 | 110.9 | L764 Q765 T770 M771 V772 | L764-R768 PolarHBondContact O-N 3.29Å; Q765-R768 WeakPolarHBondContact O-CB 3.39Å; Q765-R768 PolarHBondContact O-N 3.3Å; R768-T770 PolarHBondContact O-N 2.82Å; R768-M771 WeakPolarHBondContact O-CB 3.33Å; R768-M771 PolarHBondContact O-N 3.28Å; R768-V772 HydrophobicContact CG-CG2 4.46Å; R768-V772 WeakPolarHBondContact O-CB 3.29Å; R768-V772 VanDerWaalsContact O-CG2 3.28Å; R768-V772 WeakPolarHBondContact O-CG2 3.35Å; R768-V772 PolarHBondContact O-N 2.86Å |
| 769 | D | 97 | Very high | 96.3 | Very high | 55 Ų | 55 | 100.7 Ų | 100.7 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.4 | -30.6 | -172.3 | -67.3 | -7.7 | 0 | 0 | 0 | 112 | Q765 E766 T773 | Q765-D769 WeakPolarHBondContact O-CB 3.45Å; Q765-D769 PolarHBondContact O-N 2.82Å; E766-D769 PolarHBondContact O-N 3.41Å; D769-T773 WeakPolarHBondContact O-CB 3.4Å; D769-T773 PolarHBondContact O-N 2.98Å; D769-T773 PolarHBondContact O-OG1 2.92Å |
| 770 | T | 96.7 | Very high | 96.3 | Very high | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.6 | -39.3 | 168.3 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | E766 Q767 R768 T773 K774 | E766-T770 WeakPolarHBondContact O-CB 3.12Å; E766-T770 WeakPolarHBondContact O-CG2 3.45Å; E766-T770 PolarHBondContact O-N 3.17Å; E766-T770 PolarHBondContact O-OG1 2.84Å; Q767-T770 WeakPolarHBondContact CA-OG1 3.36Å; Q767-T770 PolarHBondContact O-OG1 2.82Å; Q767-T770 VanDerWaalsContact O-OG1 3.08Å; R768-T770 PolarHBondContact O-N 2.82Å; T770-T773 PolarHBondContact O-N 2.8Å; T770-K774 PolarHBondContact O-N 2.78Å |
| 771 | M | 95.2 | Very high | 96.2 | Very high | 125 Ų | 125 | 102 Ų | 102 | 62% | 0.616 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 172.1 | -174.5 | -176.6 | -65.5 | 0 | 0 | 111.8 | Q767 R768 T773 K774 L775 | Q767-M771 WeakPolarHBondContact O-CB 3.29Å; Q767-M771 PolarHBondContact O-N 3.38Å; R768-M771 WeakPolarHBondContact O-CB 3.33Å; R768-M771 PolarHBondContact O-N 3.28Å; M771-T773 VanDerWaalsContact C-N 3.3Å; M771-T773 PolarHBondContact O-N 3.47Å; M771-K774 WeakPolarHBondContact O-CB 3.37Å; M771-K774 PolarHBondContact O-N 2.84Å; M771-L775 HydrophobicContact CG-CD1 4.44Å; M771-L775 WeakPolarHBondContact O-CG 3.48Å; M771-L775 PolarHBondContact O-N 3.25Å |
| 772 | V | 96.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 100.5 Ų | 100.5 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 173.8 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | R768 L775 H776 | R768-V772 HydrophobicContact CG-CG2 4.46Å; R768-V772 WeakPolarHBondContact O-CB 3.29Å; R768-V772 VanDerWaalsContact O-CG2 3.28Å; R768-V772 WeakPolarHBondContact O-CG2 3.35Å; R768-V772 PolarHBondContact O-N 2.86Å; V772-L775 PolarHBondContact O-N 2.84Å; V772-H776 WeakPolarHBondContact CG1-ND1 3.24Å; V772-H776 PolarHBondContact O-N 3.48Å; V772-H776 PolarHBondContact O-ND1 2.66Å |
| 773 | T | 96.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 100.6 Ų | 100.6 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 174.9 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | D769 T770 M771 H776 S777 | D769-T773 WeakPolarHBondContact O-CB 3.4Å; D769-T773 PolarHBondContact O-N 2.98Å; D769-T773 PolarHBondContact O-OG1 2.92Å; T770-T773 PolarHBondContact O-N 2.8Å; M771-T773 VanDerWaalsContact C-N 3.3Å; M771-T773 PolarHBondContact O-N 3.47Å; T773-H776 PolarHBondContact O-N 2.75Å; T773-S777 PolarHBondContact O-N 2.71Å |
| 774 | K | 96.7 | Very high | 96.2 | Very high | 132 Ų | 132 | 99.7 Ų | 99.7 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | 173.9 | -175.1 | -179.3 | 178 | -177 | 0 | 111.5 | T770 M771 H776 S777 Q778 | T770-K774 PolarHBondContact O-N 2.78Å; M771-K774 WeakPolarHBondContact O-CB 3.37Å; M771-K774 PolarHBondContact O-N 2.84Å; K774-H776 PolarHBondContact O-N 2.77Å; K774-S777 PolarHBondContact O-N 3Å; K774-S777 VanDerWaalsContact O-N 3.07Å; K774-S777 PolarHBondContact O-OG 3.49Å; K774-Q778 PolarHBondContact O-N 3.4Å |
| 775 | L | 96.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 96.6 Ų | 96.6 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.8 | -69.7 | 169.5 | 0 | 0 | 0 | 111.7 | M771 V772 S777 Q778 I779 | M771-L775 HydrophobicContact CG-CD1 4.44Å; M771-L775 WeakPolarHBondContact O-CG 3.48Å; M771-L775 PolarHBondContact O-N 3.25Å; V772-L775 PolarHBondContact O-N 2.84Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.07Å; L775-Q778 PolarHBondContact O-N 3.17Å; L775-I779 WeakPolarHBondContact O-CG1 3.21Å; L775-I779 PolarHBondContact O-N 2.88Å |
| 776 | H | 97.4 | Very high | 96.2 | Very high | 100 Ų | 100 | 100 Ų | 100 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -33.7 | 173.6 | -77.9 | 97 | 0 | 0 | 0 | 113.1 | V772 T773 K774 R780 | V772-H776 WeakPolarHBondContact CG1-ND1 3.24Å; V772-H776 PolarHBondContact O-N 3.48Å; V772-H776 PolarHBondContact O-ND1 2.66Å; T773-H776 PolarHBondContact O-N 2.75Å; K774-H776 PolarHBondContact O-N 2.77Å; H776-R780 WeakPolarHBondContact O-CG 3.21Å; H776-R780 PolarHBondContact O-N 2.81Å; H776-R780 VanDerWaalsContact O-N 3.07Å |
| 777 | S | 95.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 98 Ų | 98 | 38% | 0.378 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | T773 K774 L775 R780 Q781 | T773-S777 PolarHBondContact O-N 2.71Å; K774-S777 PolarHBondContact O-N 3Å; K774-S777 VanDerWaalsContact O-N 3.07Å; K774-S777 PolarHBondContact O-OG 3.49Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.07Å; S777-R780 PolarHBondContact O-N 3.23Å; S777-Q781 PolarHBondContact O-N 3.07Å |
| 778 | Q | 96.5 | Very high | 96.2 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 173.9 | -70.3 | 175.9 | -50.7 | 0 | 0 | 112 | K774 L775 R780 Q781 L782 | K774-Q778 PolarHBondContact O-N 3.4Å; L775-Q778 PolarHBondContact O-N 3.17Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 PolarHBondContact O-N 3.23Å; Q778-Q781 PolarHBondContact O-N 2.82Å; Q778-L782 WeakPolarHBondContact O-CG 3.5Å; Q778-L782 PolarHBondContact O-N 3.16Å |
| 779 | I | 95.4 | Very high | 96.3 | Very high | 87 Ų | 87 | 96.8 Ų | 96.8 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174 | -69.5 | 163.7 | 0 | 0 | 0 | 110.7 | L775 L782 Q783 | L775-I779 WeakPolarHBondContact O-CG1 3.21Å; L775-I779 PolarHBondContact O-N 2.88Å; I779-L782 PolarHBondContact O-N 3.02Å; I779-Q783 WeakPolarHBondContact O-CB 3.4Å; I779-Q783 WeakPolarHBondContact O-CG 3.47Å; I779-Q783 PolarHBondContact O-N 3.43Å |
| 780 | R | 96.8 | Very high | 96.2 | Very high | 142 Ų | 142 | 102 Ų | 102 | 54% | 0.536 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175 | -74.8 | -171.6 | -60.6 | -94.2 | 1.8 | 112.8 | H776 S777 Q778 Q783 H784 | H776-R780 WeakPolarHBondContact O-CG 3.21Å; H776-R780 PolarHBondContact O-N 2.81Å; H776-R780 VanDerWaalsContact O-N 3.07Å; S777-R780 PolarHBondContact O-N 3.23Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 PolarHBondContact O-N 3.23Å; R780-Q783 PolarHBondContact O-N 3.37Å; R780-H784 WeakPolarHBondContact O-CB 3.27Å; R780-H784 PolarHBondContact O-N 3.4Å |
| 781 | Q | 96.7 | Very high | 96.2 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 174.9 | -170.9 | 63 | 49.4 | 0 | 0 | 110.6 | S777 Q778 Q783 H784 D785 | S777-Q781 PolarHBondContact O-N 3.07Å; Q778-Q781 PolarHBondContact O-N 2.82Å; Q781-Q783 PolarHBondContact O-N 3.48Å; Q781-H784 CarbonylContact O-C 3.59Å; Q781-H784 WeakPolarHBondContact O-CA 3.22Å; Q781-H784 WeakPolarHBondContact O-CB 3.4Å; Q781-H784 PolarHBondContact O-N 2.79Å; Q781-D785 PolarHBondContact NE2-OD1 3.34Å; Q781-D785 PolarHBondContact O-N 3.3Å |
| 782 | L | 95.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 178.3 | -68 | 170.4 | 0 | 0 | 0 | 113.2 | Q778 I779 R786 | Q778-L782 WeakPolarHBondContact O-CG 3.5Å; Q778-L782 PolarHBondContact O-N 3.16Å; I779-L782 PolarHBondContact O-N 3.02Å; L782-R786 WeakPolarHBondContact O-CB 3.41Å; L782-R786 PolarHBondContact O-N 3.06Å; L782-R786 VanDerWaalsContact O-N 3.08Å |
| 783 | Q | 96 | Very high | 96 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 170.9 | -76.4 | 167.8 | -11.1 | 0 | 0 | 112 | I779 R780 Q781 E787 | I779-Q783 WeakPolarHBondContact O-CB 3.4Å; I779-Q783 WeakPolarHBondContact O-CG 3.47Å; I779-Q783 PolarHBondContact O-N 3.43Å; R780-Q783 PolarHBondContact O-N 3.37Å; Q781-Q783 PolarHBondContact O-N 3.48Å; Q783-E787 WeakPolarHBondContact O-CG 3.36Å; Q783-E787 PolarHBondContact O-N 2.85Å; Q783-E787 VanDerWaalsContact O-N 3.1Å |
| 784 | H | 96.7 | Very high | 96 | Very high | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.7 | -177.4 | 33.6 | 0 | 0 | 0 | 111.9 | R780 Q781 R786 E787 E788 | R780-H784 WeakPolarHBondContact O-CB 3.27Å; R780-H784 PolarHBondContact O-N 3.4Å; Q781-H784 CarbonylContact O-C 3.59Å; Q781-H784 WeakPolarHBondContact O-CA 3.22Å; Q781-H784 WeakPolarHBondContact O-CB 3.4Å; Q781-H784 PolarHBondContact O-N 2.79Å; H784-R786 VanDerWaalsContact C-N 3.29Å; H784-R786 PolarHBondContact O-N 3.27Å; H784-E787 CarbonylContact O-C 3.55Å; H784-E787 WeakPolarHBondContact O-CA 3.37Å; H784-E787 WeakPolarHBondContact O-CB 3.43Å; H784-E787 PolarHBondContact O-N 3.06Å; H784-E788 IonicContact CE1-OE1 3.15Å; H784-E788 PolarHBondContact O-N 3.26Å |
| 785 | D | 96.2 | Very high | 95.8 | Very high | 44 Ų | 44 | 100.5 Ų | 100.5 | 24% | 0.235 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 176 | -55.4 | -24.5 | 0 | 0 | 0 | 110.6 | Q781 E787 E788 F789 | Q781-D785 PolarHBondContact NE2-OD1 3.34Å; Q781-D785 PolarHBondContact O-N 3.3Å; D785-E787 VanDerWaalsContact C-N 3.29Å; D785-E787 PolarHBondContact O-N 3.28Å; D785-E788 PolarHBondContact O-N 3.15Å; D785-F789 HydrophobicContact CB-CE2 4.38Å; D785-F789 WeakPolarHBondContact O-CD2 3.35Å; D785-F789 WeakPolarHBondContact O-CG 3.46Å; D785-F789 PolarHBondContact O-N 3.29Å |
| 786 | R | 95.8 | Very high | 95.7 | Very high | 150 Ų | 150 | 101.3 Ų | 101.3 | 57% | 0.566 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.8 | -37.8 | 174 | 176.4 | -157.5 | 67.7 | 160.4 | 1.1 | 112.3 | L782 H784 Y790 | L782-R786 WeakPolarHBondContact O-CB 3.41Å; L782-R786 PolarHBondContact O-N 3.06Å; L782-R786 VanDerWaalsContact O-N 3.08Å; H784-R786 VanDerWaalsContact C-N 3.29Å; H784-R786 PolarHBondContact O-N 3.27Å; R786-Y790 WeakPolarHBondContact O-CB 3.26Å; R786-Y790 PolarHBondContact O-N 2.82Å |
| 787 | E | 96.9 | Very high | 95.5 | Very high | 92 Ų | 92 | 102.8 Ų | 102.8 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.8 | -36.1 | 176.5 | -76.7 | 160.4 | -151.1 | 0 | 0 | 111.7 | Q783 H784 D785 Y790 N791 | Q783-E787 WeakPolarHBondContact O-CG 3.36Å; Q783-E787 PolarHBondContact O-N 2.85Å; Q783-E787 VanDerWaalsContact O-N 3.1Å; H784-E787 CarbonylContact O-C 3.55Å; H784-E787 WeakPolarHBondContact O-CA 3.37Å; H784-E787 WeakPolarHBondContact O-CB 3.43Å; H784-E787 PolarHBondContact O-N 3.06Å; D785-E787 VanDerWaalsContact C-N 3.29Å; D785-E787 PolarHBondContact O-N 3.28Å; E787-Y790 PolarHBondContact O-N 2.68Å; E787-N791 WeakPolarHBondContact O-CB 3.38Å; E787-N791 PolarHBondContact O-N 2.95Å; E787-N791 PolarHBondContact O-ND2 2.96Å; E787-N791 VanDerWaalsContact O-ND2 3.1Å |
| 788 | E | 95.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 103.9 Ų | 103.9 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 169.3 | -64.6 | -146.2 | 136.3 | 0 | 0 | 112 | H784 D785 Y790 N791 Q792 | H784-E788 IonicContact CE1-OE1 3.15Å; H784-E788 PolarHBondContact O-N 3.26Å; D785-E788 PolarHBondContact O-N 3.15Å; E788-Y790 VanDerWaalsContact C-N 3.29Å; E788-Y790 PolarHBondContact O-N 3.12Å; E788-N791 PolarHBondContact O-N 3.32Å; E788-N791 VanDerWaalsContact O-N 3.15Å; E788-Q792 WeakPolarHBondContact O-CB 3.49Å; E788-Q792 VanDerWaalsContact O-CG 3.29Å; E788-Q792 WeakPolarHBondContact O-CG 3.25Å; E788-Q792 PolarHBondContact O-N 2.98Å |
| 789 | F | 94.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 104.2 Ų | 104.2 | 61% | 0.605 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -35.2 | 174.8 | -72.8 | -56.2 | 0 | 0 | 0 | 112.6 | D785 S793 | D785-F789 HydrophobicContact CB-CE2 4.38Å; D785-F789 WeakPolarHBondContact O-CD2 3.35Å; D785-F789 WeakPolarHBondContact O-CG 3.46Å; D785-F789 PolarHBondContact O-N 3.29Å; F789-S793 VanDerWaalsContact O-CB 3.26Å; F789-S793 WeakPolarHBondContact O-CB 3.22Å; F789-S793 PolarHBondContact O-N 3.33Å |
| 790 | Y | 96.7 | Very high | 95.2 | Very high | 164 Ų | 164 | 104.9 Ų | 104.9 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 172.6 | -176.4 | -89.9 | 0 | 0 | 0 | 111.3 | R786 E787 E788 S793 Q794 | R786-Y790 WeakPolarHBondContact O-CB 3.26Å; R786-Y790 PolarHBondContact O-N 2.82Å; E787-Y790 PolarHBondContact O-N 2.68Å; E788-Y790 VanDerWaalsContact C-N 3.29Å; E788-Y790 PolarHBondContact O-N 3.12Å; Y790-S793 WeakPolarHBondContact O-CB 3.31Å; Y790-S793 PolarHBondContact O-N 2.85Å; Y790-Q794 PolarHBondContact O-N 3.2Å |
| 791 | N | 95.9 | Very high | 95.1 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.7 | -67.3 | -29.9 | 0 | 0 | 0 | 112.1 | E787 E788 S793 Q794 E795 | E787-N791 WeakPolarHBondContact O-CB 3.38Å; E787-N791 PolarHBondContact O-N 2.95Å; E787-N791 PolarHBondContact O-ND2 2.96Å; E787-N791 VanDerWaalsContact O-ND2 3.1Å; E788-N791 PolarHBondContact O-N 3.32Å; E788-N791 VanDerWaalsContact O-N 3.15Å; N791-S793 VanDerWaalsContact C-N 3.35Å; N791-S793 PolarHBondContact O-N 3.44Å; N791-Q794 PolarHBondContact O-N 3.41Å; N791-E795 PolarHBondContact O-N 3.11Å |
| 792 | Q | 95.4 | Very high | 94.9 | Very high | 90 Ų | 90 | 101.8 Ų | 101.8 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.3 | -69.9 | 171.2 | 26.1 | 0 | 0 | 111.7 | E788 E795 L796 | E788-Q792 WeakPolarHBondContact O-CB 3.49Å; E788-Q792 VanDerWaalsContact O-CG 3.29Å; E788-Q792 WeakPolarHBondContact O-CG 3.25Å; E788-Q792 PolarHBondContact O-N 2.98Å; Q792-E795 PolarHBondContact O-N 3.49Å; Q792-L796 WeakPolarHBondContact O-CB 3.04Å; Q792-L796 WeakPolarHBondContact O-CG 3.39Å; Q792-L796 PolarHBondContact O-N 3.45Å |
| 793 | S | 92.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 99.6 Ų | 99.6 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 174.6 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | F789 Y790 N791 L796 Q797 | F789-S793 VanDerWaalsContact O-CB 3.26Å; F789-S793 WeakPolarHBondContact O-CB 3.22Å; F789-S793 PolarHBondContact O-N 3.33Å; Y790-S793 WeakPolarHBondContact O-CB 3.31Å; Y790-S793 PolarHBondContact O-N 2.85Å; N791-S793 VanDerWaalsContact C-N 3.35Å; N791-S793 PolarHBondContact O-N 3.44Å; S793-L796 PolarHBondContact O-N 3.17Å; S793-Q797 WeakPolarHBondContact O-CB 3.38Å; S793-Q797 PolarHBondContact O-N 3.46Å |
| 794 | Q | 95.7 | Very high | 94.6 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 174.1 | -173.4 | 175.6 | -6 | 0 | 0 | 112.5 | Y790 N791 Q797 T798 | Y790-Q794 PolarHBondContact O-N 3.2Å; N791-Q794 PolarHBondContact O-N 3.41Å; Q794-Q797 PolarHBondContact O-N 2.97Å; Q794-T798 PolarHBondContact O-N 3.29Å; Q794-T798 PolarHBondContact O-OG1 3.19Å |
| 795 | E | 93.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 173.7 | -162.5 | -158.7 | 148.4 | 0 | 0 | 111.5 | N791 Q792 Q797 T798 K799 | N791-E795 PolarHBondContact O-N 3.11Å; Q792-E795 PolarHBondContact O-N 3.49Å; E795-Q797 VanDerWaalsContact C-N 3.33Å; E795-Q797 PolarHBondContact O-N 2.77Å; E795-T798 WeakPolarHBondContact O-CB 3.27Å; E795-T798 PolarHBondContact O-N 2.76Å; E795-T798 VanDerWaalsContact O-N 3.16Å; E795-K799 WeakPolarHBondContact O-CG 3.23Å; E795-K799 PolarHBondContact O-N 3.43Å; E795-K799 WeakPolarHBondContact OE1-CE 3.47Å; E795-K799 IonicContact OE1-NZ 3.72Å; E795-K799 PolarHBondContact OE1-NZ 3.22Å |
| 796 | L | 93.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 173.7 | -73.3 | 171.4 | 0 | 0 | 0 | 112 | Q792 S793 T798 K799 L800 | Q792-L796 WeakPolarHBondContact O-CB 3.04Å; Q792-L796 WeakPolarHBondContact O-CG 3.39Å; Q792-L796 PolarHBondContact O-N 3.45Å; S793-L796 PolarHBondContact O-N 3.17Å; L796-T798 VanDerWaalsContact C-N 3.3Å; L796-T798 PolarHBondContact O-N 3.01Å; L796-K799 HydrophobicContact CD2-CD 4.36Å; L796-K799 PolarHBondContact O-N 2.93Å; L796-L800 WeakPolarHBondContact O-CB 3.36Å; L796-L800 VanDerWaalsContact O-CG 3.32Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 3.18Å |
| 797 | Q | 93.8 | Very high | 94.2 | Very high | 132 Ų | 132 | 100.8 Ų | 100.8 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.2 | -35.9 | 173.1 | -174.3 | 173.5 | -4.3 | 0 | 0 | 111.8 | S793 Q794 E795 E801 | S793-Q797 WeakPolarHBondContact O-CB 3.38Å; S793-Q797 PolarHBondContact O-N 3.46Å; Q794-Q797 PolarHBondContact O-N 2.97Å; E795-Q797 VanDerWaalsContact C-N 3.33Å; E795-Q797 PolarHBondContact O-N 2.77Å; Q797-E801 PolarHBondContact O-N 3.09Å |
| 798 | T | 93.3 | Very high | 94 | Very high | 77 Ų | 77 | 98.5 Ų | 98.5 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -48.9 | 174 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | Q794 E795 L796 L800 E801 D802 | Q794-T798 PolarHBondContact O-N 3.29Å; Q794-T798 PolarHBondContact O-OG1 3.19Å; E795-T798 WeakPolarHBondContact O-CB 3.27Å; E795-T798 PolarHBondContact O-N 2.76Å; E795-T798 VanDerWaalsContact O-N 3.16Å; L796-T798 VanDerWaalsContact C-N 3.3Å; L796-T798 PolarHBondContact O-N 3.01Å; T798-L800 PolarHBondContact O-N 2.76Å; T798-E801 CarbonylContact O-C 3.58Å; T798-E801 WeakPolarHBondContact O-CA 3.4Å; T798-E801 WeakPolarHBondContact O-CB 3.17Å; T798-E801 PolarHBondContact O-N 3.03Å; T798-D802 PolarHBondContact O-N 3.45Å |
