| 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 | 44.6 | Very low | 55.3 | Low | 171 Ų | 171 | 85.9 Ų | 85.9 | 84% | 0.842 | 48% | 0.477 | S | S | * | . | 0 | 5 | 0 | -81.5 | -179.6 | 170.7 | 0 | 0 | 113.1 | L140 | M1-L140 HydrophobicContact CE-CD2 3.7Å; M1-L140 HydrophobicContact SD-CD2 4.03Å | |||
| 2 | D | 40.9 | Very low | 58.1 | Low | 104 Ų | 104 | 80.9 Ų | 80.9 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -16.9 | -143.9 | -49.7 | -74.8 | 0 | 0 | 0 | 113.5 | S4 Q5 | D2-S4 PolarHBondContact O-N 2.72Å; D2-Q5 WeakPolarHBondContact O-CA 3.35Å; D2-Q5 VanDerWaalsContact O-CB 3.31Å; D2-Q5 WeakPolarHBondContact O-CB 3.43Å; D2-Q5 PolarHBondContact O-N 3.33Å; D2-Q5 PolarHBondContact OD1-NE2 3.43Å |
| 3 | I | 43.7 | Very low | 60.6 | Low | 152 Ų | 152 | 82.1 Ų | 82.1 | 78% | 0.779 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.6 | -35 | 175.7 | -59.2 | 174.6 | 0 | 0 | 0 | 111.5 | A6 | I3-A6 WeakPolarHBondContact O-CB 3.41Å; I3-A6 PolarHBondContact O-N 2.9Å |
| 4 | S | 42.6 | Very low | 62.9 | Low | 49 Ų | 49 | 82.2 Ų | 82.2 | 34% | 0.343 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -85.7 | -5.1 | 174.1 | -51.8 | 0 | 0 | 0 | 0 | 114.5 | D2 A6 K200 | D2-S4 PolarHBondContact O-N 2.72Å; S4-A6 VanDerWaalsContact C-N 3.3Å; S4-K200 VanDerWaalsContact CB-NZ 3.34Å; S4-K200 WeakPolarHBondContact OG-CE 3.47Å; S4-K200 PolarHBondContact OG-NZ 3.47Å |
| 5 | Q | 46.9 | Very low | 64.9 | Low | 129 Ų | 129 | 76.7 Ų | 76.7 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -75.1 | -24.1 | 166.2 | -61.5 | -166.1 | 52.2 | 0 | 0 | 111.2 | D2 G9 | D2-Q5 WeakPolarHBondContact O-CA 3.35Å; D2-Q5 VanDerWaalsContact O-CB 3.31Å; D2-Q5 WeakPolarHBondContact O-CB 3.43Å; D2-Q5 PolarHBondContact O-N 3.33Å; D2-Q5 PolarHBondContact OD1-NE2 3.43Å; Q5-G9 WeakPolarHBondContact O-CA 3.37Å; Q5-G9 PolarHBondContact O-N 2.94Å |
| 6 | A | 45.5 | Very low | 66.7 | Low | 52 Ų | 52 | 75.6 Ų | 75.6 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -64 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I3 S4 G8 G9 D10 | I3-A6 WeakPolarHBondContact O-CB 3.41Å; I3-A6 PolarHBondContact O-N 2.9Å; S4-A6 VanDerWaalsContact C-N 3.3Å; A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.11Å; A6-G9 WeakPolarHBondContact O-CA 3.34Å; A6-G9 PolarHBondContact O-N 3.44Å; A6-D10 PolarHBondContact O-N 3.39Å; A6-D10 VanDerWaalsContact O-N 3.1Å |
| 7 | H | 49.8 | Very low | 68.3 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 60% | 0.597 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.1 | -34.2 | -178.6 | -68.6 | 27.3 | 0 | 0 | 0 | 113.1 | ||
| 8 | G | 55.5 | Low | 69.8 | Low | 23 Ų | 23 | 76 Ų | 76 | 24% | 0.237 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.9 | -28.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A6 V12 | A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.11Å; G8-V12 VanDerWaalsContact O-CG2 3.27Å; G8-V12 WeakPolarHBondContact O-CG2 3.3Å; G8-V12 PolarHBondContact O-N 3.43Å |
| 9 | G | 69 | Low | 71.2 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 25% | 0.247 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q5 A6 V11 V12 N13 | Q5-G9 WeakPolarHBondContact O-CA 3.37Å; Q5-G9 PolarHBondContact O-N 2.94Å; A6-G9 WeakPolarHBondContact O-CA 3.34Å; A6-G9 PolarHBondContact O-N 3.44Å; G9-V11 PolarHBondContact O-N 2.99Å; G9-V12 PolarHBondContact O-N 2.88Å; G9-V12 VanDerWaalsContact O-N 3.17Å; G9-N13 WeakPolarHBondContact O-CB 3.48Å; G9-N13 PolarHBondContact O-N 3.25Å; G9-N13 PolarHBondContact O-ND2 3.41Å |
| 10 | D | 81.6 | Confident | 72.4 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | -177.9 | -59.6 | -37.8 | 0 | 0 | 0 | 112 | A6 V12 N13 I14 | A6-D10 PolarHBondContact O-N 3.39Å; A6-D10 VanDerWaalsContact O-N 3.1Å; D10-V12 VanDerWaalsContact C-N 3.31Å; D10-V12 PolarHBondContact O-N 3.25Å; D10-N13 PolarHBondContact O-N 3.33Å; D10-I14 VanDerWaalsContact O-CG1 3.3Å; D10-I14 WeakPolarHBondContact O-CG1 3.21Å; D10-I14 PolarHBondContact O-N 3.13Å |
| 11 | V | 88.2 | Confident | 73.6 | Confident | 22 Ų | 22 | 72 Ų | 72 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | G9 A15 E207 K208 M211 | G9-V11 PolarHBondContact O-N 2.99Å; V11-A15 VanDerWaalsContact O-CB 3.26Å; V11-A15 WeakPolarHBondContact O-CB 3.5Å; V11-A15 PolarHBondContact O-N 3.22Å; V11-E207 HydrophobicContact CG1-CB 3.89Å; V11-K208 HydrophobicContact CG1-CG 4.29Å; V11-K208 HydrophobicContact CG2-CG 4.42Å; V11-M211 HydrophobicContact CG1-CB 4.28Å; V11-M211 HydrophobicContact CG1-CE 4.49Å; V11-M211 HydrophobicContact CG1-SD 3.99Å |
| 12 | V | 89.1 | Confident | 76 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 176.6 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | G8 G9 D10 A15 N16 E207 | G8-V12 VanDerWaalsContact O-CG2 3.27Å; G8-V12 WeakPolarHBondContact O-CG2 3.3Å; G8-V12 PolarHBondContact O-N 3.43Å; G9-V12 PolarHBondContact O-N 2.88Å; G9-V12 VanDerWaalsContact O-N 3.17Å; D10-V12 VanDerWaalsContact C-N 3.31Å; D10-V12 PolarHBondContact O-N 3.25Å; V12-A15 PolarHBondContact O-N 3.4Å; V12-N16 WeakPolarHBondContact O-CB 3.47Å; V12-N16 PolarHBondContact O-N 3.22Å; V12-N16 PolarHBondContact O-ND2 3.21Å; V12-N16 VanDerWaalsContact O-ND2 3.1Å; V12-N16 PolarHBondContact O-OD1 3.39Å; V12-E207 HydrophobicContact CG2-CB 4.3Å; V12-E207 HydrophobicContact CG2-CG 3.78Å |
| 13 | N | 91.1 | Very high | 78.7 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 178 | -70.4 | -24.9 | 0 | 0 | 0 | 111.2 | G9 D10 A15 N16 Y17 | G9-N13 WeakPolarHBondContact O-CB 3.48Å; G9-N13 PolarHBondContact O-N 3.25Å; G9-N13 PolarHBondContact O-ND2 3.41Å; D10-N13 PolarHBondContact O-N 3.33Å; N13-A15 PolarHBondContact O-N 2.93Å; N13-N16 WeakPolarHBondContact O-CB 3.41Å; N13-N16 PolarHBondContact O-N 3.17Å; N13-N16 VanDerWaalsContact O-N 3.11Å; N13-Y17 WeakPolarHBondContact O-CB 3.35Å; N13-Y17 PolarHBondContact O-N 3.27Å |
| 14 | I | 92.1 | Very high | 81.1 | Confident | 84 Ų | 84 | 60 Ų | 60 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.5 | -65.9 | 162.8 | 0 | 0 | 0 | 110.5 | D10 N16 Y17 L18 M211 | D10-I14 VanDerWaalsContact O-CG1 3.3Å; D10-I14 WeakPolarHBondContact O-CG1 3.21Å; D10-I14 PolarHBondContact O-N 3.13Å; I14-N16 VanDerWaalsContact C-N 3.25Å; I14-N16 PolarHBondContact O-N 3.37Å; I14-Y17 WeakPolarHBondContact O-CB 3.42Å; I14-Y17 PolarHBondContact O-N 3.01Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.28Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.78Å; I14-M211 HydrophobicContact CB-SD 4.13Å; I14-M211 HydrophobicContact CG2-CG 4.32Å; I14-M211 HydrophobicContact CG2-SD 3.72Å |
| 15 | A | 93.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -22.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V11 V12 N13 L19 M211 L214 | V11-A15 VanDerWaalsContact O-CB 3.26Å; V11-A15 WeakPolarHBondContact O-CB 3.5Å; V11-A15 PolarHBondContact O-N 3.22Å; V12-A15 PolarHBondContact O-N 3.4Å; N13-A15 PolarHBondContact O-N 2.93Å; A15-L19 VanDerWaalsContact O-CB 3.25Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.06Å; A15-M211 HydrophobicContact CB-CB 4.33Å; A15-L214 HydrophobicContact CB-CD1 4.04Å; A15-L214 WeakPolarHBondContact O-CD1 3.44Å |
| 16 | N | 93.3 | Very high | 85.9 | Confident | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -79.7 | -38.9 | 170.7 | -68.2 | -26.4 | 0 | 0 | 0 | 111.8 | V12 N13 I14 L19 N20 R125 | V12-N16 WeakPolarHBondContact O-CB 3.47Å; V12-N16 PolarHBondContact O-N 3.22Å; V12-N16 PolarHBondContact O-ND2 3.21Å; V12-N16 VanDerWaalsContact O-ND2 3.1Å; V12-N16 PolarHBondContact O-OD1 3.39Å; N13-N16 WeakPolarHBondContact O-CB 3.41Å; N13-N16 PolarHBondContact O-N 3.17Å; N13-N16 VanDerWaalsContact O-N 3.11Å; I14-N16 VanDerWaalsContact C-N 3.25Å; I14-N16 PolarHBondContact O-N 3.37Å; N16-L19 PolarHBondContact O-N 3.07Å; N16-N20 PolarHBondContact O-N 3.08Å; N16-N20 VanDerWaalsContact O-N 3.15Å; N16-N20 PolarHBondContact O-ND2 3.14Å; N16-R125 PolarHBondContact OD1-NH1 2.86Å; N16-R125 PolarHBondContact OD1-NH2 3.2Å |
| 17 | Y | 94.7 | Very high | 88.3 | Confident | 142 Ų | 142 | 59.2 Ų | 59.2 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.3 | -57.2 | 176.3 | 178.8 | -86 | 0 | 0 | 0 | 110.8 | N13 I14 L19 N20 D21 | N13-Y17 WeakPolarHBondContact O-CB 3.35Å; N13-Y17 PolarHBondContact O-N 3.27Å; I14-Y17 WeakPolarHBondContact O-CB 3.42Å; I14-Y17 PolarHBondContact O-N 3.01Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; Y17-L19 PolarHBondContact O-N 2.88Å; Y17-N20 WeakPolarHBondContact O-CA 3.45Å; Y17-N20 WeakPolarHBondContact O-CB 3.49Å; Y17-N20 PolarHBondContact O-N 2.7Å; Y17-D21 WeakPolarHBondContact CE1-OD2 3.35Å; Y17-D21 PolarHBondContact O-N 2.92Å; Y17-D21 PolarHBondContact OH-OD2 3.3Å |
| 18 | L | 95.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.5 | -40 | 176.7 | -67.1 | 168.8 | 0 | 0 | 0 | 112.4 | I14 N20 D21 L22 M211 L214 L215 | I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.28Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.78Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 2.88Å; L18-D21 PolarHBondContact O-N 2.99Å; L18-L22 VanDerWaalsContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CD1 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.02Å; L18-M211 HydrophobicContact CD1-CG 4.29Å; L18-L214 HydrophobicContact CB-CB 4.49Å; L18-L215 HydrophobicContact CD1-CD2 3.64Å; L18-L215 HydrophobicContact CD1-CG 3.83Å; L18-L215 HydrophobicContact CD2-CD2 4Å; L18-L215 HydrophobicContact CG-CD2 4.49Å |
| 19 | L | 95.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.9 | -28.8 | 177.9 | 177 | 60.7 | 0 | 0 | 0 | 113.1 | A15 N16 Y17 K23 L118 E122 R125 L214 | A15-L19 VanDerWaalsContact O-CB 3.25Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.06Å; N16-L19 PolarHBondContact O-N 3.07Å; Y17-L19 PolarHBondContact O-N 2.88Å; L19-K23 WeakPolarHBondContact O-CD 3.35Å; L19-K23 VanDerWaalsContact O-CG 3.23Å; L19-K23 WeakPolarHBondContact O-CG 3.49Å; L19-K23 PolarHBondContact O-N 3.39Å; L19-L118 HydrophobicContact CD1-CD1 3.79Å; L19-L118 HydrophobicContact CD1-CD2 4.13Å; L19-L118 HydrophobicContact CD1-CG 3.79Å; L19-E122 HydrophobicContact CD1-CB 4.09Å; L19-E122 HydrophobicContact CD2-CB 4.27Å; L19-E122 HydrophobicContact CD2-CG 3.95Å; L19-R125 VanDerWaalsContact CD2-NH2 3.31Å; L19-L214 HydrophobicContact CB-CD1 4.46Å; L19-L214 HydrophobicContact CD1-CD2 4.4Å |
| 20 | N | 95.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -79.3 | -43.2 | 174.4 | -71 | -22.6 | 0 | 0 | 0 | 111 | N16 Y17 L18 L22 K23 N24 | N16-N20 PolarHBondContact O-N 3.08Å; N16-N20 VanDerWaalsContact O-N 3.15Å; N16-N20 PolarHBondContact O-ND2 3.14Å; Y17-N20 WeakPolarHBondContact O-CA 3.45Å; Y17-N20 WeakPolarHBondContact O-CB 3.49Å; Y17-N20 PolarHBondContact O-N 2.7Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 2.88Å; N20-L22 VanDerWaalsContact C-N 3.35Å; N20-L22 PolarHBondContact O-N 3.44Å; N20-K23 CarbonylContact O-C 3.57Å; N20-K23 WeakPolarHBondContact O-CA 3.46Å; N20-K23 WeakPolarHBondContact O-CB 3.32Å; N20-K23 PolarHBondContact O-N 2.95Å; N20-N24 PolarHBondContact O-N 3.38Å; N20-N24 PolarHBondContact O-ND2 3.13Å |
| 21 | D | 96.5 | Very high | 94.5 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.5 | -76.4 | 16.8 | 0 | 0 | 0 | 111.4 | Y17 L18 K23 N24 S25 | Y17-D21 WeakPolarHBondContact CE1-OD2 3.35Å; Y17-D21 PolarHBondContact O-N 2.92Å; Y17-D21 PolarHBondContact OH-OD2 3.3Å; L18-D21 PolarHBondContact O-N 2.99Å; D21-K23 PolarHBondContact O-N 3.04Å; D21-N24 PolarHBondContact O-N 3.24Å; D21-S25 VanDerWaalsContact O-CB 3.32Å; D21-S25 WeakPolarHBondContact O-CB 3.18Å; D21-S25 PolarHBondContact O-N 3.44Å; D21-S25 PolarHBondContact O-OG 3.08Å; D21-S25 VanDerWaalsContact O-OG 3.07Å |
| 22 | L | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -14.5 | 172.3 | -68.2 | 170.6 | 0 | 0 | 0 | 114.1 | L18 N20 S25 Y26 L118 L214 E217 E218 R221 | L18-L22 VanDerWaalsContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CD1 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.02Å; N20-L22 VanDerWaalsContact C-N 3.35Å; N20-L22 PolarHBondContact O-N 3.44Å; L22-S25 PolarHBondContact O-OG 3.47Å; L22-Y26 WeakPolarHBondContact O-CE2 3.43Å; L22-Y26 PolarHBondContact O-OH 2.92Å; L22-L118 HydrophobicContact CB-CD1 3.91Å; L22-L118 HydrophobicContact CB-CD2 3.61Å; L22-L118 HydrophobicContact CB-CG 4.44Å; L22-L118 HydrophobicContact CD1-CD1 3.88Å; L22-L118 WeakPolarHBondContact O-CD2 3.35Å; L22-L214 HydrophobicContact CD1-CD2 4.31Å; L22-E217 HydrophobicContact CD1-CG 4.48Å; L22-E218 HydrophobicContact CD1-CB 4.28Å; L22-E218 HydrophobicContact CD2-CB 3.78Å; L22-E218 HydrophobicContact CD2-CG 4.04Å; L22-E218 HydrophobicContact CG-CB 4.48Å; L22-R221 PolarHBondContact O-NH1 2.94Å |
| 23 | K | 96.2 | Very high | 95.3 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -91.1 | -40.1 | 168.9 | -72.9 | 167.9 | -176.3 | 175.9 | 0 | 112.5 | L19 N20 D21 Y26 L118 E122 | L19-K23 WeakPolarHBondContact O-CD 3.35Å; L19-K23 VanDerWaalsContact O-CG 3.23Å; L19-K23 WeakPolarHBondContact O-CG 3.49Å; L19-K23 PolarHBondContact O-N 3.39Å; N20-K23 CarbonylContact O-C 3.57Å; N20-K23 WeakPolarHBondContact O-CA 3.46Å; N20-K23 WeakPolarHBondContact O-CB 3.32Å; N20-K23 PolarHBondContact O-N 2.95Å; D21-K23 PolarHBondContact O-N 3.04Å; K23-Y26 WeakPolarHBondContact O-CD2 3.38Å; K23-L118 HydrophobicContact CG-CD2 3.72Å; K23-E122 WeakPolarHBondContact CE-OE2 3.26Å; K23-E122 IonicContact NZ-OE1 2.67Å; K23-E122 PolarHBondContact NZ-OE1 3.02Å; K23-E122 IonicContact NZ-OE2 3.83Å; K23-E122 PolarHBondContact NZ-OE2 3.32Å |
| 24 | N | 94.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | -179.4 | -64.7 | -22.7 | 0 | 0 | 0 | 111.2 | N20 D21 Y26 Q27 | N20-N24 PolarHBondContact O-N 3.38Å; N20-N24 PolarHBondContact O-ND2 3.13Å; D21-N24 PolarHBondContact O-N 3.24Å; N24-Y26 PolarHBondContact O-N 2.89Å; N24-Q27 PolarHBondContact O-N 3.06Å |
| 25 | S | 95.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.4 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | D21 L22 Q27 I28 W29 | D21-S25 VanDerWaalsContact O-CB 3.32Å; D21-S25 WeakPolarHBondContact O-CB 3.18Å; D21-S25 PolarHBondContact O-N 3.44Å; D21-S25 PolarHBondContact O-OG 3.08Å; D21-S25 VanDerWaalsContact O-OG 3.07Å; L22-S25 PolarHBondContact O-OG 3.47Å; S25-Q27 PolarHBondContact O-N 3.42Å; S25-I28 WeakPolarHBondContact O-CB 3.49Å; S25-I28 PolarHBondContact O-N 2.94Å; S25-W29 PolarHBondContact O-N 2.83Å; S25-W29 VanDerWaalsContact O-N 3.1Å |
| 26 | Y | 95.2 | Very high | 95.9 | Very high | 31 Ų | 31 | 61 Ų | 61 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -36.1 | 177.5 | -61.2 | -47.3 | 0 | 0 | 0 | 112.5 | L22 K23 N24 I28 W29 E30 V111 W114 K115 L118 R221 | L22-Y26 WeakPolarHBondContact O-CE2 3.43Å; L22-Y26 PolarHBondContact O-OH 2.92Å; K23-Y26 WeakPolarHBondContact O-CD2 3.38Å; N24-Y26 PolarHBondContact O-N 2.89Å; Y26-I28 VanDerWaalsContact C-N 3.29Å; Y26-I28 PolarHBondContact O-N 3.38Å; Y26-W29 PolarHBondContact O-N 3.45Å; Y26-E30 WeakPolarHBondContact O-CB 3.42Å; Y26-E30 WeakPolarHBondContact O-CG 3.19Å; Y26-E30 PolarHBondContact O-N 2.9Å; Y26-V111 HydrophobicContact CD1-CG1 4.36Å; Y26-W114 HydrophobicContact CE1-CB 4.02Å; Y26-W114 PolarHBondContact OH-O 3.13Å; Y26-K115 HydrophobicContact CD1-CG 3.91Å; Y26-K115 HydrophobicContact CD2-CG 4Å; Y26-K115 HydrophobicContact CE1-CG 3.76Å; Y26-K115 HydrophobicContact CE2-CG 3.85Å; Y26-K115 HydrophobicContact CG-CG 4.07Å; Y26-K115 WeakPolarHBondContact OH-CA 3.42Å; Y26-L118 HydrophobicContact CE2-CD2 4.46Å; Y26-L118 WeakPolarHBondContact OH-CB 3.47Å; Y26-L118 VanDerWaalsContact OH-CD2 3.26Å; Y26-L118 WeakPolarHBondContact OH-CD2 3.44Å; Y26-R221 PolarHBondContact OH-NH2 3.28Å |
| 27 | Q | 94.6 | Very high | 96.1 | Very high | 160 Ų | 160 | 61.3 Ų | 61.3 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 177.7 | -67.1 | -175.1 | -35 | 0 | 0 | 112.1 | N24 S25 E31 | N24-Q27 PolarHBondContact O-N 3.06Å; S25-Q27 PolarHBondContact O-N 3.42Å; Q27-E31 WeakPolarHBondContact O-CB 3.25Å; Q27-E31 PolarHBondContact O-N 3.22Å |
| 28 | I | 96.5 | Very high | 96.2 | Very high | 121 Ų | 121 | 59.7 Ų | 59.7 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.8 | -43.3 | 179.1 | -53.6 | 174.8 | 0 | 0 | 0 | 110.3 | S25 Y26 E31 L32 | S25-I28 WeakPolarHBondContact O-CB 3.49Å; S25-I28 PolarHBondContact O-N 2.94Å; Y26-I28 VanDerWaalsContact C-N 3.29Å; Y26-I28 PolarHBondContact O-N 3.38Å; I28-E31 PolarHBondContact O-N 3.17Å; I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.03Å |
| 29 | W | 97.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.8 | -66.2 | 114.2 | 0 | 0 | 0 | 112.6 | S25 Y26 L32 I33 L107 V111 W114 R221 F222 F225 | S25-W29 PolarHBondContact O-N 2.83Å; S25-W29 VanDerWaalsContact O-N 3.1Å; Y26-W29 PolarHBondContact O-N 3.45Å; W29-L32 HydrophobicContact CE3-CD2 3.97Å; W29-L32 HydrophobicContact CZ3-CD2 3.99Å; W29-L32 PolarHBondContact O-N 3.09Å; W29-I33 WeakPolarHBondContact O-CD1 3.2Å; W29-I33 VanDerWaalsContact O-CG1 3.28Å; W29-I33 WeakPolarHBondContact O-CG1 3.47Å; W29-I33 PolarHBondContact O-N 3.38Å; W29-L107 HydrophobicContact CE3-CD2 4.21Å; W29-L107 HydrophobicContact CZ3-CD2 4.22Å; W29-V111 HydrophobicContact CB-CG2 3.66Å; W29-V111 HydrophobicContact CG-CG2 4.23Å; W29-W114 AromaticContact CD2-CZ3 3.88Å; W29-W114 HydrophobicContact CD2-CZ3 3.88Å; W29-W114 AromaticContact CE2-CZ3 3.97Å; W29-W114 HydrophobicContact CE3-CZ3 4.31Å; W29-W114 HydrophobicContact CG-CZ3 4.1Å; W29-W114 HydrophobicContact CZ2-CZ3 4.5Å; W29-R221 HydrophobicContact CZ2-CB 4.39Å; W29-F222 HydrophobicContact CH2-CD1 4.2Å; W29-F222 HydrophobicContact CH2-CE1 4.36Å; W29-F222 HydrophobicContact CZ2-CD1 4.21Å; W29-F222 HydrophobicContact CZ2-CE1 4.08Å; W29-F225 HydrophobicContact CH2-CB 3.7Å; W29-F225 HydrophobicContact CH2-CD1 4.25Å; W29-F225 AromaticContact CH2-CG 3.93Å; W29-F225 HydrophobicContact CH2-CG 3.93Å; W29-F225 HydrophobicContact CZ3-CB 3.75Å; W29-F225 HydrophobicContact CZ3-CD1 4.35Å; W29-F225 AromaticContact CZ3-CD2 3.95Å; W29-F225 HydrophobicContact CZ3-CD2 3.95Å; W29-F225 AromaticContact CZ3-CG 3.74Å; W29-F225 HydrophobicContact CZ3-CG 3.74Å |
| 30 | E | 96.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 177.5 | -60.5 | -86.3 | -169.3 | 0 | 0 | 111.3 | Y26 S34 V111 K115 | Y26-E30 WeakPolarHBondContact O-CB 3.42Å; Y26-E30 WeakPolarHBondContact O-CG 3.19Å; Y26-E30 PolarHBondContact O-N 2.9Å; E30-S34 PolarHBondContact O-N 3.4Å; E30-S34 VanDerWaalsContact O-N 3.08Å; E30-V111 HydrophobicContact CG-CG1 4.44Å; E30-K115 IonicContact OE1-NZ 2.63Å; E30-K115 PolarHBondContact OE1-NZ 3.35Å |
| 31 | E | 96.7 | Very high | 96.4 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -45 | 172.2 | -178.9 | 164.7 | -166 | 0 | 0 | 111.8 | Q27 I28 I33 S34 K35 | Q27-E31 WeakPolarHBondContact O-CB 3.25Å; Q27-E31 PolarHBondContact O-N 3.22Å; I28-E31 PolarHBondContact O-N 3.17Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.81Å; E31-S34 CarbonylContact O-C 3.55Å; E31-S34 WeakPolarHBondContact O-CA 3.38Å; E31-S34 WeakPolarHBondContact O-CB 3.38Å; E31-S34 PolarHBondContact O-N 3.29Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-K35 HydrophobicContact CG-CG 3.97Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.41Å; E31-K35 PolarHBondContact O-N 3.34Å; E31-K35 WeakPolarHBondContact OE1-CE 3.45Å; E31-K35 IonicContact OE1-NZ 2.79Å; E31-K35 PolarHBondContact OE1-NZ 3.16Å |
| 32 | L | 96.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.5 | -45 | 177.2 | 178.2 | 63.6 | 0 | 0 | 0 | 111.7 | I28 W29 S34 K35 C36 L107 F225 | I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.03Å; W29-L32 HydrophobicContact CE3-CD2 3.97Å; W29-L32 HydrophobicContact CZ3-CD2 3.99Å; W29-L32 PolarHBondContact O-N 3.09Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 3.18Å; L32-K35 PolarHBondContact O-N 3.42Å; L32-C36 VanDerWaalsContact O-CB 3.25Å; L32-C36 WeakPolarHBondContact O-CB 3.24Å; L32-C36 PolarHBondContact O-N 3.45Å; L32-L107 HydrophobicContact CD2-CD1 4.06Å; L32-F225 HydrophobicContact CD2-CD2 4.2Å; L32-F225 HydrophobicContact CD2-CE2 3.78Å; L32-F225 HydrophobicContact CD2-CZ 4.36Å |
| 33 | I | 97.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.2 | -66.3 | 157.3 | 0 | 0 | 0 | 110.8 | W29 E31 C36 T37 L107 N108 V111 | W29-I33 WeakPolarHBondContact O-CD1 3.2Å; W29-I33 VanDerWaalsContact O-CG1 3.28Å; W29-I33 WeakPolarHBondContact O-CG1 3.47Å; W29-I33 PolarHBondContact O-N 3.38Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.81Å; I33-C36 PolarHBondContact O-N 3.09Å; I33-T37 WeakPolarHBondContact O-CB 3.43Å; I33-T37 PolarHBondContact O-N 3.36Å; I33-T37 PolarHBondContact O-OG1 2.99Å; I33-L107 HydrophobicContact CD1-CB 3.99Å; I33-L107 HydrophobicContact CG1-CB 3.85Å; I33-L107 HydrophobicContact CG1-CD1 4.42Å; I33-N108 HydrophobicContact CD1-CB 4.1Å; I33-N108 HydrophobicContact CG2-CB 4.21Å; I33-V111 HydrophobicContact CD1-CG2 4.16Å |
| 34 | S | 96.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.6 | -167.7 | 0 | 0 | 0 | 0 | 112.7 | E30 E31 L32 T37 K38 | E30-S34 PolarHBondContact O-N 3.4Å; E30-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 CarbonylContact O-C 3.55Å; E31-S34 WeakPolarHBondContact O-CA 3.38Å; E31-S34 WeakPolarHBondContact O-CB 3.38Å; E31-S34 PolarHBondContact O-N 3.29Å; E31-S34 VanDerWaalsContact O-N 3.08Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 3.18Å; S34-T37 PolarHBondContact O-N 2.87Å; S34-K38 WeakPolarHBondContact O-CD 3.48Å; S34-K38 WeakPolarHBondContact O-CG 3.26Å; S34-K38 PolarHBondContact O-N 2.93Å; S34-K38 VanDerWaalsContact O-N 3.13Å; S34-K38 PolarHBondContact OG-NZ 3.25Å |
| 35 | K | 96.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 58.4 Ų | 58.4 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 177.8 | -65.7 | -73 | 178 | 70.8 | 0 | 111 | E31 L32 T37 K38 F39 | E31-K35 HydrophobicContact CG-CG 3.97Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.41Å; E31-K35 PolarHBondContact O-N 3.34Å; E31-K35 WeakPolarHBondContact OE1-CE 3.45Å; E31-K35 IonicContact OE1-NZ 2.79Å; E31-K35 PolarHBondContact OE1-NZ 3.16Å; L32-K35 PolarHBondContact O-N 3.42Å; K35-T37 VanDerWaalsContact C-N 3.34Å; K35-T37 PolarHBondContact O-N 3.19Å; K35-K38 PolarHBondContact O-N 3.04Å; K35-F39 WeakPolarHBondContact O-CB 3.41Å; K35-F39 PolarHBondContact O-N 3.43Å |
| 36 | C | 96.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.3 | -169 | 0 | 0 | 0 | 0 | 112.1 | L32 I33 K38 F39 H40 L99 A104 | L32-C36 VanDerWaalsContact O-CB 3.25Å; L32-C36 WeakPolarHBondContact O-CB 3.24Å; L32-C36 PolarHBondContact O-N 3.45Å; I33-C36 PolarHBondContact O-N 3.09Å; C36-K38 PolarHBondContact O-N 2.9Å; C36-F39 PolarHBondContact O-N 3.44Å; C36-H40 PolarHBondContact O-N 3.02Å; C36-L99 PolarHBondContact SG-O 3.11Å; C36-A104 HydrophobicContact CB-CB 4.37Å |
| 37 | T | 96.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 177.2 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | I33 S34 K35 S41 | I33-T37 WeakPolarHBondContact O-CB 3.43Å; I33-T37 PolarHBondContact O-N 3.36Å; I33-T37 PolarHBondContact O-OG1 2.99Å; S34-T37 PolarHBondContact O-N 2.87Å; K35-T37 VanDerWaalsContact C-N 3.34Å; K35-T37 PolarHBondContact O-N 3.19Å; T37-S41 PolarHBondContact O-N 2.83Å; T37-S41 VanDerWaalsContact O-N 3.15Å; T37-S41 PolarHBondContact O-OG 3.41Å |
| 38 | K | 96.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 55.6 Ų | 55.6 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 174.7 | -71.8 | 160.6 | -179 | 153.6 | 0 | 111.7 | S34 K35 C36 S41 A42 | S34-K38 WeakPolarHBondContact O-CD 3.48Å; S34-K38 WeakPolarHBondContact O-CG 3.26Å; S34-K38 PolarHBondContact O-N 2.93Å; S34-K38 VanDerWaalsContact O-N 3.13Å; S34-K38 PolarHBondContact OG-NZ 3.25Å; K35-K38 PolarHBondContact O-N 3.04Å; C36-K38 PolarHBondContact O-N 2.9Å; K38-S41 WeakPolarHBondContact O-CB 3.43Å; K38-S41 PolarHBondContact O-N 3.21Å; K38-S41 VanDerWaalsContact O-N 3.13Å; K38-A42 PolarHBondContact O-N 3.05Å |
| 39 | F | 97 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 178 | -179.3 | -121.8 | 0 | 0 | 0 | 112.3 | K35 C36 S41 A42 L43 L99 M1269 L1276 | K35-F39 WeakPolarHBondContact O-CB 3.41Å; K35-F39 PolarHBondContact O-N 3.43Å; C36-F39 PolarHBondContact O-N 3.44Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.34Å; F39-L43 HydrophobicContact CD1-CD1 4.03Å; F39-L43 HydrophobicContact CD2-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.62Å; F39-L43 HydrophobicContact CE1-CG 4.29Å; F39-L43 HydrophobicContact CE2-CD1 4.3Å; F39-L43 HydrophobicContact CE2-CD2 4.2Å; F39-L43 HydrophobicContact CE2-CG 4.08Å; F39-L43 HydrophobicContact CZ-CD1 3.77Å; F39-L43 HydrophobicContact CZ-CD2 4.08Å; F39-L43 HydrophobicContact CZ-CG 4.01Å; F39-L43 WeakPolarHBondContact O-CG 3.35Å; F39-L43 PolarHBondContact O-N 2.97Å; F39-L99 HydrophobicContact CD1-CD1 3.61Å; F39-L99 HydrophobicContact CD1-CD2 4.06Å; F39-L99 HydrophobicContact CE1-CD1 3.63Å; F39-L99 HydrophobicContact CE1-CD2 4.33Å; F39-M1269 HydrophobicContact CD1-CE 3.8Å; F39-M1269 HydrophobicContact CE1-CE 3.3Å; F39-M1269 HydrophobicContact CE1-SD 4.44Å; F39-M1269 HydrophobicContact CZ-CE 3.77Å; F39-M1269 HydrophobicContact CZ-SD 4.36Å; F39-L1276 HydrophobicContact CE2-CD1 4.09Å |
| 40 | H | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.1 | -45.1 | 169.1 | 168.8 | 87.7 | 0 | 0 | 0 | 111.9 | C36 A42 L43 K44 G96 V100 | C36-H40 PolarHBondContact O-N 3.02Å; H40-A42 PolarHBondContact O-N 3.45Å; H40-L43 PolarHBondContact O-N 2.72Å; H40-K44 WeakPolarHBondContact O-CB 3.27Å; H40-K44 PolarHBondContact O-N 2.72Å; H40-G96 PolarHBondContact ND1-O 3.44Å; H40-V100 HydrophobicContact CB-CG2 3.77Å; H40-V100 WeakPolarHBondContact ND1-CG2 3.46Å |
| 41 | S | 97 | Very high | 96.5 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 44% | 0.441 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | -180 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | T37 K38 F39 K44 V45 | T37-S41 PolarHBondContact O-N 2.83Å; T37-S41 VanDerWaalsContact O-N 3.15Å; T37-S41 PolarHBondContact O-OG 3.41Å; K38-S41 WeakPolarHBondContact O-CB 3.43Å; K38-S41 PolarHBondContact O-N 3.21Å; K38-S41 VanDerWaalsContact O-N 3.13Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.46Å; S41-K44 PolarHBondContact O-N 3.38Å; S41-V45 PolarHBondContact O-N 3.48Å |