| 799 | K | 93.8 | Very high | 93.9 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.6 | -35.5 | 173.8 | -75 | 164.8 | 164.2 | 167.2 | 0 | 112.8 | E795 L796 D802 C803 | E795-K799 WeakPolarHBondContact O-CG 3.23Å; E795-K799 PolarHBondContact O-N 3.43Å; E795-K799 WeakPolarHBondContact OE1-CE 3.47Å; E795-K799 IonicContact OE1-NZ 3.72Å; E795-K799 PolarHBondContact OE1-NZ 3.22Å; L796-K799 HydrophobicContact CD2-CD 4.36Å; L796-K799 PolarHBondContact O-N 2.93Å; K799-D802 PolarHBondContact O-N 3.29Å; K799-C803 WeakPolarHBondContact O-CB 3.34Å; K799-C803 PolarHBondContact O-N 3.37Å; K799-C803 PolarHBondContact O-SG 3.5Å |
| 800 | L | 92.9 | Very high | 93.7 | Very high | 101 Ų | 101 | 97.6 Ų | 97.6 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -33.2 | 173.4 | -78.4 | 170.8 | 0 | 0 | 0 | 112.8 | L796 T798 R804 | L796-L800 WeakPolarHBondContact O-CB 3.36Å; L796-L800 VanDerWaalsContact O-CG 3.32Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 3.18Å; T798-L800 PolarHBondContact O-N 2.76Å; L800-R804 VanDerWaalsContact O-CG 3.32Å; L800-R804 WeakPolarHBondContact O-CG 3.35Å; L800-R804 PolarHBondContact O-N 3.32Å |
| 801 | E | 94.4 | Very high | 93.6 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 41% | 0.407 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.6 | -40.3 | 172.5 | -157.8 | 61.5 | -150.1 | 0 | 0 | 111.3 | Q797 T798 C803 R804 N805 | Q797-E801 PolarHBondContact O-N 3.09Å; T798-E801 CarbonylContact O-C 3.58Å; T798-E801 WeakPolarHBondContact O-CA 3.4Å; T798-E801 WeakPolarHBondContact O-CB 3.17Å; T798-E801 PolarHBondContact O-N 3.03Å; E801-C803 VanDerWaalsContact C-N 3.32Å; E801-C803 PolarHBondContact O-N 2.92Å; E801-R804 WeakPolarHBondContact O-CA 3.42Å; E801-R804 WeakPolarHBondContact O-CB 3.41Å; E801-R804 PolarHBondContact O-N 3.03Å; E801-R804 VanDerWaalsContact OE2-CD 3.28Å; E801-R804 WeakPolarHBondContact OE2-CD 3.23Å; E801-R804 IonicContact OE2-CZ 2.6Å; E801-R804 IonicContact OE2-NE 3.63Å; E801-R804 IonicContact OE2-NH1 3.87Å; E801-R804 PolarHBondContact OE2-NH1 2.97Å; E801-N805 PolarHBondContact O-N 3.25Å; E801-N805 PolarHBondContact O-ND2 3.5Å |
| 802 | D | 93.3 | Very high | 93.5 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 171.8 | -65 | -34.6 | 0 | 0 | 0 | 111.8 | T798 K799 R804 N805 M806 | T798-D802 PolarHBondContact O-N 3.45Å; K799-D802 PolarHBondContact O-N 3.29Å; D802-R804 VanDerWaalsContact C-N 3.34Å; D802-R804 PolarHBondContact O-N 2.95Å; D802-N805 WeakPolarHBondContact O-CB 3.45Å; D802-N805 PolarHBondContact O-N 3.41Å; D802-M806 WeakPolarHBondContact O-CB 3.44Å; D802-M806 PolarHBondContact O-N 3.34Å |
| 803 | C | 91.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 98 Ų | 98 | 48% | 0.48 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 170.5 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | K799 E801 I807 | K799-C803 WeakPolarHBondContact O-CB 3.34Å; K799-C803 PolarHBondContact O-N 3.37Å; K799-C803 PolarHBondContact O-SG 3.5Å; E801-C803 VanDerWaalsContact C-N 3.32Å; E801-C803 PolarHBondContact O-N 2.92Å; C803-I807 WeakPolarHBondContact O-CB 3.47Å; C803-I807 WeakPolarHBondContact O-CD1 3.38Å; C803-I807 VanDerWaalsContact O-CG1 3.23Å; C803-I807 WeakPolarHBondContact O-CG1 3.36Å; C803-I807 PolarHBondContact O-N 2.99Å |
| 804 | R | 95.2 | Very high | 93.1 | Very high | 142 Ų | 142 | 100.3 Ų | 100.3 | 54% | 0.536 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 173.7 | -72.2 | 163.4 | -176.3 | 156.2 | 5.2 | 111.3 | L800 E801 D802 I807 A808 | L800-R804 VanDerWaalsContact O-CG 3.32Å; L800-R804 WeakPolarHBondContact O-CG 3.35Å; L800-R804 PolarHBondContact O-N 3.32Å; E801-R804 WeakPolarHBondContact O-CA 3.42Å; E801-R804 WeakPolarHBondContact O-CB 3.41Å; E801-R804 PolarHBondContact O-N 3.03Å; E801-R804 VanDerWaalsContact OE2-CD 3.28Å; E801-R804 WeakPolarHBondContact OE2-CD 3.23Å; E801-R804 IonicContact OE2-CZ 2.6Å; E801-R804 IonicContact OE2-NE 3.63Å; E801-R804 IonicContact OE2-NH1 3.87Å; E801-R804 PolarHBondContact OE2-NH1 2.97Å; D802-R804 VanDerWaalsContact C-N 3.34Å; D802-R804 PolarHBondContact O-N 2.95Å; R804-I807 PolarHBondContact O-N 3.07Å; R804-A808 PolarHBondContact O-N 2.85Å |
| 805 | N | 93.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -48 | 174.9 | -66.7 | -36.6 | 0 | 0 | 0 | 111.2 | E801 D802 I807 A808 E809 | E801-N805 PolarHBondContact O-N 3.25Å; E801-N805 PolarHBondContact O-ND2 3.5Å; D802-N805 WeakPolarHBondContact O-CB 3.45Å; D802-N805 PolarHBondContact O-N 3.41Å; N805-I807 VanDerWaalsContact C-N 3.31Å; N805-I807 PolarHBondContact O-N 3.12Å; N805-A808 CarbonylContact O-C 2.83Å; N805-A808 WeakPolarHBondContact O-CA 3.26Å; N805-A808 VanDerWaalsContact O-CB 3.29Å; N805-A808 WeakPolarHBondContact O-CB 3.47Å; N805-A808 PolarHBondContact O-N 3.41Å; N805-E809 PolarHBondContact O-N 3.48Å |
| 806 | M | 93.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 174 | -177.6 | 53.8 | 55.9 | 0 | 0 | 112.4 | D802 A808 E809 L810 | D802-M806 WeakPolarHBondContact O-CB 3.44Å; D802-M806 PolarHBondContact O-N 3.34Å; M806-A808 VanDerWaalsContact C-N 3.31Å; M806-A808 PolarHBondContact O-N 2.98Å; M806-E809 PolarHBondContact O-N 2.94Å; M806-L810 HydrophobicContact CG-CD1 4.29Å; M806-L810 WeakPolarHBondContact O-CB 3.31Å; M806-L810 WeakPolarHBondContact O-CG 3.28Å; M806-L810 PolarHBondContact O-N 3.4Å; M806-L810 HydrophobicContact SD-CD1 4.49Å; M806-L810 HydrophobicContact SD-CG 4.33Å |
| 807 | I | 91.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 173.1 | -71.7 | 165.5 | 0 | 0 | 0 | 111.5 | C803 R804 N805 R811 | C803-I807 WeakPolarHBondContact O-CB 3.47Å; C803-I807 WeakPolarHBondContact O-CD1 3.38Å; C803-I807 VanDerWaalsContact O-CG1 3.23Å; C803-I807 WeakPolarHBondContact O-CG1 3.36Å; C803-I807 PolarHBondContact O-N 2.99Å; R804-I807 PolarHBondContact O-N 3.07Å; N805-I807 VanDerWaalsContact C-N 3.31Å; N805-I807 PolarHBondContact O-N 3.12Å; I807-R811 WeakPolarHBondContact O-CB 3.42Å; I807-R811 VanDerWaalsContact O-CD 3.32Å; I807-R811 WeakPolarHBondContact O-CD 3.36Å; I807-R811 WeakPolarHBondContact O-CG 3.47Å; I807-R811 PolarHBondContact O-N 3.34Å |
| 808 | A | 93.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 98.4 Ų | 98.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | R804 N805 M806 R811 I812 | R804-A808 PolarHBondContact O-N 2.85Å; N805-A808 CarbonylContact O-C 2.83Å; N805-A808 WeakPolarHBondContact O-CA 3.26Å; N805-A808 VanDerWaalsContact O-CB 3.29Å; N805-A808 WeakPolarHBondContact O-CB 3.47Å; N805-A808 PolarHBondContact O-N 3.41Å; M806-A808 VanDerWaalsContact C-N 3.31Å; M806-A808 PolarHBondContact O-N 2.98Å; A808-R811 WeakPolarHBondContact O-CB 3.49Å; A808-R811 PolarHBondContact O-N 3.12Å; A808-I812 WeakPolarHBondContact O-CG1 3.31Å; A808-I812 PolarHBondContact O-N 2.71Å; A808-I812 VanDerWaalsContact O-N 3.15Å |
| 809 | E | 92.5 | Very high | 92 | Very high | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.3 | -68.7 | -176.7 | -179 | 0 | 0 | 112 | N805 M806 R811 I812 E813 | N805-E809 PolarHBondContact O-N 3.48Å; M806-E809 PolarHBondContact O-N 2.94Å; E809-R811 PolarHBondContact O-N 3.18Å; E809-I812 CarbonylContact O-C 3.25Å; E809-I812 WeakPolarHBondContact O-CA 3.41Å; E809-I812 WeakPolarHBondContact O-CB 3.41Å; E809-I812 PolarHBondContact O-N 3.08Å; E809-E813 PolarHBondContact O-N 2.82Å |
| 810 | L | 92.2 | Very high | 91.7 | Very high | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -28.7 | 175 | -70.8 | 171.7 | 0 | 0 | 0 | 112.7 | M806 I812 E813 L814 | M806-L810 HydrophobicContact CG-CD1 4.29Å; M806-L810 WeakPolarHBondContact O-CB 3.31Å; M806-L810 WeakPolarHBondContact O-CG 3.28Å; M806-L810 PolarHBondContact O-N 3.4Å; M806-L810 HydrophobicContact SD-CD1 4.49Å; M806-L810 HydrophobicContact SD-CG 4.33Å; L810-I812 VanDerWaalsContact C-N 3.32Å; L810-E813 HydrophobicContact CD2-CG 4.47Å; L810-E813 WeakPolarHBondContact O-CB 3.49Å; L810-E813 PolarHBondContact O-N 2.8Å; L810-L814 WeakPolarHBondContact O-CB 3.39Å; L810-L814 PolarHBondContact O-N 3.41Å |
| 811 | R | 94.9 | Very high | 91.4 | Very high | 166 Ų | 166 | 101.5 Ų | 101.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.4 | -25 | 169.5 | -74.7 | 163.4 | 177.1 | 167.2 | -0.8 | 112.9 | I807 A808 E809 K815 | I807-R811 WeakPolarHBondContact O-CB 3.42Å; I807-R811 VanDerWaalsContact O-CD 3.32Å; I807-R811 WeakPolarHBondContact O-CD 3.36Å; I807-R811 WeakPolarHBondContact O-CG 3.47Å; I807-R811 PolarHBondContact O-N 3.34Å; A808-R811 WeakPolarHBondContact O-CB 3.49Å; A808-R811 PolarHBondContact O-N 3.12Å; E809-R811 PolarHBondContact O-N 3.18Å; R811-K815 WeakPolarHBondContact O-CD 3.49Å; R811-K815 VanDerWaalsContact O-CG 3.3Å; R811-K815 WeakPolarHBondContact O-CG 3.31Å; R811-K815 PolarHBondContact O-N 3.05Å |
| 812 | I | 92.2 | Very high | 91.1 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.2 | -43 | 170.5 | -63.4 | 163.8 | 0 | 0 | 0 | 109.7 | A808 E809 L810 L814 K815 K816 | A808-I812 WeakPolarHBondContact O-CG1 3.31Å; A808-I812 PolarHBondContact O-N 2.71Å; A808-I812 VanDerWaalsContact O-N 3.15Å; E809-I812 CarbonylContact O-C 3.25Å; E809-I812 WeakPolarHBondContact O-CA 3.41Å; E809-I812 WeakPolarHBondContact O-CB 3.41Å; E809-I812 PolarHBondContact O-N 3.08Å; L810-I812 VanDerWaalsContact C-N 3.32Å; I812-L814 PolarHBondContact O-N 3.46Å; I812-K815 WeakPolarHBondContact O-CB 3.37Å; I812-K815 PolarHBondContact O-N 2.95Å; I812-K815 VanDerWaalsContact O-N 3.17Å; I812-K816 WeakPolarHBondContact O-CG 3.43Å; I812-K816 PolarHBondContact O-N 3.16Å |
| 813 | E | 88.5 | Confident | 90.8 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54 | -49.1 | 171.3 | -70.3 | -78.2 | 99.1 | 0 | 0 | 111.8 | E809 L810 K815 K816 A817 | E809-E813 PolarHBondContact O-N 2.82Å; L810-E813 HydrophobicContact CD2-CG 4.47Å; L810-E813 WeakPolarHBondContact O-CB 3.49Å; L810-E813 PolarHBondContact O-N 2.8Å; E813-K815 VanDerWaalsContact C-N 3.29Å; E813-K815 PolarHBondContact O-N 3.47Å; E813-K816 CarbonylContact O-C 3.3Å; E813-K816 WeakPolarHBondContact O-CA 3.42Å; E813-K816 VanDerWaalsContact O-CB 3.31Å; E813-K816 WeakPolarHBondContact O-CB 3.46Å; E813-K816 PolarHBondContact O-N 2.68Å; E813-K816 WeakPolarHBondContact OE1-CE 3.15Å; E813-K816 IonicContact OE1-NZ 2.8Å; E813-K816 PolarHBondContact OE1-NZ 3.05Å; E813-A817 PolarHBondContact O-N 3.33Å |
| 814 | L | 90.7 | Very high | 90.3 | Very high | 121 Ų | 121 | 102 Ų | 102 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -35.1 | 178.4 | -173.9 | 148.1 | 0 | 0 | 0 | 112 | L810 I812 A817 N818 | L810-L814 WeakPolarHBondContact O-CB 3.39Å; L810-L814 PolarHBondContact O-N 3.41Å; I812-L814 PolarHBondContact O-N 3.46Å; L814-A817 PolarHBondContact O-N 3.42Å; L814-N818 WeakPolarHBondContact O-CB 3.45Å; L814-N818 PolarHBondContact O-N 2.75Å |
| 815 | K | 90.6 | Very high | 90 | Very high | 137 Ų | 137 | 101 Ų | 101 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 170.4 | -71.6 | 168 | -177 | 177.8 | 0 | 111.7 | R811 I812 E813 A817 N818 N819 | R811-K815 WeakPolarHBondContact O-CD 3.49Å; R811-K815 VanDerWaalsContact O-CG 3.3Å; R811-K815 WeakPolarHBondContact O-CG 3.31Å; R811-K815 PolarHBondContact O-N 3.05Å; I812-K815 WeakPolarHBondContact O-CB 3.37Å; I812-K815 PolarHBondContact O-N 2.95Å; I812-K815 VanDerWaalsContact O-N 3.17Å; E813-K815 VanDerWaalsContact C-N 3.29Å; E813-K815 PolarHBondContact O-N 3.47Å; K815-A817 VanDerWaalsContact C-N 3.33Å; K815-A817 PolarHBondContact O-N 3.46Å; K815-N818 PolarHBondContact O-N 3.41Å; K815-N819 PolarHBondContact O-N 3.05Å; K815-N819 PolarHBondContact O-ND2 2.89Å; K815-N819 PolarHBondContact O-OD1 3.4Å |
| 816 | K | 88.8 | Confident | 89.7 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.9 | -58.8 | 171.6 | -166.3 | 169.4 | 0 | 111 | I812 E813 N819 K820 | I812-K816 WeakPolarHBondContact O-CG 3.43Å; I812-K816 PolarHBondContact O-N 3.16Å; E813-K816 CarbonylContact O-C 3.3Å; E813-K816 WeakPolarHBondContact O-CA 3.42Å; E813-K816 VanDerWaalsContact O-CB 3.31Å; E813-K816 WeakPolarHBondContact O-CB 3.46Å; E813-K816 PolarHBondContact O-N 2.68Å; E813-K816 WeakPolarHBondContact OE1-CE 3.15Å; E813-K816 IonicContact OE1-NZ 2.8Å; E813-K816 PolarHBondContact OE1-NZ 3.05Å; K816-N819 PolarHBondContact O-N 3.42Å; K816-K820 PolarHBondContact O-N 3.15Å |
| 817 | A | 86.2 | Confident | 89.2 | Confident | 50 Ų | 50 | 101.4 Ų | 101.4 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E813 L814 K815 N819 K820 V821 | E813-A817 PolarHBondContact O-N 3.33Å; L814-A817 PolarHBondContact O-N 3.42Å; K815-A817 VanDerWaalsContact C-N 3.33Å; K815-A817 PolarHBondContact O-N 3.46Å; A817-N819 VanDerWaalsContact C-N 3.27Å; A817-N819 PolarHBondContact O-N 2.96Å; A817-K820 WeakPolarHBondContact O-CA 3.28Å; A817-K820 VanDerWaalsContact O-CB 3.31Å; A817-K820 WeakPolarHBondContact O-CB 3.45Å; A817-K820 PolarHBondContact O-N 3.09Å; A817-V821 PolarHBondContact O-N 3.18Å |
| 818 | N | 91.5 | Very high | 88.9 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 175.1 | -167.9 | 80.6 | 0 | 0 | 0 | 112.1 | L814 K815 K820 V821 C822 | L814-N818 WeakPolarHBondContact O-CB 3.45Å; L814-N818 PolarHBondContact O-N 2.75Å; K815-N818 PolarHBondContact O-N 3.41Å; N818-K820 VanDerWaalsContact C-N 3.31Å; N818-K820 PolarHBondContact O-N 3.13Å; N818-V821 PolarHBondContact O-N 2.82Å; N818-C822 PolarHBondContact O-N 3.32Å |
| 819 | N | 90.1 | Very high | 88.5 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -33.3 | 172.2 | -66.1 | -15.3 | 0 | 0 | 0 | 112.4 | K815 K816 A817 H823 | K815-N819 PolarHBondContact O-N 3.05Å; K815-N819 PolarHBondContact O-ND2 2.89Å; K815-N819 PolarHBondContact O-OD1 3.4Å; K816-N819 PolarHBondContact O-N 3.42Å; A817-N819 VanDerWaalsContact C-N 3.27Å; A817-N819 PolarHBondContact O-N 2.96Å; N819-H823 PolarHBondContact O-N 3.27Å |
| 820 | K | 88.2 | Confident | 88 | Confident | 154 Ų | 154 | 104.3 Ų | 104.3 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 171 | -64.8 | 177.7 | -179.2 | 178.7 | 0 | 112 | K816 A817 N818 H823 T824 | K816-K820 PolarHBondContact O-N 3.15Å; A817-K820 WeakPolarHBondContact O-CA 3.28Å; A817-K820 VanDerWaalsContact O-CB 3.31Å; A817-K820 WeakPolarHBondContact O-CB 3.45Å; A817-K820 PolarHBondContact O-N 3.09Å; N818-K820 VanDerWaalsContact C-N 3.31Å; N818-K820 PolarHBondContact O-N 3.13Å; K820-H823 CarbonylContact O-C 3.59Å; K820-H823 WeakPolarHBondContact O-CB 3.22Å; K820-H823 PolarHBondContact O-N 3.36Å; K820-T824 PolarHBondContact O-N 3.42Å; K820-T824 PolarHBondContact O-OG1 2.93Å |
| 821 | V | 87 | Confident | 87.6 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | A817 N818 H823 T824 E825 | A817-V821 PolarHBondContact O-N 3.18Å; N818-V821 PolarHBondContact O-N 2.82Å; V821-H823 VanDerWaalsContact C-N 3.27Å; V821-H823 PolarHBondContact O-N 2.65Å; V821-T824 WeakPolarHBondContact CA-OG1 3.43Å; V821-T824 CarbonylContact O-C 3.54Å; V821-T824 WeakPolarHBondContact O-CA 3.46Å; V821-T824 PolarHBondContact O-N 2.87Å; V821-T824 PolarHBondContact O-OG1 2.85Å; V821-E825 PolarHBondContact O-N 2.89Å |
| 822 | C | 86.9 | Confident | 87.2 | Confident | 73 Ų | 73 | 99.7 Ų | 99.7 | 49% | 0.493 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | N818 E825 L826 | N818-C822 PolarHBondContact O-N 3.32Å; C822-E825 PolarHBondContact O-N 3.28Å; C822-L826 PolarHBondContact O-N 3.2Å |
| 823 | H | 87 | Confident | 86.9 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -35 | 172.3 | -176.2 | 72.6 | 0 | 0 | 0 | 113.1 | N819 K820 V821 L826 L827 | N819-H823 PolarHBondContact O-N 3.27Å; K820-H823 CarbonylContact O-C 3.59Å; K820-H823 WeakPolarHBondContact O-CB 3.22Å; K820-H823 PolarHBondContact O-N 3.36Å; V821-H823 VanDerWaalsContact C-N 3.27Å; V821-H823 PolarHBondContact O-N 2.65Å; H823-L826 WeakPolarHBondContact O-CB 3.48Å; H823-L826 PolarHBondContact O-N 2.85Å; H823-L827 WeakPolarHBondContact O-CG 3.28Å; H823-L827 PolarHBondContact O-N 3.4Å |
| 824 | T | 82.3 | Confident | 86.6 | Confident | 81 Ų | 81 | 103.2 Ų | 103.2 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.3 | -30.8 | 172.7 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | K820 V821 L826 L827 L828 | K820-T824 PolarHBondContact O-N 3.42Å; K820-T824 PolarHBondContact O-OG1 2.93Å; V821-T824 WeakPolarHBondContact CA-OG1 3.43Å; V821-T824 CarbonylContact O-C 3.54Å; V821-T824 WeakPolarHBondContact O-CA 3.46Å; V821-T824 PolarHBondContact O-N 2.87Å; V821-T824 PolarHBondContact O-OG1 2.85Å; T824-L826 VanDerWaalsContact C-N 3.34Å; T824-L827 PolarHBondContact O-N 3.06Å; T824-L828 WeakPolarHBondContact O-CB 3.36Å; T824-L828 PolarHBondContact O-N 3.07Å |
| 825 | E | 87.8 | Confident | 86.3 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 169.9 | -68.6 | 178.5 | 116 | 0 | 0 | 111.6 | V821 C822 L828 S829 | V821-E825 PolarHBondContact O-N 2.89Å; C822-E825 PolarHBondContact O-N 3.28Å; E825-L828 PolarHBondContact O-N 2.84Å; E825-S829 WeakPolarHBondContact O-CB 3.49Å; E825-S829 PolarHBondContact O-N 3.16Å; E825-S829 PolarHBondContact O-OG 3.29Å |
| 826 | L | 87.5 | Confident | 86 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 171.3 | 180 | 67.2 | 0 | 0 | 0 | 111.8 | C822 H823 T824 S829 Q830 | C822-L826 PolarHBondContact O-N 3.2Å; H823-L826 WeakPolarHBondContact O-CB 3.48Å; H823-L826 PolarHBondContact O-N 2.85Å; T824-L826 VanDerWaalsContact C-N 3.34Å; L826-S829 WeakPolarHBondContact O-CB 3.23Å; L826-S829 PolarHBondContact O-N 3.31Å; L826-Q830 PolarHBondContact O-N 3.2Å |
| 827 | L | 84.2 | Confident | 85.7 | Confident | 74 Ų | 74 | 99.2 Ų | 99.2 | 39% | 0.387 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175 | -71.3 | 170.7 | 0 | 0 | 0 | 112.2 | H823 T824 S829 Q830 V831 | H823-L827 WeakPolarHBondContact O-CG 3.28Å; H823-L827 PolarHBondContact O-N 3.4Å; T824-L827 PolarHBondContact O-N 3.06Å; L827-S829 VanDerWaalsContact C-N 3.31Å; L827-S829 PolarHBondContact O-N 3.04Å; L827-Q830 CarbonylContact O-C 3.56Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 3.04Å; L827-Q830 VanDerWaalsContact O-N 3.14Å; L827-V831 WeakPolarHBondContact O-CG2 3.36Å; L827-V831 PolarHBondContact O-N 2.92Å |