| 42 | A | 96.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K38 F39 H40 K44 V45 A46 L1276 | K38-A42 PolarHBondContact O-N 3.05Å; F39-A42 PolarHBondContact O-N 3.34Å; H40-A42 PolarHBondContact O-N 3.45Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 2.92Å; A42-V45 PolarHBondContact O-N 3.18Å; A42-A46 WeakPolarHBondContact O-CB 3.26Å; A42-A46 PolarHBondContact O-N 3.38Å; A42-L1276 HydrophobicContact CB-CB 4.27Å |
| 43 | L | 96.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 174.6 | -72.4 | 175 | 0 | 0 | 0 | 112.4 | F39 H40 A46 T47 V92 M95 L99 L1276 | F39-L43 HydrophobicContact CD1-CD1 4.03Å; F39-L43 HydrophobicContact CD2-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.62Å; F39-L43 HydrophobicContact CE1-CG 4.29Å; F39-L43 HydrophobicContact CE2-CD1 4.3Å; F39-L43 HydrophobicContact CE2-CD2 4.2Å; F39-L43 HydrophobicContact CE2-CG 4.08Å; F39-L43 HydrophobicContact CZ-CD1 3.77Å; F39-L43 HydrophobicContact CZ-CD2 4.08Å; F39-L43 HydrophobicContact CZ-CG 4.01Å; F39-L43 WeakPolarHBondContact O-CG 3.35Å; F39-L43 PolarHBondContact O-N 2.97Å; H40-L43 PolarHBondContact O-N 2.72Å; L43-A46 PolarHBondContact O-N 3.45Å; L43-T47 WeakPolarHBondContact O-CB 3.44Å; L43-T47 WeakPolarHBondContact O-CG2 3.33Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 2.96Å; L43-V92 HydrophobicContact CD2-CG1 4.14Å; L43-M95 HydrophobicContact CD1-CE 3.82Å; L43-M95 HydrophobicContact CD2-CE 4.3Å; L43-L99 HydrophobicContact CD1-CD1 3.46Å; L43-L99 VanDerWaalsContact CD1-CD1 3.46Å; L43-L1276 HydrophobicContact CD2-CD1 4.03Å |
| 44 | K | 96.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 48.9 Ų | 48.9 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.3 | -174.3 | 171.9 | -178.6 | 172.4 | 0 | 112 | H40 S41 A42 T47 Q48 | H40-K44 WeakPolarHBondContact O-CB 3.27Å; H40-K44 PolarHBondContact O-N 2.72Å; S41-K44 PolarHBondContact O-N 3.38Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 2.92Å; K44-T47 PolarHBondContact O-OG1 3.48Å; K44-T47 VanDerWaalsContact O-OG1 3.14Å; K44-Q48 WeakPolarHBondContact O-CB 3.34Å; K44-Q48 VanDerWaalsContact O-CG 3.25Å; K44-Q48 WeakPolarHBondContact O-CG 3.35Å; K44-Q48 PolarHBondContact O-N 3.15Å; K44-Q48 VanDerWaalsContact O-N 3.11Å; K44-Q48 PolarHBondContact O-OE1 3.39Å |
| 45 | V | 96.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | S41 A42 T47 Q48 A49 A1280 | S41-V45 PolarHBondContact O-N 3.48Å; A42-V45 PolarHBondContact O-N 3.18Å; V45-T47 PolarHBondContact O-N 3.24Å; V45-Q48 PolarHBondContact O-N 2.95Å; V45-A49 PolarHBondContact O-N 3.11Å; V45-A1280 HydrophobicContact CG1-CB 3.91Å |
| 46 | A | 96.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A42 L43 A49 S50 L1276 | A42-A46 WeakPolarHBondContact O-CB 3.26Å; A42-A46 PolarHBondContact O-N 3.38Å; L43-A46 PolarHBondContact O-N 3.45Å; A46-A49 PolarHBondContact O-N 3.06Å; A46-S50 WeakPolarHBondContact O-CB 3.31Å; A46-S50 PolarHBondContact O-N 2.97Å; A46-L1276 HydrophobicContact CB-CD2 3.98Å |
| 47 | T | 96 | Very high | 96.7 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.1 | -32.2 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | L43 K44 V45 S50 S51 E89 V92 K93 | L43-T47 WeakPolarHBondContact O-CB 3.44Å; L43-T47 WeakPolarHBondContact O-CG2 3.33Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 2.96Å; K44-T47 PolarHBondContact O-OG1 3.48Å; K44-T47 VanDerWaalsContact O-OG1 3.14Å; V45-T47 PolarHBondContact O-N 3.24Å; T47-S50 PolarHBondContact O-N 2.82Å; T47-S51 PolarHBondContact O-N 3.38Å; T47-S51 PolarHBondContact O-OG 3.21Å; T47-S51 VanDerWaalsContact O-OG 3.05Å; T47-E89 HydrophobicContact CG2-CG 4.4Å; T47-V92 HydrophobicContact CG2-CB 3.93Å; T47-V92 HydrophobicContact CG2-CG1 3.44Å; T47-V92 VanDerWaalsContact CG2-CG1 3.44Å; T47-K93 HydrophobicContact CG2-CG 3.94Å |
| 48 | Q | 95.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 49.8 Ų | 49.8 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 171 | -74.5 | 176.1 | -44.5 | 0 | 0 | 112.3 | K44 V45 S51 A52 | K44-Q48 WeakPolarHBondContact O-CB 3.34Å; K44-Q48 VanDerWaalsContact O-CG 3.25Å; K44-Q48 WeakPolarHBondContact O-CG 3.35Å; K44-Q48 PolarHBondContact O-N 3.15Å; K44-Q48 VanDerWaalsContact O-N 3.11Å; K44-Q48 PolarHBondContact O-OE1 3.39Å; V45-Q48 PolarHBondContact O-N 2.95Å; Q48-S51 PolarHBondContact O-N 3.08Å; Q48-A52 PolarHBondContact O-N 3.14Å |
| 49 | A | 96.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V45 A46 A52 F53 | V45-A49 PolarHBondContact O-N 3.11Å; A46-A49 PolarHBondContact O-N 3.06Å; A49-A52 PolarHBondContact O-N 3.4Å; A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 2.95Å |
| 50 | S | 95.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 172.4 | 177.5 | 0 | 0 | 0 | 0 | 112 | A46 T47 A52 F53 L54 E89 | A46-S50 WeakPolarHBondContact O-CB 3.31Å; A46-S50 PolarHBondContact O-N 2.97Å; T47-S50 PolarHBondContact O-N 2.82Å; S50-A52 PolarHBondContact O-N 2.62Å; S50-F53 PolarHBondContact O-N 2.82Å; S50-L54 WeakPolarHBondContact O-CB 3.32Å; S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.05Å; S50-E89 WeakPolarHBondContact CB-OE2 3.33Å; S50-E89 PolarHBondContact OG-OE2 3.34Å |
| 51 | S | 96.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 52 Ų | 52 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | -180 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | T47 Q48 F53 L54 D55 E89 K93 | T47-S51 PolarHBondContact O-N 3.38Å; T47-S51 PolarHBondContact O-OG 3.21Å; T47-S51 VanDerWaalsContact O-OG 3.05Å; Q48-S51 PolarHBondContact O-N 3.08Å; S51-F53 PolarHBondContact O-N 3.29Å; S51-L54 PolarHBondContact O-N 3.23Å; S51-D55 VanDerWaalsContact O-CG 3.32Å; S51-D55 PolarHBondContact O-N 2.7Å; S51-E89 WeakPolarHBondContact CA-OE2 3.38Å; S51-E89 PolarHBondContact N-OE2 3.43Å; S51-E89 PolarHBondContact OG-OE1 3Å; S51-K93 PolarHBondContact OG-NZ 3Å; S51-K93 VanDerWaalsContact OG-NZ 3.11Å |
| 52 | A | 97.4 | Very high | 96.7 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -34 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q48 A49 S50 T56 | Q48-A52 PolarHBondContact O-N 3.14Å; A49-A52 PolarHBondContact O-N 3.4Å; S50-A52 PolarHBondContact O-N 2.62Å; A52-T56 PolarHBondContact O-N 3Å; A52-T56 PolarHBondContact O-OG1 2.98Å |
| 53 | F | 98 | Very high | 96.6 | Very high | 92 Ų | 92 | 57.2 Ų | 57.2 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -49 | 170.2 | 169.7 | -97.7 | 0 | 0 | 0 | 111 | A49 S50 S51 D55 T56 F57 | A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 2.95Å; S50-F53 PolarHBondContact O-N 2.82Å; S51-F53 PolarHBondContact O-N 3.29Å; F53-D55 PolarHBondContact O-N 3.43Å; F53-T56 CarbonylContact O-C 3.54Å; F53-T56 WeakPolarHBondContact O-CA 3.45Å; F53-T56 WeakPolarHBondContact O-CB 3.4Å; F53-T56 PolarHBondContact O-N 3.41Å; F53-F57 HydrophobicContact CE1-CB 4.48Å; F53-F57 AromaticContact CE1-CD2 3.98Å; F53-F57 HydrophobicContact CE1-CD2 3.98Å; F53-F57 AromaticContact CZ-CD2 3.77Å; F53-F57 HydrophobicContact CZ-CD2 3.77Å; F53-F57 HydrophobicContact CZ-CE2 4.45Å; F53-F57 PolarHBondContact O-N 3.47Å |
| 54 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -34.4 | -177.8 | -71.5 | 173.6 | 0 | 0 | 0 | 113.2 | S50 S51 T56 F57 Q58 Q85 K86 | S50-L54 WeakPolarHBondContact O-CB 3.32Å; S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.05Å; S51-L54 PolarHBondContact O-N 3.23Å; L54-T56 PolarHBondContact O-N 2.92Å; L54-F57 PolarHBondContact O-N 2.92Å; L54-Q58 PolarHBondContact O-N 3.31Å; L54-Q85 HydrophobicContact CD1-CB 4.06Å; L54-Q85 HydrophobicContact CD1-CG 4Å; L54-Q85 HydrophobicContact CD2-CB 3.89Å; L54-Q85 HydrophobicContact CD2-CG 4.07Å; L54-K86 HydrophobicContact CB-CG 4.27Å; L54-K86 HydrophobicContact CD1-CG 3.67Å |
| 55 | D | 97.5 | Very high | 96.2 | Very high | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71 | -11.4 | 172.2 | -66.1 | -25.7 | 0 | 0 | 0 | 113.4 | S51 F53 K59 K86 | S51-D55 VanDerWaalsContact O-CG 3.32Å; S51-D55 PolarHBondContact O-N 2.7Å; F53-D55 PolarHBondContact O-N 3.43Å; D55-K59 WeakPolarHBondContact O-CD 3.34Å; D55-K59 WeakPolarHBondContact O-CE 3.45Å; D55-K59 PolarHBondContact O-NZ 3.04Å; D55-K86 IonicContact OD1-NZ 3.24Å; D55-K86 PolarHBondContact OD1-NZ 3.03Å |
| 56 | T | 97.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -96.3 | -39.8 | 170 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | A52 F53 L54 Q58 K59 V60 | A52-T56 PolarHBondContact O-N 3Å; A52-T56 PolarHBondContact O-OG1 2.98Å; F53-T56 CarbonylContact O-C 3.54Å; F53-T56 WeakPolarHBondContact O-CA 3.45Å; F53-T56 WeakPolarHBondContact O-CB 3.4Å; F53-T56 PolarHBondContact O-N 3.41Å; L54-T56 PolarHBondContact O-N 2.92Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.17Å; T56-K59 WeakPolarHBondContact O-CB 3.05Å; T56-K59 PolarHBondContact O-N 3.21Å; T56-V60 PolarHBondContact O-N 3.06Å |
| 57 | F | 97.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 18% | 0.18 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 173.3 | -167.1 | -79.9 | 0 | 0 | 0 | 111.8 | F53 L54 K59 V60 A61 L78 Y81 C82 | F53-F57 HydrophobicContact CE1-CB 4.48Å; F53-F57 AromaticContact CE1-CD2 3.98Å; F53-F57 HydrophobicContact CE1-CD2 3.98Å; F53-F57 AromaticContact CZ-CD2 3.77Å; F53-F57 HydrophobicContact CZ-CD2 3.77Å; F53-F57 HydrophobicContact CZ-CE2 4.45Å; F53-F57 PolarHBondContact O-N 3.47Å; L54-F57 PolarHBondContact O-N 2.92Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 2.9Å; F57-V60 WeakPolarHBondContact O-CB 3.18Å; F57-V60 PolarHBondContact O-N 3.23Å; F57-V60 VanDerWaalsContact O-N 3.08Å; F57-A61 PolarHBondContact O-N 3.48Å; F57-L78 HydrophobicContact CE1-CB 4.15Å; F57-L78 HydrophobicContact CE1-CD2 4.07Å; F57-L78 HydrophobicContact CZ-CD2 3.77Å; F57-Y81 HydrophobicContact CE1-CD1 4.18Å; F57-Y81 AromaticContact CZ-CD1 3.91Å; F57-Y81 HydrophobicContact CZ-CD1 3.91Å; F57-Y81 HydrophobicContact CZ-CE1 4.38Å; F57-C82 HydrophobicContact CD1-CB 3.92Å; F57-C82 HydrophobicContact CE1-CB 4.27Å |
| 58 | Q | 97.2 | Very high | 94.6 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 15% | 0.15 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.3 | -38 | 176.9 | -171.1 | 55.8 | 48.2 | 0 | 0 | 112 | L54 T56 V60 A61 D62 T79 C82 | L54-Q58 PolarHBondContact O-N 3.31Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.17Å; Q58-V60 VanDerWaalsContact C-N 3.26Å; Q58-V60 PolarHBondContact O-N 3.15Å; Q58-A61 CarbonylContact O-C 3.58Å; Q58-A61 WeakPolarHBondContact O-CB 3.16Å; Q58-A61 PolarHBondContact O-N 2.85Å; Q58-A61 VanDerWaalsContact O-N 3.12Å; Q58-D62 PolarHBondContact NE2-OD1 3.3Å; Q58-D62 WeakPolarHBondContact O-CB 3.14Å; Q58-D62 PolarHBondContact O-N 2.93Å; Q58-T79 PolarHBondContact NE2-OG1 3.26Å; Q58-C82 PolarHBondContact OE1-SG 3.16Å; Q58-C82 VanDerWaalsContact OE1-SG 3.33Å |
| 59 | K | 97.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 63.4 Ų | 63.4 | 53% | 0.526 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -31.8 | 177 | -64.4 | 165.5 | -172.6 | 142.8 | 0 | 112.3 | D55 T56 F57 L63 | D55-K59 WeakPolarHBondContact O-CD 3.34Å; D55-K59 WeakPolarHBondContact O-CE 3.45Å; D55-K59 PolarHBondContact O-NZ 3.04Å; T56-K59 WeakPolarHBondContact O-CB 3.05Å; T56-K59 PolarHBondContact O-N 3.21Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 2.9Å; K59-L63 WeakPolarHBondContact O-CB 3.4Å; K59-L63 WeakPolarHBondContact O-CD1 3.18Å; K59-L63 VanDerWaalsContact O-CG 3.27Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.25Å |
| 60 | V | 96.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | T56 F57 Q58 L63 A64 | T56-V60 PolarHBondContact O-N 3.06Å; F57-V60 WeakPolarHBondContact O-CB 3.18Å; F57-V60 PolarHBondContact O-N 3.23Å; F57-V60 VanDerWaalsContact O-N 3.08Å; Q58-V60 VanDerWaalsContact C-N 3.26Å; Q58-V60 PolarHBondContact O-N 3.15Å; V60-L63 PolarHBondContact O-N 3.3Å; V60-A64 PolarHBondContact O-N 3.4Å |
| 61 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F57 Q58 A64 T65 L78 T79 | F57-A61 PolarHBondContact O-N 3.48Å; Q58-A61 CarbonylContact O-C 3.58Å; Q58-A61 WeakPolarHBondContact O-CB 3.16Å; Q58-A61 PolarHBondContact O-N 2.85Å; Q58-A61 VanDerWaalsContact O-N 3.12Å; A61-A64 PolarHBondContact O-N 3.22Å; A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.38Å; A61-L78 HydrophobicContact CB-CB 3.65Å; A61-T79 WeakPolarHBondContact CB-OG1 3.47Å |
| 62 | D | 95.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.1 | -63.3 | -21.7 | 0 | 0 | 0 | 111.8 | Q58 K66 | Q58-D62 PolarHBondContact NE2-OD1 3.3Å; Q58-D62 WeakPolarHBondContact O-CB 3.14Å; Q58-D62 PolarHBondContact O-N 2.93Å; D62-K66 VanDerWaalsContact O-CD 3.28Å; D62-K66 WeakPolarHBondContact O-CD 3.4Å; D62-K66 WeakPolarHBondContact O-CG 3.35Å; D62-K66 PolarHBondContact O-N 3.11Å |
| 63 | L | 94.6 | Very high | 90.9 | Very high | 119 Ų | 119 | 66.8 Ų | 66.8 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.5 | -49.9 | 174.5 | -83.7 | 164.7 | 0 | 0 | 0 | 111 | K59 V60 T65 K66 T67 | K59-L63 WeakPolarHBondContact O-CB 3.4Å; K59-L63 WeakPolarHBondContact O-CD1 3.18Å; K59-L63 VanDerWaalsContact O-CG 3.27Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.25Å; V60-L63 PolarHBondContact O-N 3.3Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.28Å; L63-K66 PolarHBondContact O-N 2.7Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-T67 PolarHBondContact O-N 3.12Å |