| 828 | L | 83.9 | Confident | 85.5 | Confident | 123 Ų | 123 | 100.5 Ų | 100.5 | 64% | 0.644 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 174.1 | -175.7 | 65.2 | 0 | 0 | 0 | 111.2 | T824 E825 Q830 V831 S832 | T824-L828 WeakPolarHBondContact O-CB 3.36Å; T824-L828 PolarHBondContact O-N 3.07Å; E825-L828 PolarHBondContact O-N 2.84Å; L828-Q830 VanDerWaalsContact C-N 3.32Å; L828-Q830 PolarHBondContact O-N 3.02Å; L828-V831 PolarHBondContact O-N 3.5Å; L828-S832 WeakPolarHBondContact O-CB 3.3Å; L828-S832 PolarHBondContact O-N 3.38Å |
| 829 | S | 85.1 | Confident | 85.1 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | E825 L826 L827 S832 Q833 | E825-S829 WeakPolarHBondContact O-CB 3.49Å; E825-S829 PolarHBondContact O-N 3.16Å; E825-S829 PolarHBondContact O-OG 3.29Å; L826-S829 WeakPolarHBondContact O-CB 3.23Å; L826-S829 PolarHBondContact O-N 3.31Å; L827-S829 VanDerWaalsContact C-N 3.31Å; L827-S829 PolarHBondContact O-N 3.04Å; S829-S832 WeakPolarHBondContact O-CB 3.45Å; S829-S832 PolarHBondContact O-N 3.3Å; S829-Q833 PolarHBondContact O-N 3.33Å |
| 830 | Q | 82 | Confident | 84.8 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 175.2 | -168.3 | -176.5 | 80.1 | 0 | 0 | 112.7 | L826 L827 L828 Q833 K834 | L826-Q830 PolarHBondContact O-N 3.2Å; L827-Q830 CarbonylContact O-C 3.56Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 3.04Å; L827-Q830 VanDerWaalsContact O-N 3.14Å; L828-Q830 VanDerWaalsContact C-N 3.32Å; L828-Q830 PolarHBondContact O-N 3.02Å; Q830-Q833 PolarHBondContact O-N 2.88Å; Q830-K834 WeakPolarHBondContact O-CG 3.44Å; Q830-K834 PolarHBondContact O-N 3.11Å |
| 831 | V | 83.6 | Confident | 84.5 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 173 | 171.7 | 0 | 0 | 0 | 0 | 111 | L827 L828 Q833 K834 L835 | L827-V831 WeakPolarHBondContact O-CG2 3.36Å; L827-V831 PolarHBondContact O-N 2.92Å; L828-V831 PolarHBondContact O-N 3.5Å; V831-Q833 VanDerWaalsContact C-N 3.29Å; V831-Q833 PolarHBondContact O-N 3.27Å; V831-K834 CarbonylContact O-C 3.6Å; V831-K834 WeakPolarHBondContact O-CA 3.36Å; V831-K834 WeakPolarHBondContact O-CB 3.37Å; V831-K834 PolarHBondContact O-N 3.25Å; V831-K834 VanDerWaalsContact O-N 3.07Å; V831-L835 PolarHBondContact O-N 2.92Å |
| 832 | S | 86.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | L828 S829 K834 L835 S836 | L828-S832 WeakPolarHBondContact O-CB 3.3Å; L828-S832 PolarHBondContact O-N 3.38Å; S829-S832 WeakPolarHBondContact O-CB 3.45Å; S829-S832 PolarHBondContact O-N 3.3Å; S832-K834 PolarHBondContact O-N 2.82Å; S832-L835 WeakPolarHBondContact O-CB 3.11Å; S832-L835 PolarHBondContact O-N 3.33Å; S832-S836 PolarHBondContact O-N 2.93Å |
| 833 | Q | 85.5 | Confident | 84 | Confident | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.4 | -34.4 | 174.1 | -166.5 | 167.8 | 22.4 | 0 | 0 | 113.2 | S829 Q830 V831 L835 S836 N837 | S829-Q833 PolarHBondContact O-N 3.33Å; Q830-Q833 PolarHBondContact O-N 2.88Å; V831-Q833 VanDerWaalsContact C-N 3.29Å; V831-Q833 PolarHBondContact O-N 3.27Å; Q833-L835 VanDerWaalsContact C-N 3.34Å; Q833-S836 PolarHBondContact O-N 3.03Å; Q833-N837 PolarHBondContact O-N 3.28Å; Q833-N837 PolarHBondContact O-OD1 3.08Å |
| 834 | K | 83 | Confident | 83.5 | Confident | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -33.3 | 171.6 | -77.5 | -178.7 | 177.1 | 179.4 | 0 | 112.8 | Q830 V831 S832 N837 S838 | Q830-K834 WeakPolarHBondContact O-CG 3.44Å; Q830-K834 PolarHBondContact O-N 3.11Å; V831-K834 CarbonylContact O-C 3.6Å; V831-K834 WeakPolarHBondContact O-CA 3.36Å; V831-K834 WeakPolarHBondContact O-CB 3.37Å; V831-K834 PolarHBondContact O-N 3.25Å; V831-K834 VanDerWaalsContact O-N 3.07Å; S832-K834 PolarHBondContact O-N 2.82Å; K834-N837 PolarHBondContact O-N 3.49Å; K834-S838 PolarHBondContact O-N 3.22Å |
| 835 | L | 84 | Confident | 83.4 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 174.8 | -166.1 | 73.8 | 0 | 0 | 0 | 110.6 | V831 S832 Q833 N837 S838 E839 | V831-L835 PolarHBondContact O-N 2.92Å; S832-L835 WeakPolarHBondContact O-CB 3.11Å; S832-L835 PolarHBondContact O-N 3.33Å; Q833-L835 VanDerWaalsContact C-N 3.34Å; L835-N837 VanDerWaalsContact C-N 3.31Å; L835-N837 PolarHBondContact O-N 2.82Å; L835-S838 WeakPolarHBondContact O-CA 3.27Å; L835-S838 WeakPolarHBondContact O-CB 3.4Å; L835-S838 PolarHBondContact O-N 2.96Å; L835-E839 PolarHBondContact O-N 2.72Å |
| 836 | S | 84 | Confident | 82.9 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | S832 Q833 E839 S840 | S832-S836 PolarHBondContact O-N 2.93Å; Q833-S836 PolarHBondContact O-N 3.03Å; S836-E839 WeakPolarHBondContact O-CB 3.34Å; S836-E839 PolarHBondContact O-N 3.21Å; S836-S840 PolarHBondContact O-N 2.79Å |
| 837 | N | 83.2 | Confident | 82.6 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 172.3 | -68.9 | -9.4 | 0 | 0 | 0 | 111.9 | Q833 K834 L835 E839 S840 V841 | Q833-N837 PolarHBondContact O-N 3.28Å; Q833-N837 PolarHBondContact O-OD1 3.08Å; K834-N837 PolarHBondContact O-N 3.49Å; L835-N837 VanDerWaalsContact C-N 3.31Å; L835-N837 PolarHBondContact O-N 2.82Å; N837-E839 VanDerWaalsContact C-N 3.34Å; N837-E839 PolarHBondContact O-N 3.11Å; N837-S840 PolarHBondContact O-N 2.79Å; N837-S840 PolarHBondContact O-OG 3.12Å; N837-V841 PolarHBondContact O-N 3.32Å |
| 838 | S | 82.4 | Confident | 82.5 | Confident | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -38.7 | 177.7 | -165 | 0 | 0 | 0 | 0 | 112.1 | K834 L835 S840 V841 Q842 | K834-S838 PolarHBondContact O-N 3.22Å; L835-S838 WeakPolarHBondContact O-CA 3.27Å; L835-S838 WeakPolarHBondContact O-CB 3.4Å; L835-S838 PolarHBondContact O-N 2.96Å; S838-S840 VanDerWaalsContact C-N 3.3Å; S838-S840 PolarHBondContact O-N 3.07Å; S838-V841 PolarHBondContact O-N 3.49Å; S838-V841 VanDerWaalsContact O-N 3.15Å; S838-Q842 PolarHBondContact O-N 2.89Å |
| 839 | E | 83.7 | Confident | 82.3 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 173.3 | -170.1 | 177.3 | -162.5 | 0 | 0 | 111.5 | L835 S836 N837 V841 Q842 Q843 | L835-E839 PolarHBondContact O-N 2.72Å; S836-E839 WeakPolarHBondContact O-CB 3.34Å; S836-E839 PolarHBondContact O-N 3.21Å; N837-E839 VanDerWaalsContact C-N 3.34Å; N837-E839 PolarHBondContact O-N 3.11Å; E839-V841 VanDerWaalsContact C-N 3.34Å; E839-V841 PolarHBondContact O-N 2.93Å; E839-Q842 PolarHBondContact O-N 3.26Å; E839-Q843 WeakPolarHBondContact O-CG 3.28Å; E839-Q843 PolarHBondContact O-N 3.25Å |
| 840 | S | 82.8 | Confident | 82 | Confident | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -30.8 | 174.3 | 81.2 | 0 | 0 | 0 | 0 | 113.8 | S836 N837 S838 Q843 Q844 | S836-S840 PolarHBondContact O-N 2.79Å; N837-S840 PolarHBondContact O-N 2.79Å; N837-S840 PolarHBondContact O-OG 3.12Å; S838-S840 VanDerWaalsContact C-N 3.3Å; S838-S840 PolarHBondContact O-N 3.07Å; S840-Q843 PolarHBondContact O-N 3.01Å; S840-Q844 PolarHBondContact O-N 3.07Å |
| 841 | V | 81.2 | Confident | 81.6 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 52% | 0.515 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.6 | -35 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | N837 S838 E839 Q843 Q844 M845 | N837-V841 PolarHBondContact O-N 3.32Å; S838-V841 PolarHBondContact O-N 3.49Å; S838-V841 VanDerWaalsContact O-N 3.15Å; E839-V841 VanDerWaalsContact C-N 3.34Å; E839-V841 PolarHBondContact O-N 2.93Å; V841-Q843 VanDerWaalsContact C-N 3.31Å; V841-Q843 PolarHBondContact O-N 3.11Å; V841-Q844 WeakPolarHBondContact O-CB 3.48Å; V841-Q844 PolarHBondContact O-N 3Å; V841-Q844 VanDerWaalsContact O-N 3.12Å; V841-M845 PolarHBondContact O-N 3.48Å |
| 842 | Q | 83.1 | Confident | 81.2 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.7 | -40 | 172.4 | -173.7 | 172 | -24.1 | 0 | 0 | 111.6 | S838 E839 Q844 M845 E846 | S838-Q842 PolarHBondContact O-N 2.89Å; E839-Q842 PolarHBondContact O-N 3.26Å; Q842-Q844 VanDerWaalsContact C-N 3.3Å; Q842-Q844 PolarHBondContact O-N 3.29Å; Q842-M845 WeakPolarHBondContact O-CB 3.25Å; Q842-M845 PolarHBondContact O-N 2.99Å; Q842-M845 VanDerWaalsContact O-N 3.15Å; Q842-E846 PolarHBondContact O-N 3.24Å |
| 843 | Q | 81.3 | Confident | 80.8 | Confident | 123 Ų | 123 | 112 Ų | 112 | 58% | 0.575 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -34.2 | 172.7 | -65.4 | 171.5 | 11.3 | 0 | 0 | 112.7 | E839 S840 V841 F847 | E839-Q843 WeakPolarHBondContact O-CG 3.28Å; E839-Q843 PolarHBondContact O-N 3.25Å; S840-Q843 PolarHBondContact O-N 3.01Å; V841-Q843 VanDerWaalsContact C-N 3.31Å; V841-Q843 PolarHBondContact O-N 3.11Å; Q843-F847 PolarHBondContact O-N 3.01Å |
| 844 | Q | 77.2 | Confident | 80.1 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.2 | -35.7 | 172.5 | -69.2 | -175.2 | -5.7 | 0 | 0 | 112.8 | S840 V841 Q842 F847 L848 | S840-Q844 PolarHBondContact O-N 3.07Å; V841-Q844 WeakPolarHBondContact O-CB 3.48Å; V841-Q844 PolarHBondContact O-N 3Å; V841-Q844 VanDerWaalsContact O-N 3.12Å; Q842-Q844 VanDerWaalsContact C-N 3.3Å; Q842-Q844 PolarHBondContact O-N 3.29Å; Q844-F847 WeakPolarHBondContact O-CB 3.38Å; Q844-F847 PolarHBondContact O-N 2.66Å; Q844-L848 PolarHBondContact O-N 3.06Å |
| 845 | M | 79.2 | Confident | 79.3 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 66% | 0.655 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.2 | -42.7 | 173.7 | -178.5 | 177.9 | 171 | 0 | 0 | 111.3 | V841 Q842 F847 L848 N849 | V841-M845 PolarHBondContact O-N 3.48Å; Q842-M845 WeakPolarHBondContact O-CB 3.25Å; Q842-M845 PolarHBondContact O-N 2.99Å; Q842-M845 VanDerWaalsContact O-N 3.15Å; M845-F847 VanDerWaalsContact C-N 3.3Å; M845-F847 PolarHBondContact O-N 3.46Å; M845-L848 PolarHBondContact O-N 3.46Å; M845-N849 PolarHBondContact O-N 3.05Å |
| 846 | E | 78.2 | Confident | 78.8 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 174.3 | -71.1 | -176.3 | -168.1 | 0 | 0 | 112.7 | Q842 N849 R850 | Q842-E846 PolarHBondContact O-N 3.24Å; E846-N849 PolarHBondContact O-N 3.35Å; E846-R850 WeakPolarHBondContact O-CG 3.17Å; E846-R850 PolarHBondContact O-N 3.16Å; E846-R850 VanDerWaalsContact O-N 3.16Å |
| 847 | F | 80.6 | Confident | 78.3 | Confident | 126 Ų | 126 | 105.5 Ų | 105.5 | 55% | 0.553 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 174.2 | 178.5 | -93.2 | 0 | 0 | 0 | 112.4 | Q843 Q844 M845 N849 R850 Q851 | Q843-F847 PolarHBondContact O-N 3.01Å; Q844-F847 WeakPolarHBondContact O-CB 3.38Å; Q844-F847 PolarHBondContact O-N 2.66Å; M845-F847 VanDerWaalsContact C-N 3.3Å; M845-F847 PolarHBondContact O-N 3.46Å; F847-N849 VanDerWaalsContact C-N 3.33Å; F847-N849 PolarHBondContact O-N 3.45Å; F847-R850 WeakPolarHBondContact O-CB 3.3Å; F847-R850 PolarHBondContact O-N 3.19Å; F847-Q851 HydrophobicContact CE1-CG 4.13Å; F847-Q851 HydrophobicContact CZ-CG 4.45Å; F847-Q851 PolarHBondContact O-N 2.85Å; F847-Q851 VanDerWaalsContact O-N 3.09Å |
| 848 | L | 81.5 | Confident | 77.5 | Confident | 111 Ų | 111 | 104.4 Ų | 104.4 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 175 | -98.8 | 161.8 | 0 | 0 | 0 | 112.3 | Q844 M845 R850 Q851 L852 | Q844-L848 PolarHBondContact O-N 3.06Å; M845-L848 PolarHBondContact O-N 3.46Å; L848-R850 VanDerWaalsContact C-N 3.29Å; L848-R850 PolarHBondContact O-N 3.41Å; L848-Q851 WeakPolarHBondContact O-CB 3.42Å; L848-Q851 PolarHBondContact O-N 3.15Å; L848-Q851 VanDerWaalsContact O-N 3.13Å; L848-L852 PolarHBondContact O-N 3.37Å |
| 849 | N | 80.4 | Confident | 76.6 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 57% | 0.572 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | 177.1 | -137.9 | 12.6 | 0 | 0 | 0 | 111.6 | M845 E846 F847 L852 L853 | M845-N849 PolarHBondContact O-N 3.05Å; E846-N849 PolarHBondContact O-N 3.35Å; F847-N849 VanDerWaalsContact C-N 3.33Å; F847-N849 PolarHBondContact O-N 3.45Å; N849-L852 PolarHBondContact O-N 3.21Å; N849-L853 PolarHBondContact O-N 3.34Å |
| 850 | R | 78.7 | Confident | 75.7 | Confident | 174 Ų | 174 | 107.1 Ų | 107.1 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.7 | -36.4 | 171.7 | -68.3 | 168.8 | -172.9 | -95.8 | 2.7 | 112.7 | E846 F847 L848 L852 L853 V854 | E846-R850 WeakPolarHBondContact O-CG 3.17Å; E846-R850 PolarHBondContact O-N 3.16Å; E846-R850 VanDerWaalsContact O-N 3.16Å; F847-R850 WeakPolarHBondContact O-CB 3.3Å; F847-R850 PolarHBondContact O-N 3.19Å; L848-R850 VanDerWaalsContact C-N 3.29Å; L848-R850 PolarHBondContact O-N 3.41Å; R850-L852 VanDerWaalsContact C-N 3.34Å; R850-L853 PolarHBondContact O-N 3.39Å; R850-V854 WeakPolarHBondContact O-CG2 3.43Å; R850-V854 PolarHBondContact O-N 3.08Å |
| 851 | Q | 74.1 | Confident | 74.7 | Confident | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 173.8 | -73.9 | -168 | -26 | 0 | 0 | 112.4 | F847 L848 L853 V854 L855 | F847-Q851 HydrophobicContact CE1-CG 4.13Å; F847-Q851 HydrophobicContact CZ-CG 4.45Å; F847-Q851 PolarHBondContact O-N 2.85Å; F847-Q851 VanDerWaalsContact O-N 3.09Å; L848-Q851 WeakPolarHBondContact O-CB 3.42Å; L848-Q851 PolarHBondContact O-N 3.15Å; L848-Q851 VanDerWaalsContact O-N 3.13Å; Q851-L853 VanDerWaalsContact C-N 3.33Å; Q851-L853 PolarHBondContact O-N 2.86Å; Q851-V854 PolarHBondContact O-N 2.83Å; Q851-L855 WeakPolarHBondContact O-CG 3.29Å; Q851-L855 PolarHBondContact O-N 3.45Å |
| 852 | L | 74.7 | Confident | 73.6 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 63% | 0.628 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -37.9 | 177.6 | -166.3 | 70.5 | 0 | 0 | 0 | 112 | L848 N849 R850 L855 G856 | L848-L852 PolarHBondContact O-N 3.37Å; N849-L852 PolarHBondContact O-N 3.21Å; R850-L852 VanDerWaalsContact C-N 3.34Å; L852-L855 PolarHBondContact O-N 3.32Å; L852-G856 PolarHBondContact O-N 3.07Å; L852-G856 VanDerWaalsContact O-N 3.09Å |
| 853 | L | 78 | Confident | 72.5 | Confident | 115 Ų | 115 | 112.8 Ų | 112.8 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -49.4 | 174.7 | -172.2 | 68 | 0 | 0 | 0 | 111.6 | N849 R850 Q851 L855 G856 E857 | N849-L853 PolarHBondContact O-N 3.34Å; R850-L853 PolarHBondContact O-N 3.39Å; Q851-L853 VanDerWaalsContact C-N 3.33Å; Q851-L853 PolarHBondContact O-N 2.86Å; L853-L855 VanDerWaalsContact C-N 3.29Å; L853-L855 PolarHBondContact O-N 3.05Å; L853-G856 WeakPolarHBondContact O-CA 3.36Å; L853-G856 PolarHBondContact O-N 3.01Å; L853-E857 PolarHBondContact O-N 3.03Å |
| 854 | V | 70.8 | Confident | 71.5 | Confident | 76 Ų | 76 | 113.6 Ų | 113.6 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -32.6 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | R850 Q851 G856 E857 V858 | R850-V854 WeakPolarHBondContact O-CG2 3.43Å; R850-V854 PolarHBondContact O-N 3.08Å; Q851-V854 PolarHBondContact O-N 2.83Å; V854-G856 VanDerWaalsContact C-N 3.31Å; V854-E857 PolarHBondContact O-N 3.23Å; V854-V858 VanDerWaalsContact O-CG2 3.3Å; V854-V858 WeakPolarHBondContact O-CG2 3.31Å; V854-V858 PolarHBondContact O-N 2.95Å |
| 855 | L | 67.2 | Low | 70.4 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.5 | -29.2 | 171.8 | -78.7 | 165.8 | 0 | 0 | 0 | 112.9 | Q851 L852 L853 N859 | Q851-L855 WeakPolarHBondContact O-CG 3.29Å; Q851-L855 PolarHBondContact O-N 3.45Å; L852-L855 PolarHBondContact O-N 3.32Å; L853-L855 VanDerWaalsContact C-N 3.29Å; L853-L855 PolarHBondContact O-N 3.05Å; L855-N859 PolarHBondContact O-N 2.6Å |
| 856 | G | 71.6 | Confident | 69.2 | Low | 40 Ų | 40 | 115.3 Ų | 115.3 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -51.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | L852 L853 V854 V858 N859 E860 | L852-G856 PolarHBondContact O-N 3.07Å; L852-G856 VanDerWaalsContact O-N 3.09Å; L853-G856 WeakPolarHBondContact O-CA 3.36Å; L853-G856 PolarHBondContact O-N 3.01Å; V854-G856 VanDerWaalsContact C-N 3.31Å; G856-V858 VanDerWaalsContact C-N 3.29Å; G856-V858 PolarHBondContact O-N 3.49Å; G856-N859 PolarHBondContact O-N 3.17Å; G856-E860 PolarHBondContact O-N 2.64Å; G856-E860 VanDerWaalsContact O-N 3.09Å |
| 857 | E | 74.5 | Confident | 67.6 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -55.4 | -41.9 | 176.8 | -64.9 | 166.6 | 179.5 | 0 | 0 | 111.9 | L853 V854 N859 E860 L861 | L853-E857 PolarHBondContact O-N 3.03Å; V854-E857 PolarHBondContact O-N 3.23Å; E857-N859 PolarHBondContact O-N 3.46Å; E857-E860 PolarHBondContact O-N 3.3Å; E857-L861 WeakPolarHBondContact O-CB 3.32Å; E857-L861 WeakPolarHBondContact O-CG 3.44Å; E857-L861 PolarHBondContact O-N 2.95Å |
| 858 | V | 66 | Low | 65.8 | Low | 69 Ų | 69 | 119.3 Ų | 119.3 | 42% | 0.418 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.2 | -36.1 | 176 | 167 | 0 | 0 | 0 | 0 | 112.6 | V854 G856 Y862 | V854-V858 VanDerWaalsContact O-CG2 3.3Å; V854-V858 WeakPolarHBondContact O-CG2 3.31Å; V854-V858 PolarHBondContact O-N 2.95Å; G856-V858 VanDerWaalsContact C-N 3.29Å; G856-V858 PolarHBondContact O-N 3.49Å; V858-Y862 HydrophobicContact CG1-CD2 4.1Å; V858-Y862 HydrophobicContact CG1-CE2 4.42Å; V858-Y862 WeakPolarHBondContact O-CD2 3.42Å; V858-Y862 PolarHBondContact O-N 3.43Å |
| 859 | N | 64.4 | Low | 63.6 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 60% | 0.599 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.1 | -32.3 | 179.5 | -173.4 | 76.9 | 0 | 0 | 0 | 112.5 | L855 G856 E857 | L855-N859 PolarHBondContact O-N 2.6Å; G856-N859 PolarHBondContact O-N 3.17Å; E857-N859 PolarHBondContact O-N 3.46Å |
| 860 | E | 65.2 | Low | 61.5 | Low | 139 Ų | 139 | 124.3 Ų | 124.3 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.1 | -47 | 173.1 | -167.4 | 161.5 | -153.5 | 0 | 0 | 111 | G856 E857 Y862 L863 E864 | G856-E860 PolarHBondContact O-N 2.64Å; G856-E860 VanDerWaalsContact O-N 3.09Å; E857-E860 PolarHBondContact O-N 3.3Å; E860-Y862 VanDerWaalsContact C-N 3.26Å; E860-Y862 PolarHBondContact O-N 2.94Å; E860-L863 WeakPolarHBondContact O-CB 3.38Å; E860-L863 PolarHBondContact O-N 3.41Å; E860-E864 PolarHBondContact O-N 3.29Å |
| 861 | L | 60.2 | Low | 59.5 | Low | 95 Ų | 95 | 120.9 Ų | 120.9 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.5 | -29.3 | 174.9 | -75.3 | 167 | 0 | 0 | 0 | 113.7 | E857 L863 E864 Q865 | E857-L861 WeakPolarHBondContact O-CB 3.32Å; E857-L861 WeakPolarHBondContact O-CG 3.44Å; E857-L861 PolarHBondContact O-N 2.95Å; L861-L863 VanDerWaalsContact C-N 3.25Å; L861-L863 PolarHBondContact O-N 3.41Å; L861-E864 PolarHBondContact O-N 2.95Å; L861-Q865 WeakPolarHBondContact O-CG 3.21Å; L861-Q865 PolarHBondContact O-N 3.38Å |
| 862 | Y | 59.4 | Low | 58 | Low | 158 Ų | 158 | 123.5 Ų | 123.5 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -22.4 | 174.8 | -111.7 | -73.6 | 0 | 0 | 0 | 113.7 | V858 E860 | V858-Y862 HydrophobicContact CG1-CD2 4.1Å; V858-Y862 HydrophobicContact CG1-CE2 4.42Å; V858-Y862 WeakPolarHBondContact O-CD2 3.42Å; V858-Y862 PolarHBondContact O-N 3.43Å; E860-Y862 VanDerWaalsContact C-N 3.26Å; E860-Y862 PolarHBondContact O-N 2.94Å |
| 863 | L | 59.8 | Low | 56.9 | Low | 132 Ų | 132 | 123 Ų | 123 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.3 | -38.5 | 172.5 | -73.7 | 163.2 | 0 | 0 | 0 | 111.5 | E860 L861 Q865 | E860-L863 WeakPolarHBondContact O-CB 3.38Å; E860-L863 PolarHBondContact O-N 3.41Å; L861-L863 VanDerWaalsContact C-N 3.25Å; L861-L863 PolarHBondContact O-N 3.41Å; L863-Q865 VanDerWaalsContact C-N 3.33Å; L863-Q865 PolarHBondContact O-N 2.84Å |
| 864 | E | 59.2 | Low | 55.7 | Low | 139 Ų | 139 | 123 Ų | 123 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.9 | -25.5 | 177.2 | -63.7 | -161.7 | 127.7 | 0 | 0 | 113.4 | E860 L861 L866 Q867 | E860-E864 PolarHBondContact O-N 3.29Å; L861-E864 PolarHBondContact O-N 2.95Å; E864-L866 PolarHBondContact O-N 3.35Å; E864-Q867 PolarHBondContact O-N 2.93Å; E864-Q867 VanDerWaalsContact O-N 3.13Å |
| 865 | Q | 54.3 | Low | 55 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -6 | 176.7 | -88.6 | -175.2 | 16.5 | 0 | 0 | 115.8 | L861 L863 | L861-Q865 WeakPolarHBondContact O-CG 3.21Å; L861-Q865 PolarHBondContact O-N 3.38Å; L863-Q865 VanDerWaalsContact C-N 3.33Å; L863-Q865 PolarHBondContact O-N 2.84Å |
| 866 | L | 54.1 | Low | 54.5 | Low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -3.2 | 174.9 | -90.6 | 162.8 | 0 | 0 | 0 | 114.9 | E864 | E864-L866 PolarHBondContact O-N 3.35Š|
| 867 | Q | 45.4 | Very low | 54 | Low | 157 Ų | 157 | 133.2 Ų | 133.2 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -131.9 | 127.2 | 176.2 | -63.7 | -169.1 | 5.6 | 0 | 0 | 114.2 | E864 | E864-Q867 PolarHBondContact O-N 2.93Å; E864-Q867 VanDerWaalsContact O-N 3.13Å |
| 868 | N | 42.2 | Very low | 53.5 | Low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | 73.4 | 174.9 | 169.6 | -55.5 | -44.6 | 0 | 0 | 0 | 117.5 | ||||
| 869 | K | 34.7 | Very low | 53.3 | Low | 170 Ų | 170 | 140.2 Ų | 140.2 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -156.8 | 146.8 | -145.4 | -112 | -179.7 | 160.9 | -147 | 0 | 114.3 | ||||
| 870 | H | 37.4 | Very low | 53.1 | Low | 153 Ų | 153 | 141.4 Ų | 141.4 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 70.5 | 149.1 | 159.9 | -55.1 | -38.1 | 0 | 0 | 0 | 116.1 | ||||
| 871 | S | 36.2 | Very low | 53.1 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | cis | -164.2 | 178.4 | -6.5 | 40.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 872 | D | 42 | Very low | 53.4 | Low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | 96.6 | 157.8 | 164.4 | -70.6 | -34.1 | 0 | 0 | 0 | 121.7 | ||||
| 873 | T | 51.8 | Low | 53.7 | Low | 111 Ų | 111 | 135.9 Ų | 135.9 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | -147.3 | 163.1 | -127.5 | -39.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 874 | T | 53.3 | Low | 54.2 | Low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 95.7 | -39.7 | 149.7 | -44.2 | 0 | 0 | 0 | 0 | 119.8 | E876 | T874-E876 PolarHBondContact O-N 3.49Š| ||
| 875 | K | 56.7 | Low | 55 | Low | 192 Ų | 192 | 141.2 Ų | 141.2 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.3 | -160.1 | -74.8 | -175.1 | 178.2 | 176.1 | 0 | 118.5 | ||
| 876 | E | 56.5 | Low | 55.9 | Low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -21.2 | -169.4 | -63.3 | 178.2 | 120.4 | 0 | 0 | 114.6 | T874 E878 | T874-E876 PolarHBondContact O-N 3.49Å; E876-E878 VanDerWaalsContact C-N 3.31Å; E876-E878 PolarHBondContact O-N 2.89Å |
| 877 | V | 61.6 | Low | 56.4 | Low | 92 Ų | 92 | 140.4 Ų | 140.4 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.9 | -22.9 | -167.9 | 178.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 878 | E | 63.4 | Low | 57.4 | Low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.1 | -40.6 | -178.8 | -65.2 | -155.8 | 119 | 0 | 0 | 113.4 | E876 M880 K881 | E876-E878 VanDerWaalsContact C-N 3.31Å; E876-E878 PolarHBondContact O-N 2.89Å; E878-M880 VanDerWaalsContact C-N 3.3Å; E878-M880 PolarHBondContact O-N 2.87Å; E878-K881 PolarHBondContact O-N 3.34Å |
| 879 | M | 61.1 | Low | 58.9 | Low | 142 Ų | 142 | 136.5 Ų | 136.5 | 70% | 0.7 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -60.8 | -39.7 | -176.7 | -69 | -169.2 | -71 | 0 | 0 | 112.1 | K881 A882 | M879-K881 VanDerWaalsContact C-N 3.28Å; M879-K881 PolarHBondContact O-N 3.4Å; M879-A882 PolarHBondContact O-N 3.16Å |
| 880 | M | 61.2 | Low | 61 | Low | 137 Ų | 137 | 134.7 Ų | 134.7 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.4 | -27.6 | -178.4 | -155.2 | -170.9 | -71.4 | 0 | 0 | 113 | E878 A882 | E878-M880 VanDerWaalsContact C-N 3.3Å; E878-M880 PolarHBondContact O-N 2.87Å; M880-A882 VanDerWaalsContact C-N 3.31Å; M880-A882 PolarHBondContact O-N 2.96Å |
| 881 | K | 65.6 | Low | 62.7 | Low | 141 Ų | 141 | 132.8 Ų | 132.8 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.8 | -7.7 | 178.7 | -69.9 | 178.9 | -179.4 | 173.5 | 0 | 114.3 | E878 M879 R885 | E878-K881 PolarHBondContact O-N 3.34Å; M879-K881 VanDerWaalsContact C-N 3.28Å; M879-K881 PolarHBondContact O-N 3.4Å; K881-R885 PolarHBondContact O-NH2 3.1Å |
| 882 | A | 66 | Low | 64.4 | Low | 67 Ų | 67 | 135.7 Ų | 135.7 | 55% | 0.554 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.9 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M879 M880 | M879-A882 PolarHBondContact O-N 3.16Å; M880-A882 VanDerWaalsContact C-N 3.31Å; M880-A882 PolarHBondContact O-N 2.96Å |
| 883 | A | 64.6 | Low | 66.2 | Low | 68 Ų | 68 | 132.3 Ų | 132.3 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.8 | -54.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R885 K886 | A883-R885 PolarHBondContact O-N 2.91Å; A883-K886 PolarHBondContact O-N 3.28Å; A883-K886 VanDerWaalsContact O-N 3.1Å |
| 884 | Y | 71.3 | Confident | 67.8 | Low | 187 Ų | 187 | 132.5 Ų | 132.5 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58 | -26.8 | -172.2 | -79.1 | -72.8 | 0 | 0 | 0 | 115.3 | K886 | Y884-K886 VanDerWaalsContact C-N 3.31Å; Y884-K886 PolarHBondContact O-N 3.41Å |
| 885 | R | 75.2 | Confident | 68.9 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.5 | -19.8 | -179.5 | -87.2 | -177 | -79.8 | -174.7 | -3.9 | 113.8 | K881 A883 | K881-R885 PolarHBondContact O-NH2 3.1Å; A883-R885 PolarHBondContact O-N 2.91Å |
| 886 | K | 73.6 | Confident | 70.1 | Confident | 175 Ų | 175 | 128.9 Ų | 128.9 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.4 | -30.8 | -175.6 | -163.6 | 175.3 | -179.1 | -178.1 | 0 | 113.4 | A883 Y884 | A883-K886 PolarHBondContact O-N 3.28Å; A883-K886 VanDerWaalsContact O-N 3.1Å; Y884-K886 VanDerWaalsContact C-N 3.31Å; Y884-K886 PolarHBondContact O-N 3.41Å |
| 887 | E | 65.5 | Low | 71.5 | Confident | 105 Ų | 105 | 126.4 Ų | 126.4 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -77.9 | -30.3 | -175.3 | -149.6 | 61.3 | -141.4 | 0 | 0 | 112.9 | E889 K890 | E887-E889 PolarHBondContact O-N 3.33Å; E887-K890 IonicContact OE1-NZ 2.87Å; E887-K890 PolarHBondContact OE1-NZ 2.97Å |
| 888 | L | 66.3 | Low | 72.5 | Confident | 110 Ų | 110 | 127.8 Ų | 127.8 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -33.7 | -172.3 | -145.1 | 162.2 | 0 | 0 | 0 | 112.7 | ||
| 889 | E | 73.6 | Confident | 73.3 | Confident | 123 Ų | 123 | 124.5 Ų | 124.5 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.8 | -33.6 | -176.9 | -157.3 | 59.2 | -161.2 | 0 | 0 | 112.8 | E887 N891 R892 | E887-E889 PolarHBondContact O-N 3.33Å; E889-N891 VanDerWaalsContact C-N 3.31Å; E889-N891 PolarHBondContact O-N 3.27Å; E889-R892 PolarHBondContact O-N 2.9Å; E889-R892 IonicContact OE2-NH1 3.25Å; E889-R892 PolarHBondContact OE2-NH1 3.29Å |
| 890 | K | 79.3 | Confident | 74.5 | Confident | 133 Ų | 133 | 124.8 Ų | 124.8 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.1 | -31.9 | -176.8 | 179.9 | -178 | 163.2 | -162.8 | 0 | 113.6 | E887 S893 | E887-K890 IonicContact OE1-NZ 2.87Å; E887-K890 PolarHBondContact OE1-NZ 2.97Å; K890-S893 PolarHBondContact O-OG 3.27Å |
| 891 | N | 72.1 | Confident | 75.7 | Confident | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.6 | -19.7 | -176 | -71.7 | -31 | 0 | 0 | 0 | 113.8 | E889 | E889-N891 VanDerWaalsContact C-N 3.31Å; E889-N891 PolarHBondContact O-N 3.27Å |
| 892 | R | 72.5 | Confident | 76.6 | Confident | 163 Ų | 163 | 125 Ų | 125 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.9 | -32.4 | -178.3 | -74 | -178.4 | 170.8 | 135.3 | -3.4 | 113.6 | E889 | E889-R892 PolarHBondContact O-N 2.9Å; E889-R892 IonicContact OE2-NH1 3.25Å; E889-R892 PolarHBondContact OE2-NH1 3.29Å |
| 893 | S | 78.2 | Confident | 77.4 | Confident | 81 Ų | 81 | 127.1 Ų | 127.1 | 57% | 0.566 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.6 | -28.5 | -175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | K890 V895 | K890-S893 PolarHBondContact O-OG 3.27Å; S893-V895 PolarHBondContact O-N 3.44Å |
| 894 | H | 85.6 | Confident | 78.3 | Confident | 116 Ų | 116 | 128.5 Ų | 128.5 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.6 | -37.2 | -176.2 | -176.2 | -105 | 0 | 0 | 0 | 113.5 | L896 Q897 | H894-L896 PolarHBondContact O-N 2.78Å; H894-Q897 WeakPolarHBondContact O-CB 3.48Å; H894-Q897 PolarHBondContact O-N 2.84Å |
| 895 | V | 76.1 | Confident | 78.8 | Confident | 95 Ų | 95 | 122.6 Ų | 122.6 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | -175.1 | -179.4 | 0 | 0 | 0 | 0 | 112 | S893 Q897 Q898 | S893-V895 PolarHBondContact O-N 3.44Å; V895-Q897 PolarHBondContact O-N 3.3Å; V895-Q898 PolarHBondContact O-N 2.77Å |
| 896 | L | 82.5 | Confident | 79.2 | Confident | 136 Ų | 136 | 119.8 Ų | 119.8 | 71% | 0.712 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.4 | -25.8 | 178.1 | -94.4 | 162.8 | 0 | 0 | 0 | 113.2 | H894 Q898 | H894-L896 PolarHBondContact O-N 2.78Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.44Å |
| 897 | Q | 85.7 | Confident | 79.8 | Confident | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.5 | -19.8 | -178.5 | -157.8 | -177.3 | 29.2 | 0 | 0 | 113.4 | H894 V895 | H894-Q897 WeakPolarHBondContact O-CB 3.48Å; H894-Q897 PolarHBondContact O-N 2.84Å; V895-Q897 PolarHBondContact O-N 3.3Å |
| 898 | Q | 83.2 | Confident | 80.6 | Confident | 121 Ų | 121 | 120.1 Ų | 120.1 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.6 | -43 | 179.1 | -85.3 | -176.1 | -49.3 | 0 | 0 | 112.6 | V895 L896 Q900 R901 | V895-Q898 PolarHBondContact O-N 2.77Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.44Å; Q898-Q900 VanDerWaalsContact C-N 3.34Å; Q898-Q900 PolarHBondContact O-N 2.91Å; Q898-R901 WeakPolarHBondContact O-CB 3.19Å; Q898-R901 PolarHBondContact O-N 3.45Å |
| 899 | T | 81.1 | Confident | 81.3 | Confident | 98 Ų | 98 | 119.7 Ų | 119.7 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.1 | -42.5 | -173.2 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | R901 L902 | T899-R901 PolarHBondContact O-N 3.3Å; T899-R901 VanDerWaalsContact O-N 3.08Å; T899-L902 PolarHBondContact O-N 3.14Å |
| 900 | Q | 85.6 | Confident | 81.9 | Confident | 148 Ų | 148 | 119.6 Ų | 119.6 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.3 | -20 | 178.7 | -73.1 | -174.5 | -27.5 | 0 | 0 | 114.1 | Q898 | Q898-Q900 VanDerWaalsContact C-N 3.34Å; Q898-Q900 PolarHBondContact O-N 2.91Å |
| 901 | R | 85.6 | Confident | 82 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.2 | -29.7 | 179.1 | -62.1 | -175.5 | -179.2 | -176.4 | 0.7 | 112.4 | Q898 T899 T904 | Q898-R901 WeakPolarHBondContact O-CB 3.19Å; Q898-R901 PolarHBondContact O-N 3.45Å; T899-R901 PolarHBondContact O-N 3.3Å; T899-R901 VanDerWaalsContact O-N 3.08Å; R901-T904 PolarHBondContact O-N 3.11Å; R901-T904 PolarHBondContact O-OG1 3.14Å |
| 902 | L | 84 | Confident | 82.7 | Confident | 123 Ų | 123 | 117 Ų | 117 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -43.1 | -176.7 | -78.2 | 168.5 | 0 | 0 | 0 | 112.6 | T899 T904 S905 | T899-L902 PolarHBondContact O-N 3.14Å; L902-T904 PolarHBondContact O-N 3.15Å; L902-T904 VanDerWaalsContact O-N 3.16Å; L902-S905 WeakPolarHBondContact O-CB 3.49Å; L902-S905 PolarHBondContact O-N 3.38Å; L902-S905 PolarHBondContact O-OG 3.42Å |
| 903 | D | 84.2 | Confident | 83.2 | Confident | 110 Ų | 110 | 115.1 Ų | 115.1 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61 | -27.3 | 178.6 | -68 | -14.5 | 0 | 0 | 0 | 113 | S905 | D903-S905 VanDerWaalsContact C-N 3.28Å; D903-S905 PolarHBondContact O-N 2.73Å |
| 904 | T | 82.6 | Confident | 83.4 | Confident | 98 Ų | 98 | 114.1 Ų | 114.1 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.4 | -26.9 | 175.3 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | R901 L902 | R901-T904 PolarHBondContact O-N 3.11Å; R901-T904 PolarHBondContact O-OG1 3.14Å; L902-T904 PolarHBondContact O-N 3.15Å; L902-T904 VanDerWaalsContact O-N 3.16Å |
| 905 | S | 81.7 | Confident | 83.1 | Confident | 62 Ų | 62 | 113 Ų | 113 | 43% | 0.434 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.1 | -36.8 | -177.1 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | L902 D903 K907 R908 | L902-S905 WeakPolarHBondContact O-CB 3.49Å; L902-S905 PolarHBondContact O-N 3.38Å; L902-S905 PolarHBondContact O-OG 3.42Å; D903-S905 VanDerWaalsContact C-N 3.28Å; D903-S905 PolarHBondContact O-N 2.73Å; S905-K907 PolarHBondContact O-N 2.94Å; S905-R908 WeakPolarHBondContact O-CB 3.18Å; S905-R908 PolarHBondContact O-N 2.97Å |
| 906 | Q | 84.7 | Confident | 83.2 | Confident | 138 Ų | 138 | 113.6 Ų | 113.6 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | 178.4 | -79.5 | -174.6 | -26.7 | 0 | 0 | 112.4 | R908 I909 | Q906-R908 PolarHBondContact O-N 2.97Å; Q906-I909 PolarHBondContact O-N 2.95Å; Q906-I909 VanDerWaalsContact O-N 3.13Å |
| 907 | K | 85.2 | Confident | 83.2 | Confident | 159 Ų | 159 | 110.3 Ų | 110.3 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.7 | -31.4 | 176.8 | -68.6 | -179 | 179.2 | 177.4 | 0 | 112.6 | S905 I909 | S905-K907 PolarHBondContact O-N 2.94Å; K907-I909 VanDerWaalsContact C-N 3.27Å; K907-I909 PolarHBondContact O-N 2.98Å |
| 908 | R | 82.9 | Confident | 83.1 | Confident | 128 Ų | 128 | 111.2 Ų | 111.2 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.4 | -24.1 | 179 | -173.6 | 53.1 | 172.7 | 179 | 1.8 | 113.5 | S905 Q906 E911 L912 | S905-R908 WeakPolarHBondContact O-CB 3.18Å; S905-R908 PolarHBondContact O-N 2.97Å; Q906-R908 PolarHBondContact O-N 2.97Å; R908-E911 WeakPolarHBondContact CD-OE2 3.37Å; R908-E911 IonicContact CZ-OE2 2.59Å; R908-E911 IonicContact NE-OE2 3.96Å; R908-E911 IonicContact NH1-OE1 2.71Å; R908-E911 IonicContact NH1-OE2 3.61Å; R908-E911 PolarHBondContact NH1-OE2 3.33Å; R908-L912 WeakPolarHBondContact O-CG 3.45Å; R908-L912 PolarHBondContact O-N 3.44Å |
| 909 | I | 80.7 | Confident | 83 | Confident | 100 Ų | 100 | 112 Ų | 112 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.9 | -44.8 | -179.6 | -59.9 | 176.7 | 0 | 0 | 0 | 110.3 | Q906 K907 E911 L912 E913 | Q906-I909 PolarHBondContact O-N 2.95Å; Q906-I909 VanDerWaalsContact O-N 3.13Å; K907-I909 VanDerWaalsContact C-N 3.27Å; K907-I909 PolarHBondContact O-N 2.98Å; I909-E911 VanDerWaalsContact C-N 3.28Å; I909-E911 PolarHBondContact O-N 2.97Å; I909-L912 WeakPolarHBondContact O-CB 3.48Å; I909-L912 PolarHBondContact O-N 3.14Å; I909-E913 PolarHBondContact O-N 2.81Å |
| 910 | L | 86.9 | Confident | 83.1 | Confident | 122 Ų | 122 | 111.6 Ų | 111.6 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.9 | -31.8 | 178.2 | -64.9 | 170.5 | 0 | 0 | 0 | 112.8 | L912 S914 | L910-L912 VanDerWaalsContact C-N 3.32Å; L910-L912 PolarHBondContact O-N 2.99Å; L910-S914 PolarHBondContact O-N 2.81Å |
| 911 | E | 81.9 | Confident | 83 | Confident | 96 Ų | 96 | 111.1 Ų | 111.1 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -36.5 | 172.9 | -64.9 | -174.6 | 122 | 0 | 0 | 112.2 | R908 I909 S914 H915 | R908-E911 WeakPolarHBondContact CD-OE2 3.37Å; R908-E911 IonicContact CZ-OE2 2.59Å; R908-E911 IonicContact NE-OE2 3.96Å; R908-E911 IonicContact NH1-OE1 2.71Å; R908-E911 IonicContact NH1-OE2 3.61Å; R908-E911 PolarHBondContact NH1-OE2 3.33Å; I909-E911 VanDerWaalsContact C-N 3.28Å; I909-E911 PolarHBondContact O-N 2.97Å; E911-S914 WeakPolarHBondContact O-CB 3.36Å; E911-S914 PolarHBondContact O-N 3.33Å; E911-H915 PolarHBondContact O-CD2 3.21Å; E911-H915 PolarHBondContact O-N 3.1Å; E911-H915 VanDerWaalsContact O-N 3.08Å |
| 912 | L | 85.4 | Confident | 82.7 | Confident | 95 Ų | 95 | 107.6 Ų | 107.6 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.1 | -31.8 | -177.7 | -66.9 | 171.6 | 0 | 0 | 0 | 112.6 | R908 I909 L910 H915 L916 | R908-L912 WeakPolarHBondContact O-CG 3.45Å; R908-L912 PolarHBondContact O-N 3.44Å; I909-L912 WeakPolarHBondContact O-CB 3.48Å; I909-L912 PolarHBondContact O-N 3.14Å; L910-L912 VanDerWaalsContact C-N 3.32Å; L910-L912 PolarHBondContact O-N 2.99Å; L912-H915 WeakPolarHBondContact O-CB 3.38Å; L912-H915 PolarHBondContact O-N 3.42Å; L912-L916 PolarHBondContact O-N 2.95Å; L912-L916 VanDerWaalsContact O-N 3.16Å |