| 64 | A | 93.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V60 A61 K66 T67 S71 | V60-A64 PolarHBondContact O-N 3.4Å; A61-A64 PolarHBondContact O-N 3.22Å; A64-K66 PolarHBondContact O-N 2.94Å; A64-T67 WeakPolarHBondContact O-CB 2.9Å; A64-T67 WeakPolarHBondContact O-CG2 3.43Å; A64-T67 PolarHBondContact O-N 3.36Å; A64-T67 PolarHBondContact O-OG1 3.07Å; A64-S71 CarbonylContact C-O 3.56Å |
| 65 | T | 92.3 | Very high | 90.6 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -25.7 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | A61 L63 G75 | A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.38Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.28Å; T65-G75 WeakPolarHBondContact OG1-CA 3.36Å; T65-G75 PolarHBondContact OG1-O 3.23Å |
| 66 | K | 90 | Very high | 90.4 | Very high | 164 Ų | 164 | 62.4 Ų | 62.4 | 71% | 0.713 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.1 | 178.3 | -70.3 | 164.2 | -169.9 | 171 | 0 | 113.8 | D62 L63 A64 | D62-K66 VanDerWaalsContact O-CD 3.28Å; D62-K66 WeakPolarHBondContact O-CD 3.4Å; D62-K66 WeakPolarHBondContact O-CG 3.35Å; D62-K66 PolarHBondContact O-N 3.11Å; L63-K66 PolarHBondContact O-N 2.7Å; L63-K66 VanDerWaalsContact O-N 3.12Å; A64-K66 PolarHBondContact O-N 2.94Å |
| 67 | T | 86.7 | Confident | 90.2 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -73.2 | 159.8 | 178.8 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | L63 A64 S71 K72 | L63-T67 PolarHBondContact O-N 3.12Å; A64-T67 WeakPolarHBondContact O-CB 2.9Å; A64-T67 WeakPolarHBondContact O-CG2 3.43Å; A64-T67 PolarHBondContact O-N 3.36Å; A64-T67 PolarHBondContact O-OG1 3.07Å; T67-S71 WeakPolarHBondContact OG1-CB 3.39Å; T67-K72 WeakPolarHBondContact O-CE 3.47Å | ||
| 68 | L | 76.8 | Confident | 90.2 | Very high | 142 Ų | 142 | 58 Ų | 58 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -99.1 | -12.2 | 172.1 | -65 | 175.8 | 0 | 0 | 0 | 113.3 | G70 | L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 2.86Å |
| 69 | G | 72.2 | Confident | 90.2 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -89.8 | 37.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S71 | G69-S71 PolarHBondContact O-N 2.94Å; G69-S71 PolarHBondContact O-OG 3.07Å |
| 70 | G | 71.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 70.7 | 9.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L68 K72 E73 V267 | L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 2.86Å; G70-K72 VanDerWaalsContact C-N 3.29Å; G70-K72 PolarHBondContact O-N 2.86Å; G70-E73 VanDerWaalsContact O-OE2 3.14Å; G70-V267 VanDerWaalsContact N-CG2 3.32Å |
| 71 | S | 84.6 | Confident | 90.1 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -90.3 | 14.4 | 178.3 | -28.8 | 0 | 0 | 0 | 0 | 113.1 | A64 T67 G69 G75 | A64-S71 CarbonylContact C-O 3.56Å; T67-S71 WeakPolarHBondContact OG1-CB 3.39Å; G69-S71 PolarHBondContact O-N 2.94Å; G69-S71 PolarHBondContact O-OG 3.07Å; S71-G75 PolarHBondContact O-N 3.29Å | ||
| 72 | K | 88.7 | Confident | 90.2 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 39% | 0.391 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75 | -36.6 | -177 | -58.8 | 176.1 | -177.6 | 166.4 | 0 | 111.1 | T67 G70 G75 A76 | T67-K72 WeakPolarHBondContact O-CE 3.47Å; G70-K72 VanDerWaalsContact C-N 3.29Å; G70-K72 PolarHBondContact O-N 2.86Å; K72-G75 PolarHBondContact O-N 2.84Å; K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 3.34Å |
| 73 | E | 89 | Confident | 90.2 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 179 | -66 | 56.5 | -128.1 | 0 | 0 | 109.1 | G70 A76 C77 | G70-E73 VanDerWaalsContact O-OE2 3.14Å; E73-A76 PolarHBondContact O-N 3.4Å; E73-C77 WeakPolarHBondContact O-CB 3.43Å; E73-C77 PolarHBondContact O-N 2.9Å |
| 74 | I | 93.2 | Very high | 90.2 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 168.4 | -59.3 | 174.1 | 0 | 0 | 0 | 110.5 | A76 C77 L78 L253 E256 T257 | I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 2.82Å; I74-C77 PolarHBondContact O-N 3.36Å; I74-C77 VanDerWaalsContact O-N 3.1Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.35Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 2.71Å; I74-L253 HydrophobicContact CG2-CD1 3.97Å; I74-E256 HydrophobicContact CG1-CB 4.01Å; I74-T257 HydrophobicContact CD1-CG2 4.25Å |
| 75 | G | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | T65 S71 K72 T79 | T65-G75 WeakPolarHBondContact OG1-CA 3.36Å; T65-G75 PolarHBondContact OG1-O 3.23Å; S71-G75 PolarHBondContact O-N 3.29Å; K72-G75 PolarHBondContact O-N 2.84Å; G75-T79 WeakPolarHBondContact O-CB 3.38Å; G75-T79 PolarHBondContact O-N 3.39Å; G75-T79 PolarHBondContact O-OG1 3.2Å |
| 76 | A | 93.3 | Very high | 90.5 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K72 E73 I74 T79 R80 | K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 3.34Å; E73-A76 PolarHBondContact O-N 3.4Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 2.82Å; A76-T79 PolarHBondContact O-N 2.99Å; A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 3.48Å |
| 77 | C | 95.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 175 | -157.6 | 0 | 0 | 0 | 0 | 112 | E73 I74 T79 R80 Y81 L253 | E73-C77 WeakPolarHBondContact O-CB 3.43Å; E73-C77 PolarHBondContact O-N 2.9Å; I74-C77 PolarHBondContact O-N 3.36Å; I74-C77 VanDerWaalsContact O-N 3.1Å; C77-T79 VanDerWaalsContact C-N 3.29Å; C77-T79 PolarHBondContact O-N 3.12Å; C77-R80 PolarHBondContact O-N 2.8Å; C77-R80 PolarHBondContact SG-NH2 3.22Å; C77-R80 VanDerWaalsContact SG-NH2 3.39Å; C77-Y81 WeakPolarHBondContact O-CB 3.28Å; C77-Y81 PolarHBondContact O-N 3Å; C77-L253 HydrophobicContact CB-CD1 4.46Å |
| 78 | L | 96.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 173.4 | -68.4 | 172.2 | 0 | 0 | 0 | 111.8 | F57 A61 I74 Y81 C82 L253 | F57-L78 HydrophobicContact CE1-CB 4.15Å; F57-L78 HydrophobicContact CE1-CD2 4.07Å; F57-L78 HydrophobicContact CZ-CD2 3.77Å; A61-L78 HydrophobicContact CB-CB 3.65Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.35Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 2.71Å; L78-Y81 PolarHBondContact O-N 3.1Å; L78-C82 WeakPolarHBondContact O-CB 3.49Å; L78-C82 PolarHBondContact O-N 2.86Å; L78-L253 HydrophobicContact CD2-CD1 4.31Å; L78-L253 HydrophobicContact CD2-CD2 3.88Å; L78-L253 HydrophobicContact CG-CD1 4.4Å |
| 79 | T | 96.9 | Very high | 92 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 173.8 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | Q58 A61 G75 A76 C77 Y81 C82 M83 | Q58-T79 PolarHBondContact NE2-OG1 3.26Å; A61-T79 WeakPolarHBondContact CB-OG1 3.47Å; G75-T79 WeakPolarHBondContact O-CB 3.38Å; G75-T79 PolarHBondContact O-N 3.39Å; G75-T79 PolarHBondContact O-OG1 3.2Å; A76-T79 PolarHBondContact O-N 2.99Å; C77-T79 VanDerWaalsContact C-N 3.29Å; C77-T79 PolarHBondContact O-N 3.12Å; T79-Y81 VanDerWaalsContact C-N 3.32Å; T79-Y81 PolarHBondContact O-N 2.88Å; T79-C82 PolarHBondContact O-N 3.47Å; T79-M83 WeakPolarHBondContact O-CG 3.27Å; T79-M83 PolarHBondContact O-N 2.72Å |
| 80 | R | 96.2 | Very high | 93.1 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 173.5 | -69.7 | -173.6 | -59 | -94.9 | 7.1 | 111.6 | A76 C77 M83 R84 L249 | A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 3.48Å; C77-R80 PolarHBondContact O-N 2.8Å; C77-R80 PolarHBondContact SG-NH2 3.22Å; C77-R80 VanDerWaalsContact SG-NH2 3.39Å; R80-M83 PolarHBondContact O-N 3.17Å; R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 2.87Å; R80-L249 HydrophobicContact CB-CD1 4.01Å; R80-L249 HydrophobicContact CB-CD2 3.83Å |
| 81 | Y | 96.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 46 Ų | 46 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.9 | -173.1 | -90.2 | 0 | 0 | 0 | 112.2 | F57 C77 L78 T79 M83 R84 Q85 M246 L249 I250 L1375 | F57-Y81 HydrophobicContact CE1-CD1 4.18Å; F57-Y81 AromaticContact CZ-CD1 3.91Å; F57-Y81 HydrophobicContact CZ-CD1 3.91Å; F57-Y81 HydrophobicContact CZ-CE1 4.38Å; C77-Y81 WeakPolarHBondContact O-CB 3.28Å; C77-Y81 PolarHBondContact O-N 3Å; L78-Y81 PolarHBondContact O-N 3.1Å; T79-Y81 VanDerWaalsContact C-N 3.32Å; T79-Y81 PolarHBondContact O-N 2.88Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.2Å; Y81-R84 PolarHBondContact O-N 3.17Å; Y81-Q85 PolarHBondContact O-N 3.17Å; Y81-M246 HydrophobicContact CD1-CE 4.44Å; Y81-M246 HydrophobicContact CD2-CE 4.22Å; Y81-M246 HydrophobicContact CE1-CE 3.83Å; Y81-M246 HydrophobicContact CE2-CB 4.17Å; Y81-M246 HydrophobicContact CE2-CE 3.57Å; Y81-M246 HydrophobicContact CE2-CG 4.49Å; Y81-L249 HydrophobicContact CD2-CB 4.2Å; Y81-I250 HydrophobicContact CD2-CG1 4.46Å; Y81-I250 HydrophobicContact CE2-CD1 4.03Å; Y81-I250 HydrophobicContact CE2-CG1 3.79Å; Y81-L1375 VanDerWaalsContact OH-CD1 3.31Å; Y81-L1375 WeakPolarHBondContact OH-CD1 3.26Å |
| 82 | C | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 173.7 | -175 | 0 | 0 | 0 | 0 | 111.6 | F57 Q58 L78 T79 R84 Q85 K86 | F57-C82 HydrophobicContact CD1-CB 3.92Å; F57-C82 HydrophobicContact CE1-CB 4.27Å; Q58-C82 PolarHBondContact OE1-SG 3.16Å; Q58-C82 VanDerWaalsContact OE1-SG 3.33Å; L78-C82 WeakPolarHBondContact O-CB 3.49Å; L78-C82 PolarHBondContact O-N 2.86Å; T79-C82 PolarHBondContact O-N 3.47Å; C82-R84 PolarHBondContact O-N 3.38Å; C82-Q85 PolarHBondContact O-N 2.88Å; C82-K86 WeakPolarHBondContact O-CG 3.45Å; C82-K86 PolarHBondContact O-N 3.43Å |
| 83 | M | 95.9 | Very high | 95 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 58% | 0.576 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.2 | -38.5 | 178 | -69.2 | -62.6 | -70.4 | 0 | 0 | 112.9 | T79 R80 Y81 K86 S87 | T79-M83 WeakPolarHBondContact O-CG 3.27Å; T79-M83 PolarHBondContact O-N 2.72Å; R80-M83 PolarHBondContact O-N 3.17Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.2Å; M83-K86 PolarHBondContact O-N 2.99Å; M83-S87 PolarHBondContact O-N 3.38Å |
| 84 | R | 95.5 | Very high | 95.3 | Very high | 103 Ų | 103 | 42.3 Ų | 42.3 | 39% | 0.389 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 172.2 | -68.1 | -60.6 | -178.2 | 177.6 | -0.9 | 112.3 | R80 Y81 C82 K86 S87 L88 E242 T245 M246 L249 | R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 2.87Å; Y81-R84 PolarHBondContact O-N 3.17Å; C82-R84 PolarHBondContact O-N 3.38Å; R84-K86 VanDerWaalsContact C-N 3.32Å; R84-K86 PolarHBondContact O-N 3.25Å; R84-S87 WeakPolarHBondContact O-CB 3.35Å; R84-S87 PolarHBondContact O-N 2.83Å; R84-L88 PolarHBondContact O-N 2.97Å; R84-E242 IonicContact NH1-OE2 3.48Å; R84-T245 WeakPolarHBondContact CD-OG1 3.42Å; R84-M246 HydrophobicContact CB-CG 3.7Å; R84-M246 HydrophobicContact CB-SD 4.31Å; R84-L249 HydrophobicContact CB-CD1 4.41Å; R84-L249 HydrophobicContact CG-CD1 3.7Å |
| 85 | Q | 95.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 175.5 | -159.4 | -179.9 | -41 | 0 | 0 | 112.1 | L54 Y81 C82 L88 E89 M246 | L54-Q85 HydrophobicContact CD1-CB 4.06Å; L54-Q85 HydrophobicContact CD1-CG 4Å; L54-Q85 HydrophobicContact CD2-CB 3.89Å; L54-Q85 HydrophobicContact CD2-CG 4.07Å; Y81-Q85 PolarHBondContact O-N 3.17Å; C82-Q85 PolarHBondContact O-N 2.88Å; Q85-L88 PolarHBondContact O-N 3.1Å; Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 PolarHBondContact O-N 3.37Å; Q85-M246 HydrophobicContact CB-CE 3.84Å; Q85-M246 HydrophobicContact CG-CE 4.06Å |
| 86 | K | 95.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 170.3 | -72.7 | -171 | 174.2 | -169.3 | 0 | 112.8 | L54 D55 C82 M83 R84 E89 S90 | L54-K86 HydrophobicContact CB-CG 4.27Å; L54-K86 HydrophobicContact CD1-CG 3.67Å; D55-K86 IonicContact OD1-NZ 3.24Å; D55-K86 PolarHBondContact OD1-NZ 3.03Å; C82-K86 WeakPolarHBondContact O-CG 3.45Å; C82-K86 PolarHBondContact O-N 3.43Å; M83-K86 PolarHBondContact O-N 2.99Å; R84-K86 VanDerWaalsContact C-N 3.32Å; R84-K86 PolarHBondContact O-N 3.25Å; K86-E89 PolarHBondContact O-N 3.43Å; K86-S90 PolarHBondContact O-N 3.18Å |
| 87 | S | 95 | Very high | 95.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 170.5 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | M83 R84 E89 S90 K91 E242 | M83-S87 PolarHBondContact O-N 3.38Å; R84-S87 WeakPolarHBondContact O-CB 3.35Å; R84-S87 PolarHBondContact O-N 2.83Å; S87-E89 VanDerWaalsContact C-N 3.34Å; S87-E89 PolarHBondContact O-N 3.42Å; S87-S90 WeakPolarHBondContact O-CB 3.43Å; S87-S90 PolarHBondContact O-N 3.15Å; S87-K91 PolarHBondContact O-N 2.92Å; S87-K91 VanDerWaalsContact O-N 3.13Å; S87-E242 VanDerWaalsContact CB-OE2 3.24Å; S87-E242 WeakPolarHBondContact CB-OE2 3.41Å; S87-E242 PolarHBondContact OG-OE2 2.97Å |
| 88 | L | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.6 | 179 | 59.7 | 0 | 0 | 0 | 112 | R84 Q85 S90 K91 V92 M239 E242 I243 M246 L1375 | R84-L88 PolarHBondContact O-N 2.97Å; Q85-L88 PolarHBondContact O-N 3.1Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.49Å; L88-K91 PolarHBondContact O-N 2.96Å; L88-K91 VanDerWaalsContact O-N 3.15Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 3.49Å; L88-M239 HydrophobicContact CD1-CB 3.75Å; L88-M239 HydrophobicContact CD1-CG 3.74Å; L88-M239 HydrophobicContact CD1-SD 3.94Å; L88-E242 HydrophobicContact CB-CB 4.16Å; L88-E242 HydrophobicContact CB-CG 4.36Å; L88-E242 HydrophobicContact CD1-CB 4.37Å; L88-I243 HydrophobicContact CD2-CG1 4.42Å; L88-M246 HydrophobicContact CD2-SD 4.16Å; L88-L1375 HydrophobicContact CD2-CD2 4.36Å |
| 89 | E | 95 | Very high | 95.7 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 176.1 | -173.6 | -171.7 | 108 | 0 | 0 | 112.5 | T47 S50 S51 Q85 K86 S87 V92 K93 | T47-E89 HydrophobicContact CG2-CG 4.4Å; S50-E89 WeakPolarHBondContact CB-OE2 3.33Å; S50-E89 PolarHBondContact OG-OE2 3.34Å; S51-E89 WeakPolarHBondContact CA-OE2 3.38Å; S51-E89 PolarHBondContact N-OE2 3.43Å; S51-E89 PolarHBondContact OG-OE1 3Å; Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 PolarHBondContact O-N 3.37Å; K86-E89 PolarHBondContact O-N 3.43Å; S87-E89 VanDerWaalsContact C-N 3.34Å; S87-E89 PolarHBondContact O-N 3.42Å; E89-V92 PolarHBondContact O-N 2.7Å; E89-K93 HydrophobicContact CG-CD 4.36Å; E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 2.92Å; E89-K93 WeakPolarHBondContact OE1-CE 3.22Å; E89-K93 IonicContact OE1-NZ 2.88Å; E89-K93 PolarHBondContact OE1-NZ 3.33Å |
| 90 | S | 94.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 53% | 0.531 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.2 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | K86 S87 L88 V92 K93 S94 | K86-S90 PolarHBondContact O-N 3.18Å; S87-S90 WeakPolarHBondContact O-CB 3.43Å; S87-S90 PolarHBondContact O-N 3.15Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.49Å; S90-V92 PolarHBondContact O-N 3.32Å; S90-K93 WeakPolarHBondContact O-CB 3.1Å; S90-K93 PolarHBondContact O-N 2.78Å; S90-S94 PolarHBondContact O-N 2.94Å |
| 91 | K | 94.7 | Very high | 95.7 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.4 | -67.1 | -178.5 | 174.2 | -178.4 | 0 | 112.5 | S87 L88 S94 M95 S238 M239 E242 | S87-K91 PolarHBondContact O-N 2.92Å; S87-K91 VanDerWaalsContact O-N 3.13Å; L88-K91 PolarHBondContact O-N 2.96Å; L88-K91 VanDerWaalsContact O-N 3.15Å; K91-S94 PolarHBondContact O-N 3.12Å; K91-M95 PolarHBondContact O-N 2.79Å; K91-S238 WeakPolarHBondContact CE-OG 3.48Å; K91-S238 PolarHBondContact NZ-O 3.22Å; K91-S238 PolarHBondContact NZ-OG 3.36Å; K91-M239 HydrophobicContact CB-CG 3.55Å; K91-M239 HydrophobicContact CB-SD 4.19Å; K91-M239 HydrophobicContact CD-CG 4.23Å; K91-E242 HydrophobicContact CD-CG 3.88Å; K91-E242 WeakPolarHBondContact CE-OE1 3.22Å; K91-E242 IonicContact NZ-OE1 3.26Å; K91-E242 PolarHBondContact NZ-OE1 2.9Å |
| 92 | V | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L43 T47 L88 E89 S90 M95 G96 M239 F1374 | L43-V92 HydrophobicContact CD2-CG1 4.14Å; T47-V92 HydrophobicContact CG2-CB 3.93Å; T47-V92 HydrophobicContact CG2-CG1 3.44Å; T47-V92 VanDerWaalsContact CG2-CG1 3.44Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 3.49Å; E89-V92 PolarHBondContact O-N 2.7Å; S90-V92 PolarHBondContact O-N 3.32Å; V92-M95 HydrophobicContact CG1-CE 4.48Å; V92-M95 PolarHBondContact O-N 3.29Å; V92-G96 PolarHBondContact O-N 3.37Å; V92-M239 HydrophobicContact CB-SD 4.37Å; V92-M239 HydrophobicContact CG2-SD 3.46Å; V92-M239 WeakPolarHBondContact CG2-SD 3.3Å; V92-F1374 HydrophobicContact CG2-CZ 4.13Å |
| 93 | K | 95.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -42.4 | 174.2 | -74.9 | 168 | 173.4 | 168.2 | 0 | 111.3 | T47 S51 E89 S90 G96 N97 | T47-K93 HydrophobicContact CG2-CG 3.94Å; S51-K93 PolarHBondContact OG-NZ 3Å; S51-K93 VanDerWaalsContact OG-NZ 3.11Å; E89-K93 HydrophobicContact CG-CD 4.36Å; E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 2.92Å; E89-K93 WeakPolarHBondContact OE1-CE 3.22Å; E89-K93 IonicContact OE1-NZ 2.88Å; E89-K93 PolarHBondContact OE1-NZ 3.33Å; S90-K93 WeakPolarHBondContact O-CB 3.1Å; S90-K93 PolarHBondContact O-N 2.78Å; K93-G96 WeakPolarHBondContact O-CA 3.49Å; K93-G96 PolarHBondContact O-N 2.89Å; K93-N97 PolarHBondContact O-N 3.49Å |
| 94 | S | 95.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -49.1 | 176 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | S90 K91 G96 N97 H98 | S90-S94 PolarHBondContact O-N 2.94Å; K91-S94 PolarHBondContact O-N 3.12Å; S94-G96 PolarHBondContact O-N 3.41Å; S94-N97 WeakPolarHBondContact O-CA 3.1Å; S94-N97 WeakPolarHBondContact O-CB 3.3Å; S94-N97 PolarHBondContact O-N 3.07Å; S94-H98 PolarHBondContact O-CD2 3.17Å; S94-H98 VanDerWaalsContact O-CD2 3.31Å; S94-H98 PolarHBondContact O-N 3.29Å |
| 95 | M | 95.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55 | -41.3 | 172.2 | -173.4 | -170.5 | 63.1 | 0 | 0 | 111.4 | L43 K91 V92 N97 H98 L99 I232 C235 Q236 M239 | L43-M95 HydrophobicContact CD1-CE 3.82Å; L43-M95 HydrophobicContact CD2-CE 4.3Å; K91-M95 PolarHBondContact O-N 2.79Å; V92-M95 HydrophobicContact CG1-CE 4.48Å; V92-M95 PolarHBondContact O-N 3.29Å; M95-N97 VanDerWaalsContact C-N 3.34Å; M95-N97 PolarHBondContact O-N 3.09Å; M95-H98 PolarHBondContact O-N 3.48Å; M95-L99 WeakPolarHBondContact O-CG 3.36Å; M95-L99 PolarHBondContact O-N 2.87Å; M95-L99 VanDerWaalsContact O-N 3.1Å; M95-I232 HydrophobicContact CG-CG2 3.93Å; M95-I232 HydrophobicContact SD-CG2 4.47Å; M95-C235 HydrophobicContact CB-CB 3.8Å; M95-C235 HydrophobicContact CG-CB 4.12Å; M95-Q236 HydrophobicContact SD-CG 3.52Å; M95-Q236 VanDerWaalsContact SD-CG 3.52Å; M95-M239 HydrophobicContact CE-CE 4.16Å; M95-M239 HydrophobicContact SD-CE 3.63Å |
| 96 | G | 95.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.9 | -48.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H40 V92 K93 S94 | H40-G96 PolarHBondContact ND1-O 3.44Å; V92-G96 PolarHBondContact O-N 3.37Å; K93-G96 WeakPolarHBondContact O-CA 3.49Å; K93-G96 PolarHBondContact O-N 2.89Å; S94-G96 PolarHBondContact O-N 3.41Å |
| 97 | N | 95.6 | Very high | 95.9 | Very high | 96 Ų | 96 | 36.8 Ų | 36.8 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 177.7 | -66.4 | -27.9 | 0 | 0 | 0 | 111.9 | K93 S94 M95 L99 V100 T101 | K93-N97 PolarHBondContact O-N 3.49Å; S94-N97 WeakPolarHBondContact O-CA 3.1Å; S94-N97 WeakPolarHBondContact O-CB 3.3Å; S94-N97 PolarHBondContact O-N 3.07Å; M95-N97 VanDerWaalsContact C-N 3.34Å; M95-N97 PolarHBondContact O-N 3.09Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.29Å; N97-V100 PolarHBondContact O-N 3.47Å; N97-T101 PolarHBondContact O-N 3.04Å; N97-T101 PolarHBondContact O-OG1 2.8Å; N97-T101 VanDerWaalsContact O-OG1 3.06Å |
| 98 | H | 96.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -34.2 | 179.5 | -79.4 | -71.6 | 0 | 0 | 0 | 113.8 | S94 M95 V100 T101 S102 L103 I232 C235 | S94-H98 PolarHBondContact O-CD2 3.17Å; S94-H98 VanDerWaalsContact O-CD2 3.31Å; S94-H98 PolarHBondContact O-N 3.29Å; M95-H98 PolarHBondContact O-N 3.48Å; H98-V100 PolarHBondContact O-N 2.99Å; H98-T101 PolarHBondContact O-N 2.91Å; H98-S102 PolarHBondContact ND1-OG 3.41Å; H98-S102 WeakPolarHBondContact O-CA 3.46Å; H98-S102 VanDerWaalsContact O-CB 3.3Å; H98-S102 WeakPolarHBondContact O-CB 3.5Å; H98-S102 PolarHBondContact O-N 2.99Å; H98-L103 PolarHBondContact O-N 3.07Å; H98-I232 HydrophobicContact CB-CG1 3.83Å; H98-C235 VanDerWaalsContact CD2-SG 3.6Å |
| 99 | L | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -56 | -34 | 172.8 | -75.9 | 156.5 | 0 | 0 | 0 | 112.9 | C36 F39 L43 M95 N97 A104 I232 | C36-L99 PolarHBondContact SG-O 3.11Å; F39-L99 HydrophobicContact CD1-CD1 3.61Å; F39-L99 HydrophobicContact CD1-CD2 4.06Å; F39-L99 HydrophobicContact CE1-CD1 3.63Å; F39-L99 HydrophobicContact CE1-CD2 4.33Å; L43-L99 HydrophobicContact CD1-CD1 3.46Å; L43-L99 VanDerWaalsContact CD1-CD1 3.46Å; M95-L99 WeakPolarHBondContact O-CG 3.36Å; M95-L99 PolarHBondContact O-N 2.87Å; M95-L99 VanDerWaalsContact O-N 3.1Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.29Å; L99-A104 WeakPolarHBondContact O-CB 3.35Å; L99-A104 PolarHBondContact O-N 3.27Å; L99-I232 HydrophobicContact CD2-CD1 3.87Å; L99-I232 HydrophobicContact CD2-CG2 4.27Å; L99-I232 HydrophobicContact CG-CD1 4.17Å; L99-I232 HydrophobicContact CG-CG1 4.41Å; L99-I232 HydrophobicContact CG-CG2 4.41Å |
| 100 | V | 95.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -91.5 | -46.8 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | H40 N97 H98 N105 | H40-V100 HydrophobicContact CB-CG2 3.77Å; H40-V100 WeakPolarHBondContact ND1-CG2 3.46Å; N97-V100 PolarHBondContact O-N 3.47Å; H98-V100 PolarHBondContact O-N 2.99Å; V100-N105 WeakPolarHBondContact CG1-ND2 3.41Å; V100-N105 VanDerWaalsContact O-CB 3.29Å; V100-N105 WeakPolarHBondContact O-CB 3.47Å; V100-N105 VanDerWaalsContact O-CG 3.28Å; V100-N105 PolarHBondContact O-N 3.14Å; V100-N105 PolarHBondContact O-ND2 3.29Å |
| 101 | T | 96.5 | Very high | 95.9 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 52% | 0.521 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -80.1 | -39.1 | -171.7 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N97 H98 P106 | N97-T101 PolarHBondContact O-N 3.04Å; N97-T101 PolarHBondContact O-OG1 2.8Å; N97-T101 VanDerWaalsContact O-OG1 3.06Å; H98-T101 PolarHBondContact O-N 2.91Å; T101-P106 VanDerWaalsContact O-CD 3.31Å; T101-P106 WeakPolarHBondContact O-CD 3.18Å; T101-P106 VanDerWaalsContact O-CG 3.3Å; T101-P106 WeakPolarHBondContact O-CG 3.38Å |
| 102 | S | 96.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 42 Ų | 42 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -93.2 | -30.2 | -179 | -57.6 | 0 | 0 | 0 | 0 | 113 | H98 P106 C228 | H98-S102 PolarHBondContact ND1-OG 3.41Å; H98-S102 WeakPolarHBondContact O-CA 3.46Å; H98-S102 VanDerWaalsContact O-CB 3.3Å; H98-S102 WeakPolarHBondContact O-CB 3.5Å; H98-S102 PolarHBondContact O-N 2.99Å; S102-P106 WeakPolarHBondContact O-CG 3.5Å; S102-C228 WeakPolarHBondContact O-CA 3.35Å; S102-C228 WeakPolarHBondContact O-CB 3.43Å; S102-C228 PolarHBondContact O-SG 3.08Å |
| 103 | L | 97.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -110.5 | -67.5 | -174.4 | -173.4 | 63.8 | 0 | 0 | 0 | 114.6 | H98 L107 F225 C228 L229 I232 | H98-L103 PolarHBondContact O-N 3.07Å; L103-L107 HydrophobicContact CD1-CD1 3.51Å; L103-L107 HydrophobicContact CD1-CG 4.09Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 VanDerWaalsContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.48Å; L103-F225 HydrophobicContact CD1-CD2 3.89Å; L103-F225 HydrophobicContact CD1-CE2 3.94Å; L103-C228 HydrophobicContact CD1-CB 3.63Å; L103-L229 HydrophobicContact CD2-CD1 4.28Å; L103-I232 HydrophobicContact CB-CD1 3.65Å; L103-I232 HydrophobicContact CD2-CD1 3.68Å; L103-I232 HydrophobicContact CG-CD1 4.27Å |
| 104 | A | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -64.2 | -49.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C36 L99 N108 | C36-A104 HydrophobicContact CB-CB 4.37Å; L99-A104 WeakPolarHBondContact O-CB 3.35Å; L99-A104 PolarHBondContact O-N 3.27Å; A104-N108 VanDerWaalsContact O-CB 3.22Å; A104-N108 WeakPolarHBondContact O-CB 3.34Å; A104-N108 PolarHBondContact O-N 3.2Å |
| 105 | N | 95.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -45.1 | -178.4 | -68.8 | -17.9 | 0 | 0 | 0 | 112.6 | V100 N108 S109 | V100-N105 WeakPolarHBondContact CG1-ND2 3.41Å; V100-N105 VanDerWaalsContact O-CB 3.29Å; V100-N105 WeakPolarHBondContact O-CB 3.47Å; V100-N105 VanDerWaalsContact O-CG 3.28Å; V100-N105 PolarHBondContact O-N 3.14Å; V100-N105 PolarHBondContact O-ND2 3.29Å; N105-N108 PolarHBondContact O-N 3.4Å; N105-S109 PolarHBondContact O-N 3.07Å; N105-S109 VanDerWaalsContact O-N 3.11Å |
| 106 | P | 96.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 174.5 | -29.3 | 40.8 | 0 | 0 | 0 | 113.1 | T101 S102 N108 S109 K110 F224 | T101-P106 VanDerWaalsContact O-CD 3.31Å; T101-P106 WeakPolarHBondContact O-CD 3.18Å; T101-P106 VanDerWaalsContact O-CG 3.3Å; T101-P106 WeakPolarHBondContact O-CG 3.38Å; S102-P106 WeakPolarHBondContact O-CG 3.5Å; P106-N108 PolarHBondContact O-N 3.43Å; P106-S109 PolarHBondContact O-N 2.91Å; P106-S109 PolarHBondContact O-OG 2.69Å; P106-K110 WeakPolarHBondContact O-CB 3.41Å; P106-K110 PolarHBondContact O-N 3.49Å; P106-F224 HydrophobicContact CB-CE1 4.44Å; P106-F224 HydrophobicContact CB-CZ 3.98Å |
| 107 | L | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.7 | -76.3 | 177 | 0 | 0 | 0 | 112 | W29 L32 I33 L103 S109 K110 V111 W114 F224 F225 | W29-L107 HydrophobicContact CE3-CD2 4.21Å; W29-L107 HydrophobicContact CZ3-CD2 4.22Å; L32-L107 HydrophobicContact CD2-CD1 4.06Å; I33-L107 HydrophobicContact CD1-CB 3.99Å; I33-L107 HydrophobicContact CG1-CB 3.85Å; I33-L107 HydrophobicContact CG1-CD1 4.42Å; L103-L107 HydrophobicContact CD1-CD1 3.51Å; L103-L107 HydrophobicContact CD1-CG 4.09Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 VanDerWaalsContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.48Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.15Å; L107-K110 PolarHBondContact O-N 3.38Å; L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.04Å; L107-W114 HydrophobicContact CD2-CH2 3.95Å; L107-W114 HydrophobicContact CD2-CZ3 4.48Å; L107-F224 HydrophobicContact CD2-CD1 4.12Å; L107-F224 HydrophobicContact CD2-CE1 4.13Å; L107-F225 HydrophobicContact CD1-CD2 4.24Å; L107-F225 HydrophobicContact CD2-CB 4.45Å |