| 913 | E | 83 | Confident | 82.6 | Confident | 122 Ų | 122 | 106.8 Ų | 106.8 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 172.8 | -63.5 | 178.9 | 147 | 0 | 0 | 110.9 | I909 H915 L916 A917 | I909-E913 PolarHBondContact O-N 2.81Å; E913-H915 VanDerWaalsContact C-N 3.28Å; E913-H915 PolarHBondContact O-N 2.88Å; E913-L916 WeakPolarHBondContact O-CB 3.39Å; E913-L916 PolarHBondContact O-N 3.45Å; E913-A917 PolarHBondContact O-N 2.83Å |
| 914 | S | 82.6 | Confident | 82.6 | Confident | 61 Ų | 61 | 107.5 Ų | 107.5 | 43% | 0.427 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | L910 E911 L916 K918 | L910-S914 PolarHBondContact O-N 2.81Å; E911-S914 WeakPolarHBondContact O-CB 3.36Å; E911-S914 PolarHBondContact O-N 3.33Å; S914-L916 VanDerWaalsContact C-N 3.28Å; S914-L916 PolarHBondContact O-N 3.44Å; S914-K918 WeakPolarHBondContact O-CG 3.44Å |
| 915 | H | 79.4 | Confident | 82.6 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.1 | -20.4 | 173.5 | -82.1 | -73.6 | 0 | 0 | 0 | 114 | E911 L912 E913 | E911-H915 PolarHBondContact O-CD2 3.21Å; E911-H915 PolarHBondContact O-N 3.1Å; E911-H915 VanDerWaalsContact O-N 3.08Å; L912-H915 WeakPolarHBondContact O-CB 3.38Å; L912-H915 PolarHBondContact O-N 3.42Å; E913-H915 VanDerWaalsContact C-N 3.28Å; E913-H915 PolarHBondContact O-N 2.88Å |
| 916 | L | 79 | Confident | 82.5 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77 | -51 | 179 | -135.2 | 170.7 | 0 | 0 | 0 | 110.7 | L912 E913 S914 K918 K919 | L912-L916 PolarHBondContact O-N 2.95Å; L912-L916 VanDerWaalsContact O-N 3.16Å; E913-L916 WeakPolarHBondContact O-CB 3.39Å; E913-L916 PolarHBondContact O-N 3.45Å; S914-L916 VanDerWaalsContact C-N 3.28Å; S914-L916 PolarHBondContact O-N 3.44Å; L916-K918 PolarHBondContact O-N 3.27Å; L916-K918 VanDerWaalsContact O-N 3.13Å; L916-K919 WeakPolarHBondContact O-CB 3.46Å; L916-K919 PolarHBondContact O-N 3.07Å |
| 917 | A | 82.2 | Confident | 82.4 | Confident | 67 Ų | 67 | 111.2 Ų | 111.2 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57 | -31.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E913 K919 D920 | E913-A917 PolarHBondContact O-N 2.83Å; A917-K919 VanDerWaalsContact C-N 3.28Å; A917-K919 PolarHBondContact O-N 3.35Å; A917-D920 PolarHBondContact O-N 3.41Å |
| 918 | K | 82.5 | Confident | 82.5 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -25.2 | 174.1 | -72 | 170.6 | -176.1 | 168.6 | 0 | 113.5 | S914 L916 L922 | S914-K918 WeakPolarHBondContact O-CG 3.44Å; L916-K918 PolarHBondContact O-N 3.27Å; L916-K918 VanDerWaalsContact O-N 3.13Å; K918-L922 PolarHBondContact O-N 2.92Å |
| 919 | K | 82.4 | Confident | 82.3 | Confident | 139 Ų | 139 | 111.6 Ų | 111.6 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -81 | -32.8 | 178.1 | -70.2 | 179 | 178.2 | 178.9 | 0 | 112.8 | L916 A917 H921 L922 L923 | L916-K919 WeakPolarHBondContact O-CB 3.46Å; L916-K919 PolarHBondContact O-N 3.07Å; A917-K919 VanDerWaalsContact C-N 3.28Å; A917-K919 PolarHBondContact O-N 3.35Å; K919-H921 VanDerWaalsContact C-N 3.32Å; K919-H921 PolarHBondContact O-N 3.39Å; K919-L922 WeakPolarHBondContact O-CB 3.31Å; K919-L922 PolarHBondContact O-N 2.79Å; K919-L922 VanDerWaalsContact O-N 3.17Å; K919-L923 PolarHBondContact O-N 3.16Å |
| 920 | D | 82.2 | Confident | 82.4 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -35 | 177.2 | -61 | -36.3 | 0 | 0 | 0 | 111.4 | A917 L923 L924 | A917-D920 PolarHBondContact O-N 3.41Å; D920-L923 PolarHBondContact O-N 3.42Å; D920-L924 PolarHBondContact O-N 2.95Å |
| 921 | H | 84 | Confident | 82.4 | Confident | 137 Ų | 137 | 112.1 Ų | 112.1 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 169.1 | -171.6 | 67.7 | 0 | 0 | 0 | 112.1 | K919 L923 L924 E925 | K919-H921 VanDerWaalsContact C-N 3.32Å; K919-H921 PolarHBondContact O-N 3.39Å; H921-L923 VanDerWaalsContact C-N 3.31Å; H921-L923 PolarHBondContact O-N 3.36Å; H921-L924 WeakPolarHBondContact O-CB 3.38Å; H921-L924 PolarHBondContact O-N 2.79Å; H921-E925 PolarHBondContact O-N 2.9Å; H921-E925 VanDerWaalsContact O-N 3.12Å |
| 922 | L | 79.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 111.4 Ų | 111.4 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 177.6 | -157.5 | 83.9 | 0 | 0 | 0 | 112.6 | K918 K919 E925 Q926 | K918-L922 PolarHBondContact O-N 2.92Å; K919-L922 WeakPolarHBondContact O-CB 3.31Å; K919-L922 PolarHBondContact O-N 2.79Å; K919-L922 VanDerWaalsContact O-N 3.17Å; L922-E925 PolarHBondContact O-N 3.41Å; L922-Q926 WeakPolarHBondContact O-CG 3.22Å; L922-Q926 PolarHBondContact O-N 3.07Å |
| 923 | L | 82.3 | Confident | 82.4 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 175 | -83.6 | 167.8 | 0 | 0 | 0 | 112.6 | K919 D920 H921 K927 | K919-L923 PolarHBondContact O-N 3.16Å; D920-L923 PolarHBondContact O-N 3.42Å; H921-L923 VanDerWaalsContact C-N 3.31Å; H921-L923 PolarHBondContact O-N 3.36Å; L923-K927 PolarHBondContact O-N 3.02Å |
| 924 | L | 83.5 | Confident | 82.4 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 172 | -89.5 | 162.7 | 0 | 0 | 0 | 111.8 | D920 H921 K927 K928 | D920-L924 PolarHBondContact O-N 2.95Å; H921-L924 WeakPolarHBondContact O-CB 3.38Å; H921-L924 PolarHBondContact O-N 2.79Å; L924-K927 PolarHBondContact O-N 2.92Å; L924-K928 PolarHBondContact O-N 3.02Å |
| 925 | E | 82.6 | Confident | 82.5 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 175.6 | -172.2 | 174 | -147.4 | 0 | 0 | 112 | H921 L922 K927 K928 Y929 | H921-E925 PolarHBondContact O-N 2.9Å; H921-E925 VanDerWaalsContact O-N 3.12Å; L922-E925 PolarHBondContact O-N 3.41Å; E925-K927 VanDerWaalsContact C-N 3.28Å; E925-K927 PolarHBondContact O-N 3.11Å; E925-K928 PolarHBondContact O-N 3.44Å; E925-Y929 PolarHBondContact O-N 3.33Å |
| 926 | Q | 80.4 | Confident | 82.4 | Confident | 106 Ų | 106 | 113.8 Ų | 113.8 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.1 | -35.7 | 174 | -75.8 | -178.4 | -1.4 | 0 | 0 | 112.9 | L922 Y929 L930 | L922-Q926 WeakPolarHBondContact O-CG 3.22Å; L922-Q926 PolarHBondContact O-N 3.07Å; Q926-Y929 PolarHBondContact O-N 2.94Å; Q926-L930 PolarHBondContact O-N 2.78Å; Q926-L930 VanDerWaalsContact O-N 3.1Å |
| 927 | K | 81.9 | Confident | 82.5 | Confident | 150 Ų | 150 | 111.1 Ų | 111.1 | 65% | 0.652 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 176 | -169.3 | -178.5 | 179.3 | -174.3 | 0 | 111.7 | L923 L924 E925 L930 E931 | L923-K927 PolarHBondContact O-N 3.02Å; L924-K927 PolarHBondContact O-N 2.92Å; E925-K927 VanDerWaalsContact C-N 3.28Å; E925-K927 PolarHBondContact O-N 3.11Å; K927-L930 PolarHBondContact O-N 3.47Å; K927-E931 PolarHBondContact O-N 3.48Å |
| 928 | K | 86.4 | Confident | 82.7 | Confident | 138 Ų | 138 | 117.4 Ų | 117.4 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -45.7 | 173.5 | -174.6 | -170.2 | 170.1 | -169.2 | 0 | 111.3 | L924 E925 L930 E931 D932 | L924-K928 PolarHBondContact O-N 3.02Å; E925-K928 PolarHBondContact O-N 3.44Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.81Å; K928-E931 WeakPolarHBondContact O-CA 3.33Å; K928-E931 WeakPolarHBondContact O-CB 3.49Å; K928-E931 PolarHBondContact O-N 2.89Å; K928-D932 PolarHBondContact O-N 3.33Å |
| 929 | Y | 79.1 | Confident | 82.8 | Confident | 158 Ų | 158 | 113.1 Ų | 113.1 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.8 | -39.4 | 178.3 | 176.1 | -100.4 | 0 | 0 | 0 | 113 | E925 Q926 E931 D932 V933 | E925-Y929 PolarHBondContact O-N 3.33Å; Q926-Y929 PolarHBondContact O-N 2.94Å; Y929-E931 VanDerWaalsContact C-N 3.26Å; Y929-E931 PolarHBondContact O-N 2.89Å; Y929-D932 PolarHBondContact O-N 3.33Å; Y929-V933 HydrophobicContact CD1-CG2 4.15Å; Y929-V933 HydrophobicContact CD2-CG2 4.43Å; Y929-V933 HydrophobicContact CE1-CG2 3.69Å; Y929-V933 HydrophobicContact CE2-CG2 3.99Å; Y929-V933 HydrophobicContact CG-CG2 4.5Å; Y929-V933 WeakPolarHBondContact O-CB 3.13Å; Y929-V933 VanDerWaalsContact O-CG2 3.29Å; Y929-V933 WeakPolarHBondContact O-CG2 3.29Å; Y929-V933 PolarHBondContact O-N 2.96Å |
| 930 | L | 83.5 | Confident | 82.7 | Confident | 119 Ų | 119 | 112.4 Ų | 112.4 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.8 | -30.6 | 173.9 | -79.2 | 165.4 | 0 | 0 | 0 | 113.4 | Q926 K927 K928 K934 | Q926-L930 PolarHBondContact O-N 2.78Å; Q926-L930 VanDerWaalsContact O-N 3.1Å; K927-L930 PolarHBondContact O-N 3.47Å; K928-L930 VanDerWaalsContact C-N 3.29Å; K928-L930 PolarHBondContact O-N 2.81Å; L930-K934 WeakPolarHBondContact O-CB 3.39Å; L930-K934 PolarHBondContact O-N 3.35Å |
| 931 | E | 85.4 | Confident | 82.7 | Confident | 113 Ų | 113 | 113.2 Ų | 113.2 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79 | -37.4 | 178.5 | -161.9 | 149 | -131.5 | 0 | 0 | 111.8 | K927 K928 Y929 K934 L935 | K927-E931 PolarHBondContact O-N 3.48Å; K928-E931 WeakPolarHBondContact O-CA 3.33Å; K928-E931 WeakPolarHBondContact O-CB 3.49Å; K928-E931 PolarHBondContact O-N 2.89Å; Y929-E931 VanDerWaalsContact C-N 3.26Å; Y929-E931 PolarHBondContact O-N 2.89Å; E931-K934 WeakPolarHBondContact O-CB 3.35Å; E931-K934 PolarHBondContact O-N 3.36Å; E931-L935 PolarHBondContact O-N 2.99Å; E931-L935 VanDerWaalsContact O-N 3.1Å |
| 932 | D | 85.2 | Confident | 82.7 | Confident | 82 Ų | 82 | 113 Ų | 113 | 44% | 0.439 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 169.2 | -68 | -37.2 | 0 | 0 | 0 | 111.3 | K928 Y929 L935 Q936 | K928-D932 PolarHBondContact O-N 3.33Å; Y929-D932 PolarHBondContact O-N 3.33Å; D932-L935 WeakPolarHBondContact O-CB 3.5Å; D932-L935 PolarHBondContact O-N 3.08Å; D932-Q936 PolarHBondContact O-N 2.87Å |
| 933 | V | 82.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 110.8 Ų | 110.8 | 30% | 0.303 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.8 | 166.7 | 0 | 0 | 0 | 0 | 112.1 | Y929 L935 Q936 A937 | Y929-V933 HydrophobicContact CD1-CG2 4.15Å; Y929-V933 HydrophobicContact CD2-CG2 4.43Å; Y929-V933 HydrophobicContact CE1-CG2 3.69Å; Y929-V933 HydrophobicContact CE2-CG2 3.99Å; Y929-V933 HydrophobicContact CG-CG2 4.5Å; Y929-V933 WeakPolarHBondContact O-CB 3.13Å; Y929-V933 VanDerWaalsContact O-CG2 3.29Å; Y929-V933 WeakPolarHBondContact O-CG2 3.29Å; Y929-V933 PolarHBondContact O-N 2.96Å; V933-L935 VanDerWaalsContact C-N 3.33Å; V933-L935 PolarHBondContact O-N 2.94Å; V933-Q936 PolarHBondContact O-N 2.93Å; V933-A937 WeakPolarHBondContact O-CB 3.45Å; V933-A937 PolarHBondContact O-N 3.28Å |
| 934 | K | 84.8 | Confident | 82.8 | Confident | 135 Ų | 135 | 108.3 Ų | 108.3 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 172.1 | 165.8 | -165.3 | 166.6 | -163.7 | 0 | 111.6 | L930 E931 R938 | L930-K934 WeakPolarHBondContact O-CB 3.39Å; L930-K934 PolarHBondContact O-N 3.35Å; E931-K934 WeakPolarHBondContact O-CB 3.35Å; E931-K934 PolarHBondContact O-N 3.36Å; K934-R938 PolarHBondContact O-N 3.48Å |
| 935 | L | 82.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -44.8 | 173.3 | -96.6 | 159.9 | 0 | 0 | 0 | 111.6 | E931 D932 V933 A937 R938 G939 | E931-L935 PolarHBondContact O-N 2.99Å; E931-L935 VanDerWaalsContact O-N 3.1Å; D932-L935 WeakPolarHBondContact O-CB 3.5Å; D932-L935 PolarHBondContact O-N 3.08Å; V933-L935 VanDerWaalsContact C-N 3.33Å; V933-L935 PolarHBondContact O-N 2.94Å; L935-A937 VanDerWaalsContact C-N 3.34Å; L935-A937 PolarHBondContact O-N 2.85Å; L935-R938 WeakPolarHBondContact O-CB 3.31Å; L935-R938 PolarHBondContact O-N 3.36Å; L935-G939 PolarHBondContact O-N 3Å; L935-G939 VanDerWaalsContact O-N 3.1Å |
| 936 | Q | 78.4 | Confident | 83.1 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.1 | -167.9 | -179.4 | 21.8 | 0 | 0 | 112.2 | D932 V933 R938 G939 Q940 | D932-Q936 PolarHBondContact O-N 2.87Å; V933-Q936 PolarHBondContact O-N 2.93Å; Q936-R938 PolarHBondContact O-N 3.42Å; Q936-G939 CarbonylContact O-C 3.57Å; Q936-G939 WeakPolarHBondContact O-CA 3.41Å; Q936-G939 PolarHBondContact O-N 3.27Å; Q936-G939 VanDerWaalsContact O-N 3.15Å; Q936-Q940 WeakPolarHBondContact O-CG 3.49Å; Q936-Q940 PolarHBondContact O-N 3.31Å |
| 937 | A | 81.8 | Confident | 83.2 | Confident | 51 Ų | 51 | 109.4 Ų | 109.4 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V933 L935 Q940 L941 | V933-A937 WeakPolarHBondContact O-CB 3.45Å; V933-A937 PolarHBondContact O-N 3.28Å; L935-A937 VanDerWaalsContact C-N 3.34Å; L935-A937 PolarHBondContact O-N 2.85Å; A937-Q940 PolarHBondContact O-N 2.95Å; A937-L941 PolarHBondContact O-N 3.15Å |
| 938 | R | 85.7 | Confident | 83.4 | Confident | 199 Ų | 199 | 109.6 Ų | 109.6 | 75% | 0.751 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 169.5 | -98.1 | -171.7 | 168.6 | -148.6 | -4.4 | 112.1 | K934 L935 Q936 Q940 L941 Q942 | K934-R938 PolarHBondContact O-N 3.48Å; L935-R938 WeakPolarHBondContact O-CB 3.31Å; L935-R938 PolarHBondContact O-N 3.36Å; Q936-R938 PolarHBondContact O-N 3.42Å; R938-Q940 VanDerWaalsContact C-N 3.32Å; R938-Q940 PolarHBondContact O-N 3.38Å; R938-L941 WeakPolarHBondContact O-CB 3.35Å; R938-L941 PolarHBondContact O-N 3Å; R938-Q942 PolarHBondContact O-N 3.43Å; R938-Q942 VanDerWaalsContact O-N 3.11Å |
| 939 | G | 84.6 | Confident | 83.5 | Confident | 38 Ų | 38 | 106.6 Ų | 106.6 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L935 Q936 A943 | L935-G939 PolarHBondContact O-N 3Å; L935-G939 VanDerWaalsContact O-N 3.1Å; Q936-G939 CarbonylContact O-C 3.57Å; Q936-G939 WeakPolarHBondContact O-CA 3.41Å; Q936-G939 PolarHBondContact O-N 3.27Å; Q936-G939 VanDerWaalsContact O-N 3.15Å; G939-A943 VanDerWaalsContact O-CB 3.31Å; G939-A943 WeakPolarHBondContact O-CB 3.37Å; G939-A943 PolarHBondContact O-N 2.69Å |
| 940 | Q | 79.6 | Confident | 83.7 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.3 | -35.2 | 174.5 | -73.3 | -178.7 | 8.4 | 0 | 0 | 112.8 | Q936 A937 R938 A943 A944 | Q936-Q940 WeakPolarHBondContact O-CG 3.49Å; Q936-Q940 PolarHBondContact O-N 3.31Å; A937-Q940 PolarHBondContact O-N 2.95Å; R938-Q940 VanDerWaalsContact C-N 3.32Å; R938-Q940 PolarHBondContact O-N 3.38Å; Q940-A943 PolarHBondContact O-N 3.16Å; Q940-A944 WeakPolarHBondContact O-CB 3.26Å; Q940-A944 PolarHBondContact O-N 2.89Å |
| 941 | L | 82.2 | Confident | 83.8 | Confident | 106 Ų | 106 | 101.7 Ų | 101.7 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -50.5 | 172.6 | -170.8 | 74 | 0 | 0 | 0 | 110.7 | A937 R938 A943 A944 E945 | A937-L941 PolarHBondContact O-N 3.15Å; R938-L941 WeakPolarHBondContact O-CB 3.35Å; R938-L941 PolarHBondContact O-N 3Å; L941-A943 VanDerWaalsContact C-N 3.26Å; L941-A943 PolarHBondContact O-N 3.03Å; L941-A944 WeakPolarHBondContact O-CA 3.4Å; L941-A944 WeakPolarHBondContact O-CB 3.33Å; L941-A944 PolarHBondContact O-N 3.43Å; L941-E945 WeakPolarHBondContact O-CG 3.35Å; L941-E945 PolarHBondContact O-N 3.32Å |
| 942 | Q | 85.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -33 | 176.9 | -166.8 | 177.8 | 10.2 | 0 | 0 | 112.5 | R938 S946 | R938-Q942 PolarHBondContact O-N 3.43Å; R938-Q942 VanDerWaalsContact O-N 3.11Å; Q942-S946 WeakPolarHBondContact O-CB 3.22Å; Q942-S946 PolarHBondContact O-N 3.25Å; Q942-S946 PolarHBondContact O-OG 3.25Å |
| 943 | A | 81.9 | Confident | 83.8 | Confident | 42 Ų | 42 | 104.8 Ų | 104.8 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.6 | -28.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G939 Q940 L941 R947 | G939-A943 VanDerWaalsContact O-CB 3.31Å; G939-A943 WeakPolarHBondContact O-CB 3.37Å; G939-A943 PolarHBondContact O-N 2.69Å; Q940-A943 PolarHBondContact O-N 3.16Å; L941-A943 VanDerWaalsContact C-N 3.26Å; L941-A943 PolarHBondContact O-N 3.03Å; A943-R947 WeakPolarHBondContact O-CB 3.38Å; A943-R947 WeakPolarHBondContact O-CG 3.18Å; A943-R947 PolarHBondContact O-N 2.99Å |
| 944 | A | 80.9 | Confident | 83.9 | Confident | 53 Ų | 53 | 106.8 Ų | 106.8 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q940 L941 S946 R947 Y948 | Q940-A944 WeakPolarHBondContact O-CB 3.26Å; Q940-A944 PolarHBondContact O-N 2.89Å; L941-A944 WeakPolarHBondContact O-CA 3.4Å; L941-A944 WeakPolarHBondContact O-CB 3.33Å; L941-A944 PolarHBondContact O-N 3.43Å; A944-S946 VanDerWaalsContact C-N 3.34Å; A944-S946 PolarHBondContact O-N 2.71Å; A944-R947 WeakPolarHBondContact O-CB 3.47Å; A944-R947 PolarHBondContact O-N 3.33Å; A944-R947 VanDerWaalsContact O-N 3.17Å; A944-Y948 PolarHBondContact O-N 3.38Å |
| 945 | E | 86 | Confident | 83.7 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 170.1 | -66.7 | 166.3 | 166.6 | 0 | 0 | 111 | L941 R947 Y948 E949 | L941-E945 WeakPolarHBondContact O-CG 3.35Å; L941-E945 PolarHBondContact O-N 3.32Å; E945-R947 VanDerWaalsContact C-N 3.3Å; E945-R947 PolarHBondContact O-N 3.23Å; E945-Y948 WeakPolarHBondContact O-CB 3.4Å; E945-Y948 PolarHBondContact O-N 3.06Å; E945-E949 PolarHBondContact O-N 2.89Å |
| 946 | S | 86 | Confident | 83.7 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | Q942 A944 A950 | Q942-S946 WeakPolarHBondContact O-CB 3.22Å; Q942-S946 PolarHBondContact O-N 3.25Å; Q942-S946 PolarHBondContact O-OG 3.25Å; A944-S946 VanDerWaalsContact C-N 3.34Å; A944-S946 PolarHBondContact O-N 2.71Å; S946-A950 WeakPolarHBondContact O-CB 3.42Å; S946-A950 PolarHBondContact O-N 3.09Å |
| 947 | R | 84.1 | Confident | 84 | Confident | 189 Ų | 189 | 101.2 Ų | 101.2 | 71% | 0.713 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.9 | -35.5 | 173.6 | -78.9 | 169.6 | -178.1 | -174.8 | 1.2 | 112.4 | A943 A944 E945 A950 Q951 | A943-R947 WeakPolarHBondContact O-CB 3.38Å; A943-R947 WeakPolarHBondContact O-CG 3.18Å; A943-R947 PolarHBondContact O-N 2.99Å; A944-R947 WeakPolarHBondContact O-CB 3.47Å; A944-R947 PolarHBondContact O-N 3.33Å; A944-R947 VanDerWaalsContact O-N 3.17Å; E945-R947 VanDerWaalsContact C-N 3.3Å; E945-R947 PolarHBondContact O-N 3.23Å; R947-A950 PolarHBondContact O-N 2.87Å; R947-Q951 VanDerWaalsContact O-CB 3.31Å; R947-Q951 WeakPolarHBondContact O-CB 3.13Å; R947-Q951 PolarHBondContact O-N 3.17Å |
| 948 | Y | 85.9 | Confident | 84.1 | Confident | 155 Ų | 155 | 104.2 Ų | 104.2 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -47.8 | 175 | 174.3 | -101.4 | 0 | 0 | 0 | 111 | A944 E945 A950 Q951 K952 | A944-Y948 PolarHBondContact O-N 3.38Å; E945-Y948 WeakPolarHBondContact O-CB 3.4Å; E945-Y948 PolarHBondContact O-N 3.06Å; Y948-A950 VanDerWaalsContact C-N 3.29Å; Y948-A950 PolarHBondContact O-N 2.68Å; Y948-Q951 PolarHBondContact O-N 2.7Å; Y948-K952 WeakPolarHBondContact O-CB 3.37Å; Y948-K952 PolarHBondContact O-N 2.8Å |
| 949 | E | 87.2 | Confident | 83.9 | Confident | 75 Ų | 75 | 99.9 Ų | 99.9 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -28.7 | 173.6 | -75.6 | -64.7 | 136.8 | 0 | 0 | 113 | E945 K952 R953 | E945-E949 PolarHBondContact O-N 2.89Å; E949-K952 WeakPolarHBondContact OE1-CD 3.47Å; E949-K952 IonicContact OE1-NZ 3.17Å; E949-K952 PolarHBondContact OE1-NZ 3.47Å; E949-K952 IonicContact OE2-NZ 2.85Å; E949-K952 PolarHBondContact OE2-NZ 2.91Å; E949-R953 WeakPolarHBondContact O-CG 3.36Å; E949-R953 PolarHBondContact O-N 3.42Å |
| 950 | A | 84.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -41.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S946 R947 Y948 R953 I954 | S946-A950 WeakPolarHBondContact O-CB 3.42Å; S946-A950 PolarHBondContact O-N 3.09Å; R947-A950 PolarHBondContact O-N 2.87Å; Y948-A950 VanDerWaalsContact C-N 3.29Å; Y948-A950 PolarHBondContact O-N 2.68Å; A950-R953 PolarHBondContact O-N 2.86Å; A950-I954 WeakPolarHBondContact O-CG1 3.38Å; A950-I954 PolarHBondContact O-N 3.42Å |
| 951 | Q | 84.1 | Confident | 83.6 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 176.9 | -178.8 | 175.8 | -8.9 | 0 | 0 | 111 | R947 Y948 R953 I954 T955 | R947-Q951 VanDerWaalsContact O-CB 3.31Å; R947-Q951 WeakPolarHBondContact O-CB 3.13Å; R947-Q951 PolarHBondContact O-N 3.17Å; Y948-Q951 PolarHBondContact O-N 2.7Å; Q951-R953 VanDerWaalsContact C-N 3.29Å; Q951-R953 PolarHBondContact O-N 3.19Å; Q951-I954 CarbonylContact O-C 3.59Å; Q951-I954 WeakPolarHBondContact O-CA 3.47Å; Q951-I954 WeakPolarHBondContact O-CB 3.05Å; Q951-I954 PolarHBondContact O-N 3.27Å; Q951-T955 PolarHBondContact O-N 2.96Å; Q951-T955 PolarHBondContact O-OG1 2.91Å |
| 952 | K | 85.3 | Confident | 83.4 | Confident | 93 Ų | 93 | 101 Ų | 101 | 40% | 0.404 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.9 | -39.9 | 172.3 | 179.1 | -179.3 | 168.2 | -157.2 | 0 | 112.6 | Y948 E949 Q956 | Y948-K952 WeakPolarHBondContact O-CB 3.37Å; Y948-K952 PolarHBondContact O-N 2.8Å; E949-K952 WeakPolarHBondContact OE1-CD 3.47Å; E949-K952 IonicContact OE1-NZ 3.17Å; E949-K952 PolarHBondContact OE1-NZ 3.47Å; E949-K952 IonicContact OE2-NZ 2.85Å; E949-K952 PolarHBondContact OE2-NZ 2.91Å; K952-Q956 WeakPolarHBondContact O-CG 3.16Å; K952-Q956 PolarHBondContact O-N 3.13Å |
| 953 | R | 86.4 | Confident | 83 | Confident | 168 Ų | 168 | 100.2 Ų | 100.2 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.2 | -31.7 | 171.1 | -66.1 | 178.5 | -156.9 | -166.9 | 4.4 | 113.2 | E949 A950 Q951 Q956 V957 | E949-R953 WeakPolarHBondContact O-CG 3.36Å; E949-R953 PolarHBondContact O-N 3.42Å; A950-R953 PolarHBondContact O-N 2.86Å; Q951-R953 VanDerWaalsContact C-N 3.29Å; Q951-R953 PolarHBondContact O-N 3.19Å; R953-Q956 PolarHBondContact O-N 3.25Å; R953-V957 WeakPolarHBondContact O-CG2 3.4Å; R953-V957 PolarHBondContact O-N 2.94Å |
| 954 | I | 83.5 | Confident | 82.6 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 174.6 | -70 | 165.1 | 0 | 0 | 0 | 110.3 | A950 Q951 Q956 V957 F958 | A950-I954 WeakPolarHBondContact O-CG1 3.38Å; A950-I954 PolarHBondContact O-N 3.42Å; Q951-I954 CarbonylContact O-C 3.59Å; Q951-I954 WeakPolarHBondContact O-CA 3.47Å; Q951-I954 WeakPolarHBondContact O-CB 3.05Å; Q951-I954 PolarHBondContact O-N 3.27Å; I954-Q956 VanDerWaalsContact C-N 3.33Å; I954-Q956 PolarHBondContact O-N 3.3Å; I954-V957 CarbonylContact O-C 3.57Å; I954-V957 WeakPolarHBondContact O-CA 3.45Å; I954-V957 PolarHBondContact O-N 3.33Å; I954-F958 HydrophobicContact CG2-CD2 3.85Å; I954-F958 HydrophobicContact CG2-CE2 3.46Å; I954-F958 VanDerWaalsContact CG2-CE2 3.46Å; I954-F958 HydrophobicContact CG2-CZ 3.98Å; I954-F958 PolarHBondContact O-N 3.1Å |
| 955 | T | 81.5 | Confident | 82.3 | Confident | 66 Ų | 66 | 103.6 Ų | 103.6 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 171.3 | -45.8 | 0 | 0 | 0 | 0 | 110.9 | Q951 V957 F958 E959 | Q951-T955 PolarHBondContact O-N 2.96Å; Q951-T955 PolarHBondContact O-OG1 2.91Å; T955-V957 PolarHBondContact O-N 3.43Å; T955-F958 CarbonylContact O-C 3.6Å; T955-F958 PolarHBondContact O-N 2.87Å; T955-E959 WeakPolarHBondContact CG2-OE1 3.4Å; T955-E959 WeakPolarHBondContact O-CG 3.28Å; T955-E959 PolarHBondContact O-N 2.86Å |
| 956 | Q | 82 | Confident | 81.6 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -25.7 | 174.1 | -68.4 | 172.3 | -29.6 | 0 | 0 | 114.1 | K952 R953 I954 L960 | K952-Q956 WeakPolarHBondContact O-CG 3.16Å; K952-Q956 PolarHBondContact O-N 3.13Å; R953-Q956 PolarHBondContact O-N 3.25Å; I954-Q956 VanDerWaalsContact C-N 3.33Å; I954-Q956 PolarHBondContact O-N 3.3Å; Q956-L960 WeakPolarHBondContact O-CG 3.43Å; Q956-L960 PolarHBondContact O-N 2.94Å |
| 957 | V | 84.5 | Confident | 80.8 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -81.3 | -36.1 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | R953 I954 T955 L960 E961 | R953-V957 WeakPolarHBondContact O-CG2 3.4Å; R953-V957 PolarHBondContact O-N 2.94Å; I954-V957 CarbonylContact O-C 3.57Å; I954-V957 WeakPolarHBondContact O-CA 3.45Å; I954-V957 PolarHBondContact O-N 3.33Å; T955-V957 PolarHBondContact O-N 3.43Å; V957-L960 CarbonylContact O-C 3.52Å; V957-L960 WeakPolarHBondContact O-CB 3.36Å; V957-L960 PolarHBondContact O-N 3.43Å; V957-L960 VanDerWaalsContact O-N 3.16Å; V957-E961 WeakPolarHBondContact O-CB 3.37Å; V957-E961 PolarHBondContact O-N 2.78Å |
| 958 | F | 84.7 | Confident | 80 | Confident | 115 Ų | 115 | 97 Ų | 97 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 171.7 | -71.2 | -43.1 | 0 | 0 | 0 | 112.2 | I954 T955 L960 E961 I962 | I954-F958 HydrophobicContact CG2-CD2 3.85Å; I954-F958 HydrophobicContact CG2-CE2 3.46Å; I954-F958 VanDerWaalsContact CG2-CE2 3.46Å; I954-F958 HydrophobicContact CG2-CZ 3.98Å; I954-F958 PolarHBondContact O-N 3.1Å; T955-F958 CarbonylContact O-C 3.6Å; T955-F958 PolarHBondContact O-N 2.87Å; F958-L960 PolarHBondContact O-N 2.83Å; F958-E961 PolarHBondContact O-N 3.11Å; F958-I962 WeakPolarHBondContact O-CB 3.27Å; F958-I962 WeakPolarHBondContact O-CD1 3.4Å; F958-I962 WeakPolarHBondContact O-CG1 3.47Å; F958-I962 PolarHBondContact O-N 2.89Å |
| 959 | E | 80.8 | Confident | 78.9 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.7 | -38.3 | 169.7 | -71.5 | 157.9 | -153.5 | 0 | 0 | 111.3 | T955 L963 | T955-E959 WeakPolarHBondContact CG2-OE1 3.4Å; T955-E959 WeakPolarHBondContact O-CG 3.28Å; T955-E959 PolarHBondContact O-N 2.86Å; E959-L963 WeakPolarHBondContact O-CG 3.3Å; E959-L963 PolarHBondContact O-N 3Å |
| 960 | L | 80.3 | Confident | 77.5 | Confident | 117 Ų | 117 | 98.4 Ų | 98.4 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -79.5 | -32.3 | 175.1 | -67.1 | 169.6 | 0 | 0 | 0 | 113.8 | Q956 V957 F958 L963 D964 | Q956-L960 WeakPolarHBondContact O-CG 3.43Å; Q956-L960 PolarHBondContact O-N 2.94Å; V957-L960 CarbonylContact O-C 3.52Å; V957-L960 WeakPolarHBondContact O-CB 3.36Å; V957-L960 PolarHBondContact O-N 3.43Å; V957-L960 VanDerWaalsContact O-N 3.16Å; F958-L960 PolarHBondContact O-N 2.83Å; L960-L963 HydrophobicContact CD2-CD1 4.4Å; L960-L963 WeakPolarHBondContact O-CB 3.36Å; L960-L963 PolarHBondContact O-N 2.7Å; L960-D964 PolarHBondContact O-N 2.83Å; L960-D964 VanDerWaalsContact O-N 3.09Å |
| 961 | E | 77.7 | Confident | 76.2 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.5 | -32.5 | 177.7 | -171.6 | 166.6 | -145 | 0 | 0 | 111.7 | V957 F958 L963 D964 L965 | V957-E961 WeakPolarHBondContact O-CB 3.37Å; V957-E961 PolarHBondContact O-N 2.78Å; F958-E961 PolarHBondContact O-N 3.11Å; E961-L963 VanDerWaalsContact C-N 3.28Å; E961-L963 PolarHBondContact O-N 2.67Å; E961-D964 PolarHBondContact O-N 3.15Å; E961-L965 WeakPolarHBondContact O-CB 3.43Å; E961-L965 VanDerWaalsContact O-CG 3.32Å; E961-L965 WeakPolarHBondContact O-CG 3.44Å; E961-L965 PolarHBondContact O-N 2.9Å |
| 962 | I | 77.7 | Confident | 74.9 | Confident | 78 Ų | 78 | 101 Ų | 101 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 166.6 | -73.3 | 164.2 | 0 | 0 | 0 | 110 | F958 L965 Y966 | F958-I962 WeakPolarHBondContact O-CB 3.27Å; F958-I962 WeakPolarHBondContact O-CD1 3.4Å; F958-I962 WeakPolarHBondContact O-CG1 3.47Å; F958-I962 PolarHBondContact O-N 2.89Å; I962-L965 PolarHBondContact O-N 2.83Å; I962-Y966 HydrophobicContact CG2-CD2 3.92Å; I962-Y966 HydrophobicContact CG2-CE2 3.55Å; I962-Y966 WeakPolarHBondContact O-CD2 3.48Å; I962-Y966 PolarHBondContact O-N 3.13Å |
| 963 | L | 77.3 | Confident | 73.4 | Confident | 115 Ų | 115 | 98.9 Ų | 98.9 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 176 | -70.1 | 166.6 | 0 | 0 | 0 | 113 | E959 L960 E961 G967 | E959-L963 WeakPolarHBondContact O-CG 3.3Å; E959-L963 PolarHBondContact O-N 3Å; L960-L963 HydrophobicContact CD2-CD1 4.4Å; L960-L963 WeakPolarHBondContact O-CB 3.36Å; L960-L963 PolarHBondContact O-N 2.7Å; E961-L963 VanDerWaalsContact C-N 3.28Å; E961-L963 PolarHBondContact O-N 2.67Å; L963-G967 PolarHBondContact O-N 2.8Å |
| 964 | D | 74.7 | Confident | 71.8 | Confident | 73 Ų | 73 | 97.2 Ų | 97.2 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.2 | -32.3 | 172.1 | -171.9 | 63.4 | 0 | 0 | 0 | 112.6 | L960 E961 G967 R968 | L960-D964 PolarHBondContact O-N 2.83Å; L960-D964 VanDerWaalsContact O-N 3.09Å; E961-D964 PolarHBondContact O-N 3.15Å; D964-G967 CarbonylContact O-C 3.6Å; D964-G967 VanDerWaalsContact O-C 3.25Å; D964-G967 VanDerWaalsContact O-CA 3.3Å; D964-G967 WeakPolarHBondContact O-CA 3.14Å; D964-G967 PolarHBondContact O-N 3.05Å; D964-G967 VanDerWaalsContact O-N 3.08Å; D964-R968 WeakPolarHBondContact O-CG 3.4Å; D964-R968 PolarHBondContact O-N 2.98Å; D964-R968 IonicContact OD2-CZ 3.98Å; D964-R968 IonicContact OD2-NE 3.02Å; D964-R968 PolarHBondContact OD2-NE 2.93Å; D964-R968 IonicContact OD2-NH2 3.92Å; D964-R968 PolarHBondContact OD2-NH2 3.25Å |
| 965 | L | 73.9 | Confident | 70.1 | Confident | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 173.6 | -76.8 | 169.9 | 0 | 0 | 0 | 112.2 | E961 I962 G967 R968 L969 | E961-L965 WeakPolarHBondContact O-CB 3.43Å; E961-L965 VanDerWaalsContact O-CG 3.32Å; E961-L965 WeakPolarHBondContact O-CG 3.44Å; E961-L965 PolarHBondContact O-N 2.9Å; I962-L965 PolarHBondContact O-N 2.83Å; L965-G967 PolarHBondContact O-N 3.11Å; L965-R968 CarbonylContact O-C 3.58Å; L965-R968 WeakPolarHBondContact O-CA 3.29Å; L965-R968 PolarHBondContact O-N 3.49Å; L965-L969 PolarHBondContact O-N 2.9Å |
| 966 | Y | 71.2 | Confident | 68.7 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 34% | 0.337 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 167.4 | -77.4 | -63.2 | 0 | 0 | 0 | 111.1 | I962 R968 L993 | I962-Y966 HydrophobicContact CG2-CD2 3.92Å; I962-Y966 HydrophobicContact CG2-CE2 3.55Å; I962-Y966 WeakPolarHBondContact O-CD2 3.48Å; I962-Y966 PolarHBondContact O-N 3.13Å; Y966-R968 PolarHBondContact O-N 3.33Å; Y966-L993 HydrophobicContact CE2-CD2 4.48Å |
| 967 | G | 70.1 | Confident | 67.3 | Low | 21 Ų | 21 | 107.6 Ų | 107.6 | 22% | 0.216 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -72.8 | -0.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L963 D964 L965 K971 | L963-G967 PolarHBondContact O-N 2.8Å; D964-G967 CarbonylContact O-C 3.6Å; D964-G967 VanDerWaalsContact O-C 3.25Å; D964-G967 VanDerWaalsContact O-CA 3.3Å; D964-G967 WeakPolarHBondContact O-CA 3.14Å; D964-G967 PolarHBondContact O-N 3.05Å; D964-G967 VanDerWaalsContact O-N 3.08Å; L965-G967 PolarHBondContact O-N 3.11Å; G967-K971 PolarHBondContact O-NZ 2.85Å |
| 968 | R | 66.8 | Low | 65.6 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -113.8 | -22.2 | 173.1 | -68.6 | -178.8 | -162.2 | -163.9 | 12.6 | 113.1 | D964 L965 Y966 E970 K971 D972 | D964-R968 WeakPolarHBondContact O-CG 3.4Å; D964-R968 PolarHBondContact O-N 2.98Å; D964-R968 IonicContact OD2-CZ 3.98Å; D964-R968 IonicContact OD2-NE 3.02Å; D964-R968 PolarHBondContact OD2-NE 2.93Å; D964-R968 IonicContact OD2-NH2 3.92Å; D964-R968 PolarHBondContact OD2-NH2 3.25Å; L965-R968 CarbonylContact O-C 3.58Å; L965-R968 WeakPolarHBondContact O-CA 3.29Å; L965-R968 PolarHBondContact O-N 3.49Å; Y966-R968 PolarHBondContact O-N 3.33Å; R968-E970 PolarHBondContact O-N 3.48Å; R968-K971 WeakPolarHBondContact O-CA 3.37Å; R968-K971 WeakPolarHBondContact O-CB 3.47Å; R968-K971 PolarHBondContact O-N 3.34Å; R968-D972 PolarHBondContact O-N 3.36Å; R968-D972 VanDerWaalsContact O-N 3.16Å |
| 969 | L | 61.8 | Low | 63.6 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -54.2 | -36.8 | 164.7 | -118.1 | 69.1 | 0 | 0 | 0 | 111.2 | L965 K971 | L965-L969 PolarHBondContact O-N 2.9Å; L969-K971 PolarHBondContact O-N 3.36Å |
| 970 | E | 58.4 | Low | 61.6 | Low | 165 Ų | 165 | 114.8 Ų | 114.8 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57 | -24.2 | 169.8 | -74.2 | -168.1 | 124.9 | 0 | 0 | 114.4 | R968 | R968-E970 PolarHBondContact O-N 3.48Å |
| 971 | K | 57.2 | Low | 60.1 | Low | 136 Ų | 136 | 117 Ų | 117 | 59% | 0.591 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -99.5 | -32.6 | -173 | -59.6 | -177.4 | 179.5 | 91.9 | 0 | 112.7 | G967 R968 L969 G973 L974 | G967-K971 PolarHBondContact O-NZ 2.85Å; R968-K971 WeakPolarHBondContact O-CA 3.37Å; R968-K971 WeakPolarHBondContact O-CB 3.47Å; R968-K971 PolarHBondContact O-N 3.34Å; L969-K971 PolarHBondContact O-N 3.36Å; K971-G973 PolarHBondContact O-N 3.12Å; K971-L974 PolarHBondContact O-N 2.71Å |
| 972 | D | 56.4 | Low | 58.3 | Low | 91 Ų | 91 | 120 Ų | 120 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.3 | -14 | 174.4 | -80.9 | -21.3 | 0 | 0 | 0 | 113.5 | R968 L974 L975 K976 | R968-D972 PolarHBondContact O-N 3.36Å; R968-D972 VanDerWaalsContact O-N 3.16Å; D972-L974 PolarHBondContact O-N 2.93Å; D972-L975 PolarHBondContact O-N 2.86Å; D972-L975 VanDerWaalsContact O-N 3.13Å; D972-K976 PolarHBondContact O-N 3.01Å |
| 973 | G | 55.2 | Low | 56.5 | Low | 49 Ų | 49 | 120.3 Ų | 120.3 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -5.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K971 | K971-G973 PolarHBondContact O-N 3.12Š|
| 974 | L | 51.7 | Low | 54.7 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -19.4 | 174.7 | -77.3 | 169.2 | 0 | 0 | 0 | 115.1 | K971 D972 | K971-L974 PolarHBondContact O-N 2.71Å; D972-L974 PolarHBondContact O-N 2.93Å |
| 975 | L | 47.4 | Very low | 53.1 | Low | 141 Ų | 141 | 123.3 Ų | 123.3 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -15.5 | -179.2 | -74.9 | 171.1 | 0 | 0 | 0 | 113.8 | D972 K977 | D972-L975 PolarHBondContact O-N 2.86Å; D972-L975 VanDerWaalsContact O-N 3.13Å; L975-K977 PolarHBondContact O-N 3.2Å |
| 976 | K | 52 | Low | 51.6 | Low | 184 Ų | 184 | 123.2 Ų | 123.2 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 36.7 | 163.5 | -68.8 | -177.8 | 174 | 178.5 | 0 | 113.4 | D972 | D972-K976 PolarHBondContact O-N 3.01Š|
| 977 | K | 52.8 | Low | 50.4 | Low | 149 Ų | 149 | 127.6 Ų | 127.6 | 65% | 0.648 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | 4.5 | -166.5 | -93.8 | -165.3 | 174.6 | -171.6 | 0 | 116.3 | L975 | L975-K977 PolarHBondContact O-N 3.2Š|
| 978 | L | 49.3 | Very low | 49.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -121.9 | -59.8 | -171.4 | -155.6 | 79.2 | 0 | 0 | 0 | 113.8 | ||
| 979 | E | 42.8 | Very low | 47.7 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 92.6 | -169.1 | -66.9 | -179.3 | 149.9 | 0 | 0 | 108.2 | ||
| 980 | E | 38.2 | Very low | 46.2 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -128.8 | 131.6 | 12 | -69.6 | -170.6 | 91.5 | 0 | 0 | 114.9 | K982 | E980-K982 HydrophobicContact CB-CB 4.02Å; E980-K982 VanDerWaalsContact CB-O 3.25Å; E980-K982 WeakPolarHBondContact CB-O 3.42Å; E980-K982 PolarHBondContact O-N 3.34Å |
| 981 | E | 49.2 | Very low | 45.3 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -68.2 | 38.1 | 151.8 | -163.4 | -177.8 | 152.9 | 0 | 0 | 110.7 | ||||
| 982 | K | 40.1 | Very low | 44.4 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -163.3 | 93.9 | -177.4 | -65.2 | -175.7 | -175.1 | 166.5 | 0 | 109.7 | E980 | E980-K982 HydrophobicContact CB-CB 4.02Å; E980-K982 VanDerWaalsContact CB-O 3.25Å; E980-K982 WeakPolarHBondContact CB-O 3.42Å; E980-K982 PolarHBondContact O-N 3.34Å |
| 983 | A | 39.6 | Very low | 43.5 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | S | Bend | cis | -138.9 | 134.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||
| 984 | E | 40.5 | Very low | 42.7 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | 58.7 | 97.8 | 59.5 | -164.4 | -176 | -149.8 | 0 | 0 | 109.5 | |||||
| 985 | A | 40.9 | Very low | 42 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | cis | -153.9 | 164.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 986 | A | 41 | Very low | 41.6 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | trans | 50.3 | 122.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 987 | E | 46 | Very low | 40.6 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | cis | -141 | 138.3 | -2.2 | -58.9 | -161.2 | 117.4 | 0 | 0 | 106.9 | ||||