| 108 | N | 95.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57 | -41.5 | 179.1 | -173.5 | 79.2 | 0 | 0 | 0 | 112.1 | I33 A104 N105 P106 | I33-N108 HydrophobicContact CD1-CB 4.1Å; I33-N108 HydrophobicContact CG2-CB 4.21Å; A104-N108 VanDerWaalsContact O-CB 3.22Å; A104-N108 WeakPolarHBondContact O-CB 3.34Å; A104-N108 PolarHBondContact O-N 3.2Å; N105-N108 PolarHBondContact O-N 3.4Å; P106-N108 PolarHBondContact O-N 3.43Å |
| 109 | S | 92.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 52% | 0.517 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.6 | -32.7 | 174.4 | 77.4 | 0 | 0 | 0 | 0 | 113.6 | N105 P106 L107 | N105-S109 PolarHBondContact O-N 3.07Å; N105-S109 VanDerWaalsContact O-N 3.11Å; P106-S109 PolarHBondContact O-N 2.91Å; P106-S109 PolarHBondContact O-OG 2.69Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.15Å |
| 110 | K | 95.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.8 | -32.8 | -173 | -150.7 | 75.3 | -170.2 | 164.4 | 0 | 113.3 | P106 L107 D112 E113 W114 F224 | P106-K110 WeakPolarHBondContact O-CB 3.41Å; P106-K110 PolarHBondContact O-N 3.49Å; L107-K110 PolarHBondContact O-N 3.38Å; K110-D112 VanDerWaalsContact C-N 3.28Å; K110-D112 PolarHBondContact O-N 2.97Å; K110-E113 WeakPolarHBondContact CE-OE1 3.28Å; K110-E113 IonicContact NZ-OE1 3.93Å; K110-E113 PolarHBondContact NZ-OE1 2.72Å; K110-E113 IonicContact NZ-OE2 2.72Å; K110-E113 PolarHBondContact NZ-OE2 3.43Å; K110-E113 CarbonylContact O-C 3.56Å; K110-E113 WeakPolarHBondContact O-CA 3.45Å; K110-E113 VanDerWaalsContact O-CB 3.28Å; K110-E113 WeakPolarHBondContact O-CB 3.36Å; K110-E113 PolarHBondContact O-N 2.74Å; K110-W114 HydrophobicContact CB-CZ2 4.13Å; K110-W114 HydrophobicContact CG-CD2 4.3Å; K110-W114 HydrophobicContact CG-CZ2 3.71Å; K110-W114 PolarHBondContact O-N 2.71Å; K110-F224 HydrophobicContact CB-CD1 4.15Å; K110-F224 HydrophobicContact CB-CE1 3.51Å; K110-F224 HydrophobicContact CB-CZ 3.84Å; K110-F224 HydrophobicContact CD-CD2 4.48Å; K110-F224 HydrophobicContact CD-CE1 4.26Å; K110-F224 HydrophobicContact CD-CE2 4.01Å; K110-F224 HydrophobicContact CD-CZ 3.89Å; K110-F224 HydrophobicContact CG-CD1 3.93Å; K110-F224 HydrophobicContact CG-CD2 4.48Å; K110-F224 HydrophobicContact CG-CE1 3.66Å; K110-F224 HydrophobicContact CG-CE2 4.25Å; K110-F224 HydrophobicContact CG-CG 4.33Å; K110-F224 HydrophobicContact CG-CZ 3.83Å |
| 111 | V | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 175.6 | 164.3 | 0 | 0 | 0 | 0 | 111.5 | Y26 W29 E30 I33 L107 E113 W114 K115 | Y26-V111 HydrophobicContact CD1-CG1 4.36Å; W29-V111 HydrophobicContact CB-CG2 3.66Å; W29-V111 HydrophobicContact CG-CG2 4.23Å; E30-V111 HydrophobicContact CG-CG1 4.44Å; I33-V111 HydrophobicContact CD1-CG2 4.16Å; L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.04Å; V111-E113 VanDerWaalsContact C-N 3.31Å; V111-E113 PolarHBondContact O-N 2.88Å; V111-W114 HydrophobicContact CB-CE3 4.34Å; V111-W114 HydrophobicContact CG2-CE3 3.76Å; V111-W114 HydrophobicContact CG2-CZ3 3.72Å; V111-W114 PolarHBondContact O-N 3.34Å; V111-K115 VanDerWaalsContact CG1-CE 3.45Å; V111-K115 VanDerWaalsContact O-CG 3.32Å; V111-K115 WeakPolarHBondContact O-CG 3.26Å; V111-K115 PolarHBondContact O-N 3.36Å |
| 112 | D | 93.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.7 | -21.8 | 174.5 | -84.6 | -7.1 | 0 | 0 | 0 | 113.9 | K110 K115 R116 | K110-D112 VanDerWaalsContact C-N 3.28Å; K110-D112 PolarHBondContact O-N 2.97Å; D112-K115 WeakPolarHBondContact OD1-CD 3.44Å; D112-K115 IonicContact OD1-NZ 2.62Å; D112-K115 PolarHBondContact OD1-NZ 3.22Å; D112-R116 WeakPolarHBondContact O-CG 3.39Å; D112-R116 PolarHBondContact O-NE 2.87Å; D112-R116 PolarHBondContact O-NH2 3.37Å |
| 113 | E | 95.5 | Very high | 95.8 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.5 | -48 | 168.3 | -160.4 | -174.4 | 119.1 | 0 | 0 | 111.2 | K110 V111 K115 R116 N117 | K110-E113 WeakPolarHBondContact CE-OE1 3.28Å; K110-E113 IonicContact NZ-OE1 3.93Å; K110-E113 PolarHBondContact NZ-OE1 2.72Å; K110-E113 IonicContact NZ-OE2 2.72Å; K110-E113 PolarHBondContact NZ-OE2 3.43Å; K110-E113 CarbonylContact O-C 3.56Å; K110-E113 WeakPolarHBondContact O-CA 3.45Å; K110-E113 VanDerWaalsContact O-CB 3.28Å; K110-E113 WeakPolarHBondContact O-CB 3.36Å; K110-E113 PolarHBondContact O-N 2.74Å; V111-E113 VanDerWaalsContact C-N 3.31Å; V111-E113 PolarHBondContact O-N 2.88Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 2.85Å; E113-R116 VanDerWaalsContact CA-NH2 3.26Å; E113-R116 CarbonylContact O-C 3.58Å; E113-R116 WeakPolarHBondContact O-CA 3.2Å; E113-R116 WeakPolarHBondContact O-CB 3.36Å; E113-R116 PolarHBondContact O-N 2.73Å; E113-N117 VanDerWaalsContact O-CG 3.28Å; E113-N117 PolarHBondContact O-N 3Å; E113-N117 PolarHBondContact O-OD1 3.1Å |
| 114 | W | 97.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 175.8 | -63.1 | -29.8 | 0 | 0 | 0 | 112.5 | Y26 W29 L107 K110 V111 R116 N117 L118 R221 F224 | Y26-W114 HydrophobicContact CE1-CB 4.02Å; Y26-W114 PolarHBondContact OH-O 3.13Å; W29-W114 AromaticContact CD2-CZ3 3.88Å; W29-W114 HydrophobicContact CD2-CZ3 3.88Å; W29-W114 AromaticContact CE2-CZ3 3.97Å; W29-W114 HydrophobicContact CE3-CZ3 4.31Å; W29-W114 HydrophobicContact CG-CZ3 4.1Å; W29-W114 HydrophobicContact CZ2-CZ3 4.5Å; L107-W114 HydrophobicContact CD2-CH2 3.95Å; L107-W114 HydrophobicContact CD2-CZ3 4.48Å; K110-W114 HydrophobicContact CB-CZ2 4.13Å; K110-W114 HydrophobicContact CG-CD2 4.3Å; K110-W114 HydrophobicContact CG-CZ2 3.71Å; K110-W114 PolarHBondContact O-N 2.71Å; V111-W114 HydrophobicContact CB-CE3 4.34Å; V111-W114 HydrophobicContact CG2-CE3 3.76Å; V111-W114 HydrophobicContact CG2-CZ3 3.72Å; V111-W114 PolarHBondContact O-N 3.34Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 2.82Å; W114-N117 PolarHBondContact O-N 3.4Å; W114-L118 WeakPolarHBondContact O-CB 3.38Å; W114-L118 PolarHBondContact O-N 2.93Å; W114-R221 HydrophobicContact CD2-CB 4.47Å; W114-R221 HydrophobicContact CD2-CG 3.74Å; W114-R221 HydrophobicContact CE3-CG 4.19Å; W114-R221 HydrophobicContact CG-CG 4.02Å; W114-R221 HydrophobicContact CH2-CB 4.14Å; W114-R221 HydrophobicContact CH2-CG 4.44Å; W114-R221 HydrophobicContact CZ2-CB 3.96Å; W114-R221 HydrophobicContact CZ2-CG 4.02Å; W114-R221 HydrophobicContact CZ3-CB 4.46Å; W114-R221 PolarHBondContact O-NH2 3.5Å; W114-F224 AromaticContact CH2-CD1 3.98Å; W114-F224 HydrophobicContact CH2-CD1 3.98Å; W114-F224 HydrophobicContact CZ2-CB 4.14Å; W114-F224 AromaticContact CZ2-CD1 3.63Å; W114-F224 HydrophobicContact CZ2-CD1 3.63Å; W114-F224 HydrophobicContact CZ2-CE1 4.42Å; W114-F224 HydrophobicContact CZ2-CG 4.15Å |
| 115 | K | 95.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.1 | -45 | 171.9 | -72.2 | 170.6 | -161.4 | 158.7 | 0 | 111.9 | Y26 E30 V111 D112 E113 C119 | Y26-K115 HydrophobicContact CD1-CG 3.91Å; Y26-K115 HydrophobicContact CD2-CG 4Å; Y26-K115 HydrophobicContact CE1-CG 3.76Å; Y26-K115 HydrophobicContact CE2-CG 3.85Å; Y26-K115 HydrophobicContact CG-CG 4.07Å; Y26-K115 WeakPolarHBondContact OH-CA 3.42Å; E30-K115 IonicContact OE1-NZ 2.63Å; E30-K115 PolarHBondContact OE1-NZ 3.35Å; V111-K115 VanDerWaalsContact CG1-CE 3.45Å; V111-K115 VanDerWaalsContact O-CG 3.32Å; V111-K115 WeakPolarHBondContact O-CG 3.26Å; V111-K115 PolarHBondContact O-N 3.36Å; D112-K115 WeakPolarHBondContact OD1-CD 3.44Å; D112-K115 IonicContact OD1-NZ 2.62Å; D112-K115 PolarHBondContact OD1-NZ 3.22Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 2.85Å; K115-C119 WeakPolarHBondContact O-CB 3.48Å; K115-C119 PolarHBondContact O-N 2.75Å; K115-C119 PolarHBondContact O-SG 3.36Å |
| 116 | R | 95.3 | Very high | 95.5 | Very high | 151 Ų | 151 | 55.7 Ų | 55.7 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.8 | -43.4 | 179.1 | -74 | 174.9 | -74.9 | 146.4 | -1.1 | 112.5 | D112 E113 W114 C119 Q120 | D112-R116 WeakPolarHBondContact O-CG 3.39Å; D112-R116 PolarHBondContact O-NE 2.87Å; D112-R116 PolarHBondContact O-NH2 3.37Å; E113-R116 VanDerWaalsContact CA-NH2 3.26Å; E113-R116 CarbonylContact O-C 3.58Å; E113-R116 WeakPolarHBondContact O-CA 3.2Å; E113-R116 WeakPolarHBondContact O-CB 3.36Å; E113-R116 PolarHBondContact O-N 2.73Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 2.82Å; R116-C119 PolarHBondContact O-N 3.31Å; R116-Q120 PolarHBondContact O-N 2.89Å; R116-Q120 VanDerWaalsContact O-N 3.12Å |
| 117 | N | 95.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | -178.6 | -67.2 | -2.7 | 0 | 0 | 0 | 111 | E113 W114 C119 Q120 L121 | E113-N117 VanDerWaalsContact O-CG 3.28Å; E113-N117 PolarHBondContact O-N 3Å; E113-N117 PolarHBondContact O-OD1 3.1Å; W114-N117 PolarHBondContact O-N 3.4Å; N117-C119 VanDerWaalsContact C-N 3.33Å; N117-C119 PolarHBondContact O-N 3.28Å; N117-Q120 WeakPolarHBondContact O-CA 3.46Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 3.44Å; N117-L121 PolarHBondContact O-N 2.71Å |
| 118 | L | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.9 | -167 | 70.1 | 0 | 0 | 0 | 112 | L19 L22 K23 Y26 W114 Q120 L121 E122 L214 E217 | L19-L118 HydrophobicContact CD1-CD1 3.79Å; L19-L118 HydrophobicContact CD1-CD2 4.13Å; L19-L118 HydrophobicContact CD1-CG 3.79Å; L22-L118 HydrophobicContact CB-CD1 3.91Å; L22-L118 HydrophobicContact CB-CD2 3.61Å; L22-L118 HydrophobicContact CB-CG 4.44Å; L22-L118 HydrophobicContact CD1-CD1 3.88Å; L22-L118 WeakPolarHBondContact O-CD2 3.35Å; K23-L118 HydrophobicContact CG-CD2 3.72Å; Y26-L118 HydrophobicContact CE2-CD2 4.46Å; Y26-L118 WeakPolarHBondContact OH-CB 3.47Å; Y26-L118 VanDerWaalsContact OH-CD2 3.26Å; Y26-L118 WeakPolarHBondContact OH-CD2 3.44Å; W114-L118 WeakPolarHBondContact O-CB 3.38Å; W114-L118 PolarHBondContact O-N 2.93Å; L118-Q120 PolarHBondContact O-N 3.37Å; L118-L121 PolarHBondContact O-N 2.92Å; L118-E122 WeakPolarHBondContact O-CB 3.46Å; L118-E122 PolarHBondContact O-N 2.98Å; L118-L214 HydrophobicContact CD1-CD2 3.83Å; L118-E217 HydrophobicContact CD1-CG 4.46Å |
| 119 | C | 95.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -16.3 | 172.8 | -73.9 | 0 | 0 | 0 | 0 | 113.7 | K115 R116 N117 K123 | K115-C119 WeakPolarHBondContact O-CB 3.48Å; K115-C119 PolarHBondContact O-N 2.75Å; K115-C119 PolarHBondContact O-SG 3.36Å; R116-C119 PolarHBondContact O-N 3.31Å; N117-C119 VanDerWaalsContact C-N 3.33Å; N117-C119 PolarHBondContact O-N 3.28Å; C119-K123 WeakPolarHBondContact O-CD 3.41Å; C119-K123 WeakPolarHBondContact O-CE 3.03Å; C119-K123 WeakPolarHBondContact O-CG 3.23Å; C119-K123 PolarHBondContact O-NZ 3.1Å |
| 120 | Q | 95.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -89.5 | -47.7 | 172.7 | -170.5 | 59.4 | 32.1 | 0 | 0 | 110.7 | R116 N117 L118 E122 K123 D124 | R116-Q120 PolarHBondContact O-N 2.89Å; R116-Q120 VanDerWaalsContact O-N 3.12Å; N117-Q120 WeakPolarHBondContact O-CA 3.46Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 3.44Å; L118-Q120 PolarHBondContact O-N 3.37Å; Q120-E122 VanDerWaalsContact C-N 3.29Å; Q120-E122 PolarHBondContact O-N 3.45Å; Q120-K123 WeakPolarHBondContact O-CB 3.32Å; Q120-K123 PolarHBondContact O-N 3Å; Q120-D124 PolarHBondContact NE2-OD1 2.96Å; Q120-D124 PolarHBondContact NE2-OD2 2.91Å; Q120-D124 PolarHBondContact O-N 2.94Å |
| 121 | L | 95.7 | Very high | 95.4 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.6 | -42.8 | 173.6 | -68.9 | 173.1 | 0 | 0 | 0 | 112 | N117 L118 K123 D124 R125 L213 E217 | N117-L121 PolarHBondContact O-N 2.71Å; L118-L121 PolarHBondContact O-N 2.92Å; L121-K123 PolarHBondContact O-N 3.2Å; L121-D124 PolarHBondContact O-N 3.47Å; L121-R125 VanDerWaalsContact O-CB 3.32Å; L121-R125 WeakPolarHBondContact O-CB 3.47Å; L121-R125 PolarHBondContact O-N 3.44Å; L121-L213 HydrophobicContact CD2-CB 4.24Å; L121-L213 HydrophobicContact CD2-CD1 4.45Å; L121-E217 HydrophobicContact CD1-CB 3.87Å; L121-E217 HydrophobicContact CD1-CG 4Å |
| 122 | E | 96 | Very high | 95.3 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.3 | 176.5 | 166.2 | -147 | 0 | 0 | 112.7 | L19 K23 L118 Q120 T126 | L19-E122 HydrophobicContact CD1-CB 4.09Å; L19-E122 HydrophobicContact CD2-CB 4.27Å; L19-E122 HydrophobicContact CD2-CG 3.95Å; K23-E122 WeakPolarHBondContact CE-OE2 3.26Å; K23-E122 IonicContact NZ-OE1 2.67Å; K23-E122 PolarHBondContact NZ-OE1 3.02Å; K23-E122 IonicContact NZ-OE2 3.83Å; K23-E122 PolarHBondContact NZ-OE2 3.32Å; L118-E122 WeakPolarHBondContact O-CB 3.46Å; L118-E122 PolarHBondContact O-N 2.98Å; Q120-E122 VanDerWaalsContact C-N 3.29Å; Q120-E122 PolarHBondContact O-N 3.45Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.18Å; E122-T126 PolarHBondContact O-OG1 3.22Å |
| 123 | K | 96.3 | Very high | 95.4 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 47% | 0.47 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 178.1 | -72.4 | 167 | -164.7 | 151.4 | 0 | 111.1 | C119 Q120 L121 T126 R127 | C119-K123 WeakPolarHBondContact O-CD 3.41Å; C119-K123 WeakPolarHBondContact O-CE 3.03Å; C119-K123 WeakPolarHBondContact O-CG 3.23Å; C119-K123 PolarHBondContact O-NZ 3.1Å; Q120-K123 WeakPolarHBondContact O-CB 3.32Å; Q120-K123 PolarHBondContact O-N 3Å; L121-K123 PolarHBondContact O-N 3.2Å; K123-T126 PolarHBondContact O-N 3.07Å; K123-R127 WeakPolarHBondContact O-CB 3.37Å; K123-R127 WeakPolarHBondContact O-CD 3.32Å; K123-R127 WeakPolarHBondContact O-CG 3.42Å; K123-R127 PolarHBondContact O-N 3.43Å |
| 124 | D | 95.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.3 | -35.1 | -174.6 | -67.4 | -27.5 | 0 | 0 | 0 | 112.1 | Q120 L121 R127 Q128 | Q120-D124 PolarHBondContact NE2-OD1 2.96Å; Q120-D124 PolarHBondContact NE2-OD2 2.91Å; Q120-D124 PolarHBondContact O-N 2.94Å; L121-D124 PolarHBondContact O-N 3.47Å; D124-R127 PolarHBondContact O-N 3.26Å; D124-R127 WeakPolarHBondContact OD1-CD 3.2Å; D124-R127 IonicContact OD1-NH1 3.85Å; D124-R127 PolarHBondContact OD1-NH1 2.83Å; D124-R127 VanDerWaalsContact OD1-NH1 3.12Å; D124-Q128 WeakPolarHBondContact O-CB 3.3Å; D124-Q128 PolarHBondContact O-N 3.43Å |
| 125 | R | 93.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.1 | -56 | 161.9 | -177.1 | 175.6 | 75.3 | 125.4 | -1.5 | 109.9 | N16 L19 L121 R127 Q128 T129 A210 | N16-R125 PolarHBondContact OD1-NH1 2.86Å; N16-R125 PolarHBondContact OD1-NH2 3.2Å; L19-R125 VanDerWaalsContact CD2-NH2 3.31Å; L121-R125 VanDerWaalsContact O-CB 3.32Å; L121-R125 WeakPolarHBondContact O-CB 3.47Å; L121-R125 PolarHBondContact O-N 3.44Å; R125-R127 VanDerWaalsContact C-N 3.26Å; R125-R127 PolarHBondContact O-N 3.41Å; R125-Q128 PolarHBondContact O-N 2.97Å; R125-T129 WeakPolarHBondContact O-CB 3.34Å; R125-T129 PolarHBondContact O-N 2.96Å; R125-T129 PolarHBondContact O-OG1 2.98Å; R125-T129 VanDerWaalsContact O-OG1 3.07Å; R125-A210 HydrophobicContact CB-CB 4.18Å; R125-A210 HydrophobicContact CG-CB 3.71Å |
| 126 | T | 94.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.9 | -37.5 | -179.1 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | E122 K123 K130 | E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.18Å; E122-T126 PolarHBondContact O-OG1 3.22Å; K123-T126 PolarHBondContact O-N 3.07Å; T126-K130 HydrophobicContact CG2-CD 4.17Å; T126-K130 WeakPolarHBondContact O-CB 3.47Å; T126-K130 WeakPolarHBondContact O-CD 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.39Å; T126-K130 PolarHBondContact O-N 2.99Å |
| 127 | R | 95.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 71 Ų | 71 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.8 | -51.8 | 176.8 | -76.8 | 161.2 | 164.1 | -169.4 | -9.1 | 111.6 | K123 D124 R125 K130 R131 | K123-R127 WeakPolarHBondContact O-CB 3.37Å; K123-R127 WeakPolarHBondContact O-CD 3.32Å; K123-R127 WeakPolarHBondContact O-CG 3.42Å; K123-R127 PolarHBondContact O-N 3.43Å; D124-R127 PolarHBondContact O-N 3.26Å; D124-R127 WeakPolarHBondContact OD1-CD 3.2Å; D124-R127 IonicContact OD1-NH1 3.85Å; D124-R127 PolarHBondContact OD1-NH1 2.83Å; D124-R127 VanDerWaalsContact OD1-NH1 3.12Å; R125-R127 VanDerWaalsContact C-N 3.26Å; R125-R127 PolarHBondContact O-N 3.41Å; R127-K130 PolarHBondContact O-N 3.32Å; R127-R131 WeakPolarHBondContact O-CG 3.46Å; R127-R131 PolarHBondContact O-N 3.41Å |
| 128 | Q | 93.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 74.7 Ų | 74.7 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.6 | -48.2 | -175.7 | -167.9 | 63.7 | 6.8 | 0 | 0 | 110.9 | D124 R125 K130 R131 V132 T206 | D124-Q128 WeakPolarHBondContact O-CB 3.3Å; D124-Q128 PolarHBondContact O-N 3.43Å; R125-Q128 PolarHBondContact O-N 2.97Å; Q128-K130 PolarHBondContact O-N 3.49Å; Q128-R131 WeakPolarHBondContact O-CB 3.4Å; Q128-R131 PolarHBondContact O-N 3.17Å; Q128-V132 WeakPolarHBondContact O-CG2 3.43Å; Q128-V132 PolarHBondContact O-N 2.88Å; Q128-T206 HydrophobicContact CB-CG2 4.2Å; Q128-T206 HydrophobicContact CG-CG2 3.65Å |
| 129 | T | 92.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 74.6 Ų | 74.6 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.5 | -41.5 | 171.3 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | R125 R133 E207 | R125-T129 WeakPolarHBondContact O-CB 3.34Å; R125-T129 PolarHBondContact O-N 2.96Å; R125-T129 PolarHBondContact O-OG1 2.98Å; R125-T129 VanDerWaalsContact O-OG1 3.07Å; T129-R133 VanDerWaalsContact CG2-NE 3.27Å; T129-R133 VanDerWaalsContact O-CB 3.26Å; T129-R133 WeakPolarHBondContact O-CB 3.47Å; T129-R133 WeakPolarHBondContact O-CG 3.32Å; T129-R133 PolarHBondContact O-N 3.3Å; T129-R133 VanDerWaalsContact O-N 3.16Å; T129-E207 WeakPolarHBondContact CG2-OE1 3.46Å; T129-E207 PolarHBondContact OG1-OE1 2.79Å; T129-E207 PolarHBondContact OG1-OE2 3.04Å |
| 130 | K | 95.3 | Very high | 95.2 | Very high | 143 Ų | 143 | 74.6 Ų | 74.6 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | 176.5 | -78.6 | 173.2 | -176.6 | 175.9 | 0 | 113.3 | T126 R127 Q128 A134 | T126-K130 HydrophobicContact CG2-CD 4.17Å; T126-K130 WeakPolarHBondContact O-CB 3.47Å; T126-K130 WeakPolarHBondContact O-CD 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.39Å; T126-K130 PolarHBondContact O-N 2.99Å; R127-K130 PolarHBondContact O-N 3.32Å; Q128-K130 PolarHBondContact O-N 3.49Å; K130-A134 WeakPolarHBondContact O-CB 3.41Å; K130-A134 PolarHBondContact O-N 3.2Å; K130-A134 VanDerWaalsContact O-N 3.17Å |
| 131 | R | 96.1 | Very high | 95.2 | Very high | 138 Ų | 138 | 74.1 Ų | 74.1 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -58 | 175.4 | -67.1 | 167.1 | -176.2 | 148.6 | -6.1 | 111 | R127 Q128 R133 A134 E135 | R127-R131 WeakPolarHBondContact O-CG 3.46Å; R127-R131 PolarHBondContact O-N 3.41Å; Q128-R131 WeakPolarHBondContact O-CB 3.4Å; Q128-R131 PolarHBondContact O-N 3.17Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 3.27Å; R131-A134 WeakPolarHBondContact O-CA 3.36Å; R131-A134 WeakPolarHBondContact O-CB 3.39Å; R131-A134 PolarHBondContact O-N 3.29Å; R131-E135 PolarHBondContact O-N 2.75Å |
| 132 | V | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -34.8 | -174.4 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | Q128 A134 E135 L136 L202 V203 T206 | Q128-V132 WeakPolarHBondContact O-CG2 3.43Å; Q128-V132 PolarHBondContact O-N 2.88Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.03Å; V132-E135 PolarHBondContact O-N 3.44Å; V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 PolarHBondContact O-N 2.99Å; V132-L202 HydrophobicContact CB-CG 4.35Å; V132-L202 HydrophobicContact CG1-CD1 4.48Å; V132-L202 HydrophobicContact CG1-CD2 4.09Å; V132-L202 HydrophobicContact CG1-CG 3.88Å; V132-V203 HydrophobicContact CB-CG2 4.01Å; V132-V203 HydrophobicContact CG2-CB 4.34Å; V132-V203 HydrophobicContact CG2-CG2 3.86Å; V132-T206 HydrophobicContact CG2-CG2 3.96Å |
| 133 | R | 94.5 | Very high | 95 | Very high | 107 Ų | 107 | 72.9 Ų | 72.9 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.6 | -24.3 | 172 | -66.7 | 179 | -169.4 | -176.3 | 11.9 | 113.2 | T129 R131 K137 V203 E207 | T129-R133 VanDerWaalsContact CG2-NE 3.27Å; T129-R133 VanDerWaalsContact O-CB 3.26Å; T129-R133 WeakPolarHBondContact O-CB 3.47Å; T129-R133 WeakPolarHBondContact O-CG 3.32Å; T129-R133 PolarHBondContact O-N 3.3Å; T129-R133 VanDerWaalsContact O-N 3.16Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 3.27Å; R133-K137 VanDerWaalsContact O-CG 3.27Å; R133-K137 WeakPolarHBondContact O-CG 3.36Å; R133-K137 PolarHBondContact O-N 3.33Å; R133-V203 HydrophobicContact CG-CG1 4.11Å; R133-V203 HydrophobicContact CG-CG2 4.25Å; R133-E207 IonicContact CZ-OE1 2.7Å; R133-E207 IonicContact NE-OE1 2.68Å; R133-E207 IonicContact NH2-OE1 2.71Å; R133-E207 PolarHBondContact NH2-OE1 3.08Å |
| 134 | A | 95.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -77.3 | -38.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K130 R131 V132 K137 K138 | K130-A134 WeakPolarHBondContact O-CB 3.41Å; K130-A134 PolarHBondContact O-N 3.2Å; K130-A134 VanDerWaalsContact O-N 3.17Å; R131-A134 WeakPolarHBondContact O-CA 3.36Å; R131-A134 WeakPolarHBondContact O-CB 3.39Å; R131-A134 PolarHBondContact O-N 3.29Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.03Å; A134-K137 PolarHBondContact O-N 2.93Å; A134-K138 PolarHBondContact O-N 3.44Å |
| 135 | E | 95.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 75 Ų | 75 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 172.6 | -69.3 | 172.3 | -126.1 | 0 | 0 | 111.9 | R131 V132 K137 K138 A139 K199 | R131-E135 PolarHBondContact O-N 2.75Å; V132-E135 PolarHBondContact O-N 3.44Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.98Å; E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.24Å; E135-K138 VanDerWaalsContact O-N 3.11Å; E135-A139 PolarHBondContact O-N 2.7Å; E135-K199 HydrophobicContact CB-CD 4.16Å; E135-K199 IonicContact OE2-NZ 3.43Å; E135-K199 PolarHBondContact OE2-NZ 3.35Å |
| 136 | L | 95.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 75.5 Ų | 75.5 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 173.6 | 177.5 | 58.5 | 0 | 0 | 0 | 111.7 | V132 K138 A139 L140 V196 K199 K200 V203 | V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 PolarHBondContact O-N 2.99Å; L136-K138 PolarHBondContact O-N 2.87Å; L136-A139 PolarHBondContact O-N 3.44Å; L136-L140 HydrophobicContact CD1-CD1 4.13Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.97Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.41Å; L136-L140 VanDerWaalsContact O-CG 3.25Å; L136-L140 WeakPolarHBondContact O-CG 3.36Å; L136-L140 PolarHBondContact O-N 3.36Å; L136-V196 HydrophobicContact CD1-CG1 4.34Å; L136-K199 HydrophobicContact CB-CB 4.32Å; L136-K199 HydrophobicContact CD1-CB 4.16Å; L136-K200 HydrophobicContact CD1-CB 4.19Å; L136-V203 HydrophobicContact CB-CG2 4.21Å; L136-V203 HydrophobicContact CD2-CG2 3.95Å |
| 137 | K | 96 | Very high | 94.4 | Very high | 152 Ų | 152 | 78.3 Ų | 78.3 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.4 | -39.3 | 174 | -78.3 | 175.9 | 179.1 | -171.2 | 0 | 112.8 | R133 A134 E135 S141 | R133-K137 VanDerWaalsContact O-CG 3.27Å; R133-K137 WeakPolarHBondContact O-CG 3.36Å; R133-K137 PolarHBondContact O-N 3.33Å; A134-K137 PolarHBondContact O-N 2.93Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.98Å; K137-S141 PolarHBondContact O-N 3.31Å; K137-S141 PolarHBondContact O-OG 2.98Å |
| 138 | K | 96.2 | Very high | 94.2 | Very high | 138 Ų | 138 | 77.2 Ų | 77.2 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.6 | -53.2 | 173.9 | -172.7 | -166.4 | 171.4 | -157.1 | 0 | 110.8 | A134 E135 L136 L140 S141 E142 | A134-K138 PolarHBondContact O-N 3.44Å; E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.24Å; E135-K138 VanDerWaalsContact O-N 3.11Å; L136-K138 PolarHBondContact O-N 2.87Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.38Å; K138-S141 PolarHBondContact O-N 3.04Å; K138-S141 VanDerWaalsContact O-N 3.15Å; K138-S141 PolarHBondContact O-OG 3.11Å; K138-E142 PolarHBondContact O-N 3.26Å |
| 139 | A | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E135 L136 S141 E142 A143 E195 V196 K199 | E135-A139 PolarHBondContact O-N 2.7Å; L136-A139 PolarHBondContact O-N 3.44Å; A139-S141 PolarHBondContact O-N 2.81Å; A139-E142 PolarHBondContact O-N 3.03Å; A139-A143 PolarHBondContact O-N 2.91Å; A139-E195 HydrophobicContact CB-CG 4.09Å; A139-V196 VanDerWaalsContact C-CG2 3.5Å; A139-V196 HydrophobicContact CB-CG2 3.9Å; A139-V196 WeakPolarHBondContact O-CG2 3.46Å; A139-K199 HydrophobicContact CB-CB 4.42Å; A139-K199 HydrophobicContact CB-CG 4.21Å |
| 140 | L | 95 | Very high | 93.7 | Very high | 58 Ų | 58 | 78.9 Ų | 78.9 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.7 | -76.2 | 167 | 0 | 0 | 0 | 112.4 | M1 L136 K138 E142 A143 Q144 V196 | M1-L140 HydrophobicContact CE-CD2 3.7Å; M1-L140 HydrophobicContact SD-CD2 4.03Å; L136-L140 HydrophobicContact CD1-CD1 4.13Å; L136-L140 HydrophobicContact CD1-CG 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.97Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.41Å; L136-L140 VanDerWaalsContact O-CG 3.25Å; L136-L140 WeakPolarHBondContact O-CG 3.36Å; L136-L140 PolarHBondContact O-N 3.36Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.38Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 3.1Å; L140-A143 PolarHBondContact O-N 3.33Å; L140-Q144 WeakPolarHBondContact O-CB 3.46Å; L140-Q144 PolarHBondContact O-N 3.01Å; L140-V196 HydrophobicContact CD2-CG1 3.63Å; L140-V196 HydrophobicContact CD2-CG2 4.07Å; L140-V196 HydrophobicContact CG-CG1 4.27Å; L140-V196 HydrophobicContact CG-CG2 4.27Å |
| 141 | S | 94.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 75.1 Ų | 75.1 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 176.6 | 71.3 | 0 | 0 | 0 | 0 | 113.7 | K137 K138 A139 K145 | K137-S141 PolarHBondContact O-N 3.31Å; K137-S141 PolarHBondContact O-OG 2.98Å; K138-S141 PolarHBondContact O-N 3.04Å; K138-S141 VanDerWaalsContact O-N 3.15Å; K138-S141 PolarHBondContact O-OG 3.11Å; A139-S141 PolarHBondContact O-N 2.81Å; S141-K145 WeakPolarHBondContact O-CB 3.05Å; S141-K145 PolarHBondContact O-N 3.11Å |
| 142 | E | 94 | Very high | 92.6 | Very high | 57 Ų | 57 | 76 Ų | 76 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.6 | -45.1 | 174.3 | 176.9 | 126.2 | -154.9 | 0 | 0 | 110.8 | K138 A139 L140 Q144 K145 W146 A192 | K138-E142 PolarHBondContact O-N 3.26Å; A139-E142 PolarHBondContact O-N 3.03Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 3.1Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 3.36Å; E142-K145 WeakPolarHBondContact O-CB 3.06Å; E142-K145 PolarHBondContact O-N 3.37Å; E142-W146 PolarHBondContact O-N 3.45Å; E142-W146 PolarHBondContact OE1-NE1 3.42Å; E142-A192 HydrophobicContact CG-CB 4.33Å |