| 988 | A | 45.5 | Very low | 39.9 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | 51 | 91.5 | 68.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 989 | A | 34.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | 94.9 | 150.4 | 95.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 990 | E | 31.4 | Very low | 38.8 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | 43.3 | 119 | 74.3 | -110.3 | -174.4 | -144.7 | 0 | 0 | 110 | R992 | E990-R992 IonicContact OE1-CZ 3.02Å; E990-R992 IonicContact OE1-NH2 2.77Å; E990-R992 PolarHBondContact OE1-NH2 3.48Å; E990-R992 IonicContact OE2-CZ 2.66Å; E990-R992 IonicContact OE2-NH1 3.73Å; E990-R992 PolarHBondContact OE2-NH1 3.38Å; E990-R992 IonicContact OE2-NH2 3Å; E990-R992 PolarHBondContact OE2-NH2 3.1Å | |||
| 991 | E | 39.1 | Very low | 38.6 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 48% | 0.481 | 71% | 0.711 | S | S | . | * | -148 | 134.2 | 53 | -67.6 | -169.6 | 87.5 | 0 | 0 | 110.9 | |||||
| 992 | R | 39.1 | Very low | 37.9 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 55% | 0.551 | 71% | 0.713 | S | S | * | * | 75.9 | 155.6 | 102.2 | -61.9 | 178.3 | 170.6 | 95.1 | 22.6 | 113.6 | E990 | E990-R992 IonicContact OE1-CZ 3.02Å; E990-R992 IonicContact OE1-NH2 2.77Å; E990-R992 PolarHBondContact OE1-NH2 3.48Å; E990-R992 IonicContact OE2-CZ 2.66Å; E990-R992 IonicContact OE2-NH1 3.73Å; E990-R992 PolarHBondContact OE2-NH1 3.38Å; E990-R992 IonicContact OE2-NH2 3Å; E990-R992 PolarHBondContact OE2-NH2 3.1Å | |||
| 993 | L | 36.4 | Very low | 37.6 | Very low | 93 Ų | 93 | 118 Ų | 118 | 49% | 0.487 | 72% | 0.716 | S | S | . | * | cis | -149.6 | 141.6 | 15.5 | -163.2 | 75.2 | 0 | 0 | 0 | 111.6 | Y966 | Y966-L993 HydrophobicContact CE2-CD2 4.48Š| ||
| 994 | D | 38.1 | Very low | 37.5 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | trans | 59.1 | 160 | 147.6 | -77.1 | -7.3 | 0 | 0 | 0 | 122.7 | ||||
| 995 | C | 38.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 120 Ų | 120 | 72% | 0.716 | 72% | 0.721 | S | S | * | * | cis | -137.7 | 156.8 | 8 | -148.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 996 | C | 37.9 | Very low | 37.9 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -21.1 | 122.8 | 175.2 | -57.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 997 | N | 32.1 | Very low | 37.9 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | 83.6 | 96.1 | 61.6 | -153.4 | 20.5 | 0 | 0 | 0 | 114.1 | |||||
| 998 | D | 37.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | trans | -122.5 | 150.1 | 158.2 | -178.2 | 19.9 | 0 | 0 | 0 | 106.6 | ||||
| 999 | G | 37.1 | Very low | 36.8 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -172.8 | 144.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1000 | C | 32.6 | Very low | 36.6 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -150.9 | 155.9 | -170 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1001 | S | 34.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 63.8 | 170.9 | 169.5 | -47.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1002 | D | 32.5 | Very low | 36.2 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | cis | -156 | -179.3 | 2 | -148.7 | -14.6 | 0 | 0 | 0 | 113.7 | ||||
| 1003 | S | 34.3 | Very low | 36 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 86.9 | 153.9 | 149.8 | 80.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1004 | M | 38.4 | Very low | 36 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | cis | -171.2 | 141.3 | -28.5 | 177 | 167.8 | 178.3 | 0 | 0 | 112.6 | ||||
| 1005 | V | 43.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 53.4 | 147.4 | 156.9 | 169.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1006 | G | 45.6 | Very low | 35.7 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -143.6 | 155.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1007 | H | 41.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -135.7 | 145.4 | 172.8 | -152.1 | -72.1 | 0 | 0 | 0 | 107.3 | ||||
| 1008 | N | 33.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 124 Ų | 124 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | 74.4 | 137.3 | 176.4 | -63 | 1.8 | 0 | 0 | 0 | 120.3 | ||||
| 1009 | E | 34.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 76.6 | 128.6 | 134.5 | -75.7 | 174.4 | 138.8 | 0 | 0 | 125.5 | ||||
| 1010 | E | 31.3 | Very low | 34.4 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | 66.9 | 110.7 | 146.1 | -59.8 | -143.3 | 127.9 | 0 | 0 | 124.6 | ||||
| 1011 | A | 30.9 | Very low | 34.5 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | 89.2 | 141.9 | 126.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1012 | S | 31.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | 53.3 | 97.5 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1013 | G | 33.5 | Very low | 34.8 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | 100.1 | 153.7 | 71.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1014 | H | 36.8 | Very low | 34.4 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -151.2 | 179.3 | 5.9 | 179.1 | 61.6 | 0 | 0 | 0 | 109.4 | ||||
| 1015 | N | 35.4 | Very low | 34.1 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | -52.1 | 159.7 | 171.2 | -49.5 | -18.4 | 0 | 0 | 0 | 111.5 | ||||
| 1016 | G | 34.5 | Very low | 33.5 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | 81.8 | 158.2 | 25.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1017 | E | 30.1 | Very low | 32.9 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 64.6 | 168.8 | 174 | -67.5 | -147.6 | 99.2 | 0 | 0 | 118.1 | K1019 | E1017-K1019 IonicContact OE1-NZ 2.64Å; E1017-K1019 PolarHBondContact OE1-NZ 2.89Å | ||
| 1018 | T | 28.8 | Very low | 32.5 | Very low | 95 Ų | 95 | 128 Ų | 128 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | -161.1 | -180 | -68.1 | 11.5 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1019 | K | 28.9 | Very low | 32.6 | Very low | 153 Ų | 153 | 128 Ų | 128 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 153.2 | 152.2 | -68.6 | 138.2 | -165.6 | 162 | 0 | 114.1 | E1017 | E1017-K1019 IonicContact OE1-NZ 2.64Å; E1017-K1019 PolarHBondContact OE1-NZ 2.89Å | ||
| 1020 | T | 29.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -175.7 | -178.9 | -0 | 23.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1021 | P | 36.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -135.2 | -174.6 | -38.6 | 38 | -19.9 | 0 | 0 | 0 | 113.9 | ||||
| 1022 | R | 35.1 | Very low | 33.2 | Very low | 235 Ų | 235 | 121.7 Ų | 121.7 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | -9 | 149.9 | 146.6 | -84.7 | 177.4 | 175 | 175.2 | -2 | 118.5 | ||||
| 1023 | P | 36.7 | Very low | 33.3 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | -146.2 | -171.3 | 56.6 | 41.8 | -21.8 | 0 | 0 | 0 | 118.7 | |||||
| 1024 | S | 27.1 | Very low | 33.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -98 | 172.1 | -163.1 | 51.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1025 | S | 30.1 | Very low | 33 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 77.9 | 145.6 | 160.1 | -79.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1026 | A | 31.5 | Very low | 32.8 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -169.3 | 154.3 | -16.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1027 | R | 34 | Very low | 32.6 | Very low | 219 Ų | 219 | 123.5 Ų | 123.5 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | 49.4 | 132.6 | 139.8 | -157.3 | 177.4 | -163.1 | 161.4 | 6.3 | 120 | E1044 | R1027-E1044 PolarHBondContact NH2-O 3.25Š| ||
| 1028 | G | 33.3 | Very low | 32.9 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | cis | 157.7 | 175.4 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1029 | S | 35.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 68.4 | 148.1 | 168.9 | -66.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1030 | S | 34.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | cis | -175.3 | 156.1 | -14.3 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1031 | G | 35.1 | Very low | 34.1 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | 128 | 109.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1032 | S | 39.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -161 | 142.3 | 175.3 | -169.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1033 | R | 33.9 | Very low | 34.4 | Very low | 249 Ų | 249 | 114.4 Ų | 114.4 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | 57.1 | 108.7 | 167.9 | -79.6 | -178 | 157.3 | 177.9 | -6.9 | 119.7 | ||||
| 1034 | G | 32.7 | Very low | 34.5 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 157.2 | 63.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1035 | G | 31 | Very low | 35 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 64 | 121.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1036 | G | 30.9 | Very low | 35.4 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 110.9 | 113 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1037 | G | 31.5 | Very low | 35.4 | Very low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 100.5 | 133 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1038 | S | 36 | Very low | 35.7 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 62.3 | 140 | 155.8 | -53 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1039 | S | 33.3 | Very low | 35.8 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -160.4 | 172.2 | 175.2 | 74.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1040 | S | 39.1 | Very low | 35.7 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 73.3 | 148.2 | -171.1 | 80.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1041 | S | 39.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -163.7 | 167.9 | -28.8 | 73.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1042 | S | 39 | Very low | 36.3 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -151.8 | -173.1 | -4.4 | 63.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1043 | S | 38.1 | Very low | 35.9 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | cis | -156.9 | -172.7 | -2.6 | -153.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1044 | E | 38.5 | Very low | 36 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | trans | 46 | 137.7 | 150.8 | -75.3 | 178.3 | -172.4 | 0 | 0 | 121.6 | R1027 | R1027-E1044 PolarHBondContact NH2-O 3.25Š| ||
| 1045 | L | 38.4 | Very low | 36 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | cis | -161.7 | 145.7 | -4.8 | 175.5 | 60.6 | 0 | 0 | 0 | 110.1 | ||||
| 1046 | S | 39 | Very low | 36.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 74.4 | 162.9 | 160.5 | -71.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1047 | T | 32.1 | Very low | 36.1 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -130.3 | -162.3 | -161 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1048 | P | 39.5 | Very low | 36.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -144.2 | -178.4 | -0.5 | 44.6 | -23.8 | 0 | 0 | 0 | 119.6 | ||||
| 1049 | E | 35.7 | Very low | 36 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | 62.8 | 122.9 | 146.3 | -80.2 | -161.3 | 106.2 | 0 | 0 | 128.6 | ||||
| 1050 | K | 33.1 | Very low | 35.7 | Very low | 179 Ų | 179 | 131 Ų | 131 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 156 | 132.5 | -81.5 | -173.7 | -178.7 | 133.2 | 0 | 124.7 | ||||
| 1051 | P | 41.9 | Very low | 35.2 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -110 | 175.7 | -164.8 | 43.5 | -36.6 | 0 | 0 | 0 | 115.9 | ||||
| 1052 | P | 40.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | -150.2 | 160.8 | 118.6 | 34.9 | -16.5 | 0 | 0 | 0 | 118.9 | |||||
| 1053 | H | 30.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | trans | 6 | 131.4 | 156.3 | -43.9 | -66.9 | 0 | 0 | 0 | 123.5 | ||||
| 1054 | Q | 36.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | 173.4 | 119.9 | 99.7 | -91.3 | -168.8 | 93.9 | 0 | 0 | 110.4 | |||||
| 1055 | R | 32.7 | Very low | 33.1 | Very low | 219 Ų | 219 | 134.4 Ų | 134.4 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | 84.1 | 115.9 | 81.4 | -170.6 | -170.5 | -127.4 | 156.3 | -1.7 | 111.9 | |||||
| 1056 | A | 34.4 | Very low | 32.4 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | cis | -156.3 | 171.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1057 | G | 30 | Very low | 31.8 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -73.7 | -174.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1058 | P | 39.5 | Very low | 31.5 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | -141.5 | 166.2 | 63.4 | 27.3 | -5.3 | 0 | 0 | 0 | 117.7 | |||||
| 1059 | F | 26.2 | Very low | 30.8 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | 14.8 | 137.1 | 143.9 | -60.8 | -70.6 | 0 | 0 | 0 | 122.7 | ||||
| 1060 | S | 26.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 68.5 | 155.4 | 139.7 | -56.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1061 | S | 28 | Very low | 30.1 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | cis | -142.1 | 160.2 | 4.4 | -19.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1062 | R | 28.4 | Very low | 29.4 | Very low | 173 Ų | 173 | 132 Ų | 132 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | 53.9 | 135.1 | 70.6 | -136.7 | 178.7 | 171.4 | -178.2 | -0.8 | 110.5 | E1064 | R1062-E1064 IonicContact CZ-OE1 2.84Å; R1062-E1064 IonicContact NE-OE1 3.83Å; R1062-E1064 PolarHBondContact NE-OE1 3.09Å; R1062-E1064 VanDerWaalsContact NE-OE1 3.07Å; R1062-E1064 IonicContact NH2-OE1 3.07Å; R1062-E1064 PolarHBondContact NH2-OE1 3.09Å | |||
| 1063 | W | 28.7 | Very low | 29.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | cis | -131.4 | 153.9 | 32.1 | -72.9 | 73.1 | 0 | 0 | 0 | 110 | ||||
| 1064 | E | 26.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 56% | 0.556 | 75% | 0.75 | S | S | * | * | 61.9 | 132.9 | 67.4 | -103.2 | -178.6 | -97.7 | 0 | 0 | 110.4 | R1062 | R1062-E1064 IonicContact CZ-OE1 2.84Å; R1062-E1064 IonicContact NE-OE1 3.83Å; R1062-E1064 PolarHBondContact NE-OE1 3.09Å; R1062-E1064 VanDerWaalsContact NE-OE1 3.07Å; R1062-E1064 IonicContact NH2-OE1 3.07Å; R1062-E1064 PolarHBondContact NH2-OE1 3.09Å | |||
| 1065 | T | 26.7 | Very low | 29.4 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 165.6 | 7.3 | -25 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1066 | T | 25.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | 60.4 | 174.6 | 151.6 | 49 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1067 | M | 24.9 | Very low | 29.4 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | cis | -165.3 | 145.8 | -35.2 | -101 | -80.3 | -159 | 0 | 0 | 107.4 | ||||
| 1068 | G | 26.1 | Very low | 29.5 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 62.5 | -176.1 | 166 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1069 | E | 25.1 | Very low | 29.4 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | cis | -151.1 | 177.2 | -22.4 | -151.4 | 167.9 | 172.6 | 0 | 0 | 109.4 | ||||
| 1070 | A | 25.1 | Very low | 29.9 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -67.4 | 153.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1071 | S | 28.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | 175.7 | 129.3 | 119.4 | -79.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1072 | A | 27.9 | Very low | 31.1 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 69.3 | 146.9 | 141 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1073 | S | 35.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 65.7 | 92.9 | 162.8 | 50.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1074 | I | 34.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 120.6 Ų | 120.6 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | 55.4 | 121.8 | 69.1 | -54.8 | 178.2 | 0 | 0 | 0 | 111.8 | |||||
| 1075 | P | 36.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -141.6 | 177.5 | 43 | 45.1 | -28.3 | 0 | 0 | 0 | 118.8 | ||||
| 1076 | T | 29.5 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 14.4 | 149.4 | 146.3 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1077 | T | 37.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | cis | -160.8 | 134.4 | 28.8 | -133.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1078 | V | 31.9 | Very low | 38 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | 69.6 | 130.1 | 94.6 | -179.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1079 | G | 37 | Very low | 39.8 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -108.8 | -171 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1080 | S | 37.4 | Very low | 41.6 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -162.2 | 153.8 | 177.2 | -75.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1081 | L | 43.9 | Very low | 43.3 | Very low | 180 Ų | 180 | 118.8 Ų | 118.8 | 94% | 0.942 | 72% | 0.722 | S | S | * | * | trans | -102.7 | 127.8 | -173.8 | -66 | 86.7 | 0 | 0 | 0 | 113.9 | ||||
| 1082 | P | 35.5 | Very low | 45.1 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | trans | -125.9 | 162 | 160.9 | 38.1 | -25.5 | 0 | 0 | 0 | 112.1 | ||||
| 1083 | S | 40.7 | Very low | 46.5 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | cis | -150.7 | 154.5 | -1.4 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | K1085 | S1083-K1085 VanDerWaalsContact C-N 3.27Å; S1083-K1085 PolarHBondContact O-N 3.26Å | ||
| 1084 | S | 43.1 | Very low | 47.7 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -78 | 29.4 | -166.1 | 52.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1085 | K | 53.5 | Low | 48.5 | Very low | 179 Ų | 179 | 118.8 Ų | 118.8 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | trans | -137.4 | 32 | -165.6 | -61.1 | -170.1 | 176.8 | -175 | 0 | 116.6 | S1083 | S1083-K1085 VanDerWaalsContact C-N 3.27Å; S1083-K1085 PolarHBondContact O-N 3.26Å | ||
| 1086 | S | 58.8 | Low | 49.3 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | trans | -115.2 | 147.5 | 176.8 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | L1088 G1089 M1090 | S1086-L1088 PolarHBondContact O-N 3.47Å; S1086-G1089 CarbonylContact O-C 3.53Å; S1086-G1089 WeakPolarHBondContact O-CA 3.33Å; S1086-G1089 PolarHBondContact O-N 3.48Å; S1086-M1090 PolarHBondContact O-N 3.36Å | ||
| 1087 | F | 53.4 | Low | 50.3 | Low | 151 Ų | 151 | 127.8 Ų | 127.8 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62 | -38.2 | -167.7 | -165.6 | -99.4 | 0 | 0 | 0 | 114.3 | M1090 K1091 | F1087-M1090 PolarHBondContact O-N 3.37Å; F1087-K1091 HydrophobicContact CE1-CD 4.49Å; F1087-K1091 PolarHBondContact O-N 3.34Å |
| 1088 | L | 57.3 | Low | 50.5 | Low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.5 | -33.5 | 174.2 | -77.4 | 86.8 | 0 | 0 | 0 | 112.2 | S1086 M1090 A1092 | S1086-L1088 PolarHBondContact O-N 3.47Å; L1088-M1090 VanDerWaalsContact C-N 3.27Å; L1088-M1090 PolarHBondContact O-N 3.49Å; L1088-A1092 PolarHBondContact O-N 2.95Å |
| 1089 | G | 62.3 | Low | 50.7 | Low | 45 Ų | 45 | 132.7 Ų | 132.7 | 46% | 0.464 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -72.3 | -18.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1086 R1093 | S1086-G1089 CarbonylContact O-C 3.53Å; S1086-G1089 WeakPolarHBondContact O-CA 3.33Å; S1086-G1089 PolarHBondContact O-N 3.48Å; G1089-R1093 WeakPolarHBondContact O-CB 3.49Å |
| 1090 | M | 64.5 | Low | 50.6 | Low | 106 Ų | 106 | 134.8 Ų | 134.8 | 52% | 0.522 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -85.1 | -43.9 | 169.2 | -78 | 176 | 57.1 | 0 | 0 | 112.2 | S1086 F1087 L1088 A1092 R1093 E1094 | S1086-M1090 PolarHBondContact O-N 3.36Å; F1087-M1090 PolarHBondContact O-N 3.37Å; L1088-M1090 VanDerWaalsContact C-N 3.27Å; L1088-M1090 PolarHBondContact O-N 3.49Å; M1090-A1092 PolarHBondContact O-N 2.65Å; M1090-R1093 CarbonylContact O-C 3.5Å; M1090-R1093 WeakPolarHBondContact O-CA 3.5Å; M1090-R1093 VanDerWaalsContact O-CB 3.32Å; M1090-R1093 WeakPolarHBondContact O-CB 3.13Å; M1090-R1093 PolarHBondContact O-N 2.9Å; M1090-E1094 PolarHBondContact O-N 3.2Å |
| 1091 | K | 60.9 | Low | 50.4 | Low | 139 Ų | 139 | 138.6 Ų | 138.6 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.1 | -27.6 | -175.3 | -166 | 162.3 | -164.1 | -177.3 | 0 | 113.4 | F1087 R1093 E1094 | F1087-K1091 HydrophobicContact CE1-CD 4.49Å; F1087-K1091 PolarHBondContact O-N 3.34Å; K1091-R1093 PolarHBondContact O-N 3.5Å; K1091-E1094 WeakPolarHBondContact CG-OE2 3.36Å |
| 1092 | A | 64.6 | Low | 49.9 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -19.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1088 M1090 L1095 | L1088-A1092 PolarHBondContact O-N 2.95Å; M1090-A1092 PolarHBondContact O-N 2.65Å; A1092-L1095 WeakPolarHBondContact O-CD2 3.22Å; A1092-L1095 WeakPolarHBondContact O-CG 3.23Å; A1092-L1095 PolarHBondContact O-N 3.27Å; A1092-L1095 VanDerWaalsContact O-N 3.16Å |
| 1093 | R | 58.9 | Low | 49.7 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -2.4 | -174.7 | -148.1 | 174.6 | -170.7 | 167.4 | 3.1 | 115.2 | G1089 M1090 K1091 L1095 | G1089-R1093 WeakPolarHBondContact O-CB 3.49Å; M1090-R1093 CarbonylContact O-C 3.5Å; M1090-R1093 WeakPolarHBondContact O-CA 3.5Å; M1090-R1093 VanDerWaalsContact O-CB 3.32Å; M1090-R1093 WeakPolarHBondContact O-CB 3.13Å; M1090-R1093 PolarHBondContact O-N 2.9Å; K1091-R1093 PolarHBondContact O-N 3.5Å; R1093-L1095 HydrophobicContact CG-CD1 4.14Å; R1093-L1095 HydrophobicContact CG-CG 4.47Å; R1093-L1095 PolarHBondContact O-N 3.34Å |
| 1094 | E | 60.1 | Low | 49.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -69.3 | 16.1 | 136.7 | -65.1 | 169.9 | 133.1 | 0 | 0 | 110.8 | M1090 K1091 F1096 | M1090-E1094 PolarHBondContact O-N 3.2Å; K1091-E1094 WeakPolarHBondContact CG-OE2 3.36Å; E1094-F1096 PolarHBondContact O-N 2.69Å |
| 1095 | L | 51.5 | Low | 49.1 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 48% | 0.476 | 70% | 0.7 | S | S | . | * | trans | -16.4 | 127.4 | 141.9 | -86.7 | -179.6 | 0 | 0 | 0 | 110.9 | A1092 R1093 R1097 | A1092-L1095 WeakPolarHBondContact O-CD2 3.22Å; A1092-L1095 WeakPolarHBondContact O-CG 3.23Å; A1092-L1095 PolarHBondContact O-N 3.27Å; A1092-L1095 VanDerWaalsContact O-N 3.16Å; R1093-L1095 HydrophobicContact CG-CD1 4.14Å; R1093-L1095 HydrophobicContact CG-CG 4.47Å; R1093-L1095 PolarHBondContact O-N 3.34Å; L1095-R1097 WeakPolarHBondContact O-CB 3.29Å; L1095-R1097 PolarHBondContact O-N 3.33Å | ||
| 1096 | F | 52.3 | Low | 48.3 | Very low | 208 Ų | 208 | 137.7 Ų | 137.7 | 91% | 0.912 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 41.3 | 38.3 | 132.9 | -58 | -106 | 0 | 0 | 0 | 117.5 | E1094 | E1094-F1096 PolarHBondContact O-N 2.69Š|
| 1097 | R | 52.1 | Low | 46.9 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -126.3 | -17.2 | -170.6 | -164.3 | 168.2 | -170.9 | -166.7 | -0.3 | 116.2 | L1095 | L1095-R1097 WeakPolarHBondContact O-CB 3.29Å; L1095-R1097 PolarHBondContact O-N 3.33Å | ||
| 1098 | N | 40.1 | Very low | 45.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -111.9 | 50.2 | 179.5 | -70.7 | 48.8 | 0 | 0 | 0 | 112.2 | ||||
| 1099 | K | 37.1 | Very low | 44.2 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -81.5 | 162.7 | 134.2 | -94.3 | -170 | 171.5 | -171.6 | 0 | 107.1 | ||
| 1100 | S | 35.2 | Very low | 42.5 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | 66.1 | 156.7 | 179.5 | 32.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1101 | E | 31.8 | Very low | 40.5 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | 63.4 | 118.5 | -163.5 | -56.6 | -174.1 | 132.2 | 0 | 0 | 112.7 | ||||
| 1102 | S | 33.9 | Very low | 38.9 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -152 | 167.8 | 9.1 | 66.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1103 | Q | 31.9 | Very low | 37 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | cis | -162.6 | 160.1 | 10.2 | -144.6 | 171.5 | -2.2 | 0 | 0 | 109.9 | ||||
| 1104 | C | 33.4 | Very low | 35.4 | Very low | 92 Ų | 92 | 140 Ų | 140 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | trans | 64.3 | 134.7 | 158.5 | -65.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1105 | D | 36.9 | Very low | 33.8 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -149.8 | 150.8 | -7.8 | -91.5 | -33.1 | 0 | 0 | 0 | 111.6 | ||||
| 1106 | E | 37.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 34 | 118.7 | 150.8 | -54.6 | -99.7 | 134.7 | 0 | 0 | 119.2 | ||||
| 1107 | D | 29.9 | Very low | 31.4 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | 86.9 | 156.9 | 55.5 | -81.9 | -66.1 | 0 | 0 | 0 | 115.3 | |||||
| 1108 | G | 27.1 | Very low | 30.3 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | 72.5 | 84.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1109 | M | 26.2 | Very low | 30 | Very low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | 48.3 | 71.1 | 68 | -168.1 | 57.6 | 178 | 0 | 0 | 114.6 | |||||
| 1110 | T | 26.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -149.7 | 105 | 156.2 | 21.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1111 | S | 23.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | 83 | 135.8 | 83.9 | 72.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1112 | S | 27.1 | Very low | 30 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -7.5 | 128.9 | 156.1 | 173.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1113 | L | 24.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | -161.5 | 104.6 | 128.1 | -96.8 | -172.9 | 0 | 0 | 0 | 111.2 | E1115 | L1113-E1115 HydrophobicContact CB-CB 4.35Å; L1113-E1115 HydrophobicContact CD1-CB 3.96Å; L1113-E1115 HydrophobicContact CD1-CG 4.27Å; L1113-E1115 WeakPolarHBondContact CD1-OE2 3.37Å; L1113-E1115 HydrophobicContact CD2-CB 3.68Å; L1113-E1115 HydrophobicContact CD2-CG 3.45Å; L1113-E1115 VanDerWaalsContact CD2-CG 3.45Å; L1113-E1115 HydrophobicContact CG-CB 4.16Å; L1113-E1115 HydrophobicContact CG-CG 4.38Å; L1113-E1115 PolarHBondContact O-N 2.66Å | |||
| 1114 | S | 25.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | trans | -84.6 | 53.2 | 141 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1115 | E | 25.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | trans | -79.3 | 137.8 | 149.5 | -90.2 | -173.1 | 155.9 | 0 | 0 | 106.8 | L1113 | L1113-E1115 HydrophobicContact CB-CB 4.35Å; L1113-E1115 HydrophobicContact CD1-CB 3.96Å; L1113-E1115 HydrophobicContact CD1-CG 4.27Å; L1113-E1115 WeakPolarHBondContact CD1-OE2 3.37Å; L1113-E1115 HydrophobicContact CD2-CB 3.68Å; L1113-E1115 HydrophobicContact CD2-CG 3.45Å; L1113-E1115 VanDerWaalsContact CD2-CG 3.45Å; L1113-E1115 HydrophobicContact CG-CB 4.16Å; L1113-E1115 HydrophobicContact CG-CG 4.38Å; L1113-E1115 PolarHBondContact O-N 2.66Å | ||
| 1116 | S | 26.2 | Very low | 30.6 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | 58.8 | 123.5 | 71.8 | 142.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1117 | L | 27.5 | Very low | 30.4 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | cis | -161.5 | 143.7 | 10.4 | -111.4 | 165.8 | 0 | 0 | 0 | 108.3 | ||||
| 1118 | K | 30.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 120.9 Ų | 120.9 | 70% | 0.7 | 70% | 0.695 | S | S | * | * | trans | 63.3 | 141.8 | 161.6 | -62.4 | 151 | 178.3 | 159.4 | 0 | 113.4 | ||||
| 1119 | T | 32 | Very low | 30.5 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | cis | -149.2 | 120.1 | 49.8 | -62.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1120 | E | 33.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | 49.4 | 130.5 | 116.1 | -50 | -179.6 | 168.3 | 0 | 0 | 114.3 | |||||
| 1121 | L | 34 | Very low | 31.3 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | cis | -141.5 | 132.5 | 15.7 | -157 | 55.7 | 0 | 0 | 0 | 105.8 | ||||
| 1122 | G | 37.2 | Very low | 31.9 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | 79.4 | 125.1 | 78.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1123 | K | 38.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 125 Ų | 125 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | cis | -152.7 | 155.5 | 26.1 | -102.8 | -174.9 | 165.3 | -99.9 | 0 | 113.1 | ||||
| 1124 | D | 37.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 58% | 0.578 | 70% | 0.697 | S | S | * | * | 30 | 141.6 | 125.7 | -49.1 | -10.8 | 0 | 0 | 0 | 119 | |||||
| 1125 | L | 37.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | cis | -157.3 | 162.1 | -3.8 | -106.3 | 161.3 | 0 | 0 | 0 | 104.4 | ||||
| 1126 | G | 35.6 | Very low | 35.1 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | 69.6 | 112.5 | 57.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1127 | V | 31.3 | Very low | 35.8 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 51% | 0.509 | 71% | 0.712 | S | S | . | * | -166.9 | 97.9 | 129.1 | 142.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1128 | E | 30.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | 56.4 | 148.7 | 131.3 | -57.6 | 179.8 | 107.5 | 0 | 0 | 122 | ||||
| 1129 | A | 29.5 | Very low | 36.6 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -56.5 | 137.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1130 | K | 39.4 | Very low | 36.9 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 61.3 | 71.5 | 160.4 | -167.1 | -176 | -179.1 | 180 | 0 | 113.4 | ||
| 1131 | I | 28.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 98.1 | 126.3 | 170.7 | -56.1 | 155.7 | 0 | 0 | 0 | 112.5 | ||
| 1132 | P | 36.6 | Very low | 37.6 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 51% | 0.506 | 73% | 0.726 | S | S | . | * | cis | -145.9 | 167.9 | -17.5 | 41.1 | -21.9 | 0 | 0 | 0 | 118.9 | ||||
| 1133 | L | 37.4 | Very low | 38 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | 79.9 | 113 | 149.9 | -69.9 | 154.9 | 0 | 0 | 0 | 124.4 | ||||
| 1134 | N | 44.1 | Very low | 38 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | 65.6 | 113.5 | 128.1 | -72.3 | -1 | 0 | 0 | 0 | 126.9 | |||||
| 1135 | L | 43.8 | Very low | 38.3 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 90.9 | 126.7 | 111.9 | -151.3 | 76.8 | 0 | 0 | 0 | 124.3 | |||||
| 1136 | D | 45.3 | Very low | 38.2 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 42.6 | 149.9 | 150.4 | -71.4 | -35.8 | 0 | 0 | 0 | 126.8 | ||||
| 1137 | G | 40.1 | Very low | 38.4 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 144.9 | 122.5 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1138 | P | 41 | Very low | 38.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -122.4 | -173.6 | -174.7 | 42.2 | -30.8 | 0 | 0 | 0 | 117.2 | ||||
| 1139 | H | 35 | Very low | 39.2 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 97.8 | 136.3 | 174.9 | -60.3 | -66.5 | 0 | 0 | 0 | 116.3 | ||||
| 1140 | P | 38.3 | Very low | 39.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | -127.6 | -173.7 | 70.1 | 41.1 | -30.7 | 0 | 0 | 0 | 116.2 | |||||
| 1141 | S | 38.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -108.4 | 164.2 | -171.2 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1142 | P | 44.4 | Very low | 40.3 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -92 | -171 | -173 | 40.9 | -38.9 | 0 | 0 | 0 | 113.2 | ||||
| 1143 | P | 45.3 | Very low | 40.6 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | -154.9 | 140.6 | 91.3 | 38 | -17.7 | 0 | 0 | 0 | 119.3 | |||||
| 1144 | T | 38.9 | Very low | 41 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 164.3 | 139 | 65.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1145 | P | 42.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | -140.3 | 174.2 | -83.7 | 38.2 | -17.5 | 0 | 0 | 0 | 116 | |||||
| 1146 | D | 36 | Very low | 40.7 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | 170.9 | 160.8 | 124.4 | -95.9 | -16.2 | 0 | 0 | 0 | 114.9 | |||||
| 1147 | S | 39 | Very low | 40.6 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 92 | 97.6 | 158.3 | -151.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1148 | V | 37 | Very low | 40.7 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | 58.1 | 123.6 | 131 | -174.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1149 | G | 42.1 | Very low | 40.8 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | 149.1 | 158.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1150 | Q | 40.9 | Very low | 41.3 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | cis | -171.6 | 138.8 | -19.6 | 179 | 166.8 | -17.5 | 0 | 0 | 111.8 | ||||
| 1151 | L | 38.7 | Very low | 41.4 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | trans | 54 | 136.6 | 159.3 | -73.5 | 171.4 | 0 | 0 | 0 | 122.8 | G544 | G544-L1151 CarbonylContact O-C 3.52Å; G544-L1151 VanDerWaalsContact O-C 3.3Å | ||
| 1152 | H | 40.6 | Very low | 41.6 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | -167.1 | 178.4 | 91.8 | -150.9 | -100.2 | 0 | 0 | 0 | 113.7 | G544 | G544-H1152 PolarHBondContact O-N 3.18Å; G544-H1152 VanDerWaalsContact O-N 3.1Å | |||
| 1153 | I | 43.9 | Very low | 41.4 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 32% | 0.318 | 71% | 0.712 | S | S | . | * | trans | -120.6 | 147.2 | -163.9 | -59.5 | 156.1 | 0 | 0 | 0 | 111.5 | K542 | K542-I1153 HydrophobicContact CD-CG1 4.49Š| ||
| 1154 | M | 44.6 | Very low | 40.8 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -157.1 | 141.7 | 139 | -147.9 | 158.9 | 67.3 | 0 | 0 | 111.6 | ||||
| 1155 | D | 39.7 | Very low | 40.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -89.8 | 161.5 | -177.4 | -53.9 | -80.4 | 0 | 0 | 0 | 113.2 | ||||
| 1156 | Y | 42.3 | Very low | 40.8 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | -172.5 | 149 | 116.4 | -112.2 | -78.1 | 0 | 0 | 0 | 113.9 | |||||
| 1157 | N | 43.3 | Very low | 41.1 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | trans | -49.5 | 160.9 | -172.2 | -62.2 | 0.3 | 0 | 0 | 0 | 120.3 | ||||
| 1158 | E | 42.3 | Very low | 41.2 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | 113.3 | 139.4 | 120.1 | -106.1 | 158 | -118.5 | 0 | 0 | 122 | |||||
| 1159 | T | 42.2 | Very low | 41.4 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | 65.4 | 124.5 | 162.5 | 55.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1160 | H | 45.7 | Very low | 41.4 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 60% | 0.602 | 72% | 0.723 | S | S | * | * | trans | -66.6 | 155.8 | 167.6 | -63 | -140 | 0 | 0 | 0 | 111.3 | E1162 | H1160-E1162 IonicContact ND1-OE2 3.67Š| ||
| 1161 | H | 40.1 | Very low | 41.4 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 90% | 0.903 | 72% | 0.718 | S | S | * | * | -147.5 | 133.5 | 115.5 | -116.3 | -64.6 | 0 | 0 | 0 | 111.2 | |||||
| 1162 | E | 44.1 | Very low | 41.6 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -93.1 | 175.5 | -175.7 | -66.1 | 174.7 | 78.5 | 0 | 0 | 113.2 | H1160 | H1160-E1162 IonicContact ND1-OE2 3.67Š| ||
| 1163 | H | 39.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 76.1 | 100.3 | 160.6 | -49.5 | -43.5 | 0 | 0 | 0 | 118.3 | ||||
| 1164 | S | 32.8 | Very low | 41.5 | Very low | 186 Ų | 186 | 156.3 Ų | 156.3 | 100% | 1.301 | 79% | 0.788 | S | S | * | * | -108.2 | 0 | 112 | -178.3 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 1,164 of 1,164 residues in 1620.2 ms
(Link to these results)