| 143 | A | 93.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 78 Ų | 78 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A139 L140 K145 W146 E147 A192 V196 | A139-A143 PolarHBondContact O-N 2.91Å; L140-A143 PolarHBondContact O-N 3.33Å; A143-K145 PolarHBondContact O-N 2.8Å; A143-W146 PolarHBondContact O-N 3Å; A143-W146 VanDerWaalsContact O-N 3.13Å; A143-E147 WeakPolarHBondContact O-CB 3.42Å; A143-E147 PolarHBondContact O-N 3Å; A143-A192 HydrophobicContact CB-CB 4.06Å; A143-V196 HydrophobicContact CB-CG2 3.81Å |
| 144 | Q | 93.6 | Very high | 89.8 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -28.7 | 176.9 | -155.3 | -160.7 | 41.6 | 0 | 0 | 113.2 | L140 E142 K148 | L140-Q144 WeakPolarHBondContact O-CB 3.46Å; L140-Q144 PolarHBondContact O-N 3.01Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-Q144 PolarHBondContact O-N 3.36Å; Q144-K148 HydrophobicContact CG-CD 4.42Å; Q144-K148 WeakPolarHBondContact O-CB 3.32Å; Q144-K148 WeakPolarHBondContact O-CD 3.36Å; Q144-K148 WeakPolarHBondContact O-CG 3.22Å; Q144-K148 PolarHBondContact O-N 3.28Å; Q144-K148 VanDerWaalsContact O-N 3.16Å |
| 145 | K | 94.4 | Very high | 88 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73 | -34.1 | 176.1 | 177.1 | -172.4 | 175.3 | -169.6 | 0 | 112 | S141 E142 A143 | S141-K145 WeakPolarHBondContact O-CB 3.05Å; S141-K145 PolarHBondContact O-N 3.11Å; E142-K145 WeakPolarHBondContact O-CB 3.06Å; E142-K145 PolarHBondContact O-N 3.37Å; A143-K145 PolarHBondContact O-N 2.8Å |
| 146 | W | 90.5 | Very high | 86.1 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 16% | 0.163 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -82.4 | -39 | 177 | -69.4 | 111.1 | 0 | 0 | 0 | 112.5 | E142 A143 K148 K149 A150 Q188 T189 | E142-W146 PolarHBondContact O-N 3.45Å; E142-W146 PolarHBondContact OE1-NE1 3.42Å; A143-W146 PolarHBondContact O-N 3Å; A143-W146 VanDerWaalsContact O-N 3.13Å; W146-K148 VanDerWaalsContact C-N 3.33Å; W146-K148 PolarHBondContact O-N 2.91Å; W146-K149 HydrophobicContact CD2-CD 4.23Å; W146-K149 HydrophobicContact CE3-CD 3.41Å; W146-K149 VanDerWaalsContact CE3-CD 3.41Å; W146-K149 HydrophobicContact CH2-CD 4.32Å; W146-K149 HydrophobicContact CZ3-CD 3.48Å; W146-K149 VanDerWaalsContact CZ3-CD 3.48Å; W146-K149 WeakPolarHBondContact O-CA 3.3Å; W146-K149 WeakPolarHBondContact O-CB 3.31Å; W146-K149 PolarHBondContact O-N 2.89Å; W146-A150 PolarHBondContact O-N 3.23Å; W146-Q188 HydrophobicContact CD2-CB 4.31Å; W146-Q188 HydrophobicContact CD2-CG 3.33Å; W146-Q188 HydrophobicContact CE3-CB 4.14Å; W146-Q188 HydrophobicContact CE3-CG 3.54Å; W146-Q188 HydrophobicContact CG-CG 3.88Å; W146-Q188 HydrophobicContact CH2-CG 3.77Å; W146-Q188 HydrophobicContact CZ2-CG 3.59Å; W146-Q188 HydrophobicContact CZ3-CB 4.32Å; W146-Q188 HydrophobicContact CZ3-CG 3.74Å; W146-T189 PolarHBondContact O-OG1 3.47Å |
| 147 | E | 89.2 | Confident | 84 | Confident | 114 Ų | 114 | 83 Ų | 83 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -50.9 | -49.8 | 167.2 | 178.8 | -174.6 | -138.6 | 0 | 0 | 111.6 | A143 K149 A150 A151 | A143-E147 WeakPolarHBondContact O-CB 3.42Å; A143-E147 PolarHBondContact O-N 3Å; E147-K149 PolarHBondContact O-N 3.14Å; E147-K149 VanDerWaalsContact O-N 3.17Å; E147-A150 PolarHBondContact O-N 3.45Å; E147-A151 WeakPolarHBondContact O-CB 3.48Å; E147-A151 PolarHBondContact O-N 2.99Å |
| 148 | K | 91.5 | Very high | 81.4 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.8 | -12.6 | 175.3 | -73.8 | 169.3 | -177.4 | 168.2 | 0 | 114.9 | Q144 W146 K152 | Q144-K148 HydrophobicContact CG-CD 4.42Å; Q144-K148 WeakPolarHBondContact O-CB 3.32Å; Q144-K148 WeakPolarHBondContact O-CD 3.36Å; Q144-K148 WeakPolarHBondContact O-CG 3.22Å; Q144-K148 PolarHBondContact O-N 3.28Å; Q144-K148 VanDerWaalsContact O-N 3.16Å; W146-K148 VanDerWaalsContact C-N 3.33Å; W146-K148 PolarHBondContact O-N 2.91Å; K148-K152 WeakPolarHBondContact O-CG 3.32Å |
| 149 | K | 90 | Very high | 78.9 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -90.2 | -46 | 169.6 | -76.2 | 175.4 | 165 | -164.4 | 0 | 111.1 | W146 E147 A151 K152 V153 I185 | W146-K149 HydrophobicContact CD2-CD 4.23Å; W146-K149 HydrophobicContact CE3-CD 3.41Å; W146-K149 VanDerWaalsContact CE3-CD 3.41Å; W146-K149 HydrophobicContact CH2-CD 4.32Å; W146-K149 HydrophobicContact CZ3-CD 3.48Å; W146-K149 VanDerWaalsContact CZ3-CD 3.48Å; W146-K149 WeakPolarHBondContact O-CA 3.3Å; W146-K149 WeakPolarHBondContact O-CB 3.31Å; W146-K149 PolarHBondContact O-N 2.89Å; E147-K149 PolarHBondContact O-N 3.14Å; E147-K149 VanDerWaalsContact O-N 3.17Å; K149-A151 VanDerWaalsContact C-N 3.29Å; K149-A151 PolarHBondContact O-N 3.37Å; K149-K152 WeakPolarHBondContact O-CB 3.28Å; K149-K152 PolarHBondContact O-N 3.36Å; K149-V153 PolarHBondContact O-N 3.1Å; K149-I185 HydrophobicContact CB-CG2 4Å |
| 150 | A | 85.9 | Confident | 76.4 | Confident | 37 Ų | 37 | 82.4 Ų | 82.4 | 31% | 0.306 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.7 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | W146 E147 K152 V153 G154 I185 | W146-A150 PolarHBondContact O-N 3.23Å; E147-A150 PolarHBondContact O-N 3.45Å; A150-K152 PolarHBondContact O-N 3.11Å; A150-K152 VanDerWaalsContact O-N 3.13Å; A150-V153 PolarHBondContact O-N 3.39Å; A150-V153 VanDerWaalsContact O-N 3.14Å; A150-G154 PolarHBondContact O-N 3.01Å; A150-G154 VanDerWaalsContact O-N 3.08Å; A150-I185 HydrophobicContact CB-CG2 3.91Å |
| 151 | A | 85.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -21.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E147 K149 V155 | E147-A151 WeakPolarHBondContact O-CB 3.48Å; E147-A151 PolarHBondContact O-N 2.99Å; K149-A151 VanDerWaalsContact C-N 3.29Å; K149-A151 PolarHBondContact O-N 3.37Å; A151-V155 WeakPolarHBondContact O-CG2 3.29Å |
| 152 | K | 83.2 | Confident | 71.7 | Confident | 156 Ų | 156 | 86.6 Ų | 86.6 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -85 | -35.2 | 175.1 | -72.9 | -176.1 | 175.6 | -166 | 0 | 112.9 | K148 K149 A150 | K148-K152 WeakPolarHBondContact O-CG 3.32Å; K149-K152 WeakPolarHBondContact O-CB 3.28Å; K149-K152 PolarHBondContact O-N 3.36Å; A150-K152 PolarHBondContact O-N 3.11Å; A150-K152 VanDerWaalsContact O-N 3.13Å |
| 153 | V | 70.5 | Confident | 69.4 | Low | 44 Ų | 44 | 90 Ų | 90 | 27% | 0.267 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.9 | -33.9 | 180 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | K149 A150 V155 T156 I185 | K149-V153 PolarHBondContact O-N 3.1Å; A150-V153 PolarHBondContact O-N 3.39Å; A150-V153 VanDerWaalsContact O-N 3.14Å; V153-V155 PolarHBondContact O-N 3.03Å; V153-T156 PolarHBondContact O-OG1 3.05Å; V153-I185 HydrophobicContact CG2-CD1 3.71Å |
| 154 | G | 59.9 | Low | 67.2 | Low | 67 Ų | 67 | 92.7 Ų | 92.7 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -13.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | A150 | A150-G154 PolarHBondContact O-N 3.01Å; A150-G154 VanDerWaalsContact O-N 3.08Å |
| 155 | V | 58.4 | Low | 65.3 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -15.7 | -172.9 | 168.8 | 0 | 0 | 0 | 0 | 113.3 | A151 V153 G157 | A151-V155 WeakPolarHBondContact O-CG2 3.29Å; V153-V155 PolarHBondContact O-N 3.03Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3.23Å |
| 156 | T | 54.9 | Low | 63.1 | Low | 124 Ų | 124 | 92.7 Ų | 92.7 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 2.6 | -175.7 | 53 | 0 | 0 | 0 | 0 | 115 | V153 | V153-T156 PolarHBondContact O-OG1 3.05Š|
| 157 | G | 51.4 | Low | 61.1 | Low | 72 Ų | 72 | 100 Ų | 100 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V155 | V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3.23Å |
| 158 | G | 42.2 | Very low | 59.2 | Low | 71 Ų | 71 | 97.9 Ų | 97.9 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | trans | -99 | 104.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 159 | S | 43.9 | Very low | 57.4 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -83 | 125.1 | 175.2 | -71 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 160 | G | 42.2 | Very low | 55.5 | Low | 75 Ų | 75 | 103.2 Ų | 103.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -135.2 | 101.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 161 | V | 48.2 | Very low | 54 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | trans | -52.1 | 136.1 | -167.6 | 178.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 162 | G | 43.4 | Very low | 52 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -157.5 | 104.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 163 | P | 46 | Very low | 50 | Low | 130 Ų | 130 | 109.2 Ų | 109.2 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | trans | -90.2 | 138.9 | -172 | 33.8 | -33.7 | 0 | 0 | 0 | 113.7 | ||||
| 164 | G | 47 | Very low | 48.6 | Very low | 75 Ų | 75 | 116.8 Ų | 116.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -161.3 | 55.3 | -172 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 165 | V | 53.7 | Low | 47.9 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 25 | 106.1 | 158.5 | -168.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 166 | G | 47.6 | Very low | 46.9 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -163.1 | 117.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | H | 47.9 | Very low | 46.1 | Very low | 195 Ų | 195 | 123.7 Ų | 123.7 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -89 | 141.2 | -177.8 | -70.8 | 25.2 | 0 | 0 | 0 | 111.7 | ||||
| 168 | G | 49.8 | Very low | 46.3 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -179.4 | 49.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 169 | I | 54.9 | Low | 47.1 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 130.7 | 162.8 | -54 | 175.9 | 0 | 0 | 0 | 117 | ||||
| 170 | I | 48.8 | Very low | 48.2 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 124.7 | 173.7 | -62.4 | 167.5 | 0 | 0 | 0 | 110.3 | ||
| 171 | P | 55.1 | Low | 49.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -92 | 145.4 | 149.1 | -12.1 | 30.5 | 0 | 0 | 0 | 110.9 | ||
| 172 | H | 42.7 | Very low | 50.7 | Low | 182 Ų | 182 | 123.3 Ų | 123.3 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 148 | -166.6 | -147.3 | -100.2 | 0 | 0 | 0 | 114 | ||
| 173 | A | 42.8 | Very low | 52.4 | Low | 80 Ų | 80 | 125.6 Ų | 125.6 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | 77.6 | 150.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 174 | K | 41.1 | Very low | 54.3 | Low | 203 Ų | 203 | 121.9 Ų | 121.9 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | 74.7 | 89.3 | 164.2 | -54.4 | -177.9 | -176.1 | -179.5 | 0 | 119.1 | ||||
| 175 | H | 43.4 | Very low | 56.3 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | -160.1 | 138.8 | 100.8 | -140.2 | -73.6 | 0 | 0 | 0 | 111.4 | |||||
| 176 | M | 37.7 | Very low | 57.8 | Low | 183 Ų | 183 | 114.1 Ų | 114.1 | 90% | 0.901 | 66% | 0.664 | S | S | * | * | trans | -102.3 | 113.9 | 157.6 | -61.3 | -162.2 | 81.3 | 0 | 0 | 107.2 | ||||
| 177 | C | 38.1 | Very low | 59.9 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | trans | -172.5 | 111.7 | 169.8 | -101.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 178 | S | 55.7 | Low | 61.9 | Low | 88 Ų | 88 | 109.5 Ų | 109.5 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | trans | -145.1 | -41.2 | 175.8 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | S180 | S178-S180 PolarHBondContact O-N 2.94Š| ||
| 179 | N | 59.8 | Low | 63.9 | Low | 122 Ų | 122 | 107.7 Ų | 107.7 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67 | -33.2 | -177.7 | -63.3 | 7.4 | 0 | 0 | 0 | 113.3 | E181 N183 | N179-E181 PolarHBondContact O-N 3.18Å; N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 VanDerWaalsContact O-N 3.11Å |
| 180 | S | 66 | Low | 65.6 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -35.4 | -175.2 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | S178 A184 | S178-S180 PolarHBondContact O-N 2.94Å; S180-A184 WeakPolarHBondContact O-CB 3.44Å; S180-A184 PolarHBondContact O-N 3.44Å; S180-A184 VanDerWaalsContact O-N 3.13Å |
| 181 | E | 69.5 | Low | 67.8 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.6 | -39.5 | -179 | -171.8 | 174 | 176.9 | 0 | 0 | 111.2 | N179 A184 I185 | N179-E181 PolarHBondContact O-N 3.18Å; E181-A184 PolarHBondContact O-N 2.68Å; E181-I185 HydrophobicContact CG-CD1 3.89Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 3.22Å |
| 182 | S | 73.9 | Confident | 69.7 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 173.4 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | A184 I185 G186 | S182-A184 PolarHBondContact O-N 2.87Å; S182-I185 PolarHBondContact O-N 3.22Å; S182-G186 PolarHBondContact O-N 3.5Å |
| 183 | N | 79.4 | Confident | 72.1 | Confident | 118 Ų | 118 | 89.2 Ų | 89.2 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 177.9 | -71.9 | -2.1 | 0 | 0 | 0 | 112.3 | N179 G186 L187 | N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 VanDerWaalsContact O-N 3.11Å; N183-G186 PolarHBondContact O-N 2.96Å; N183-L187 WeakPolarHBondContact O-CB 3.46Å; N183-L187 PolarHBondContact O-N 2.9Å |
| 184 | A | 86.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | S180 E181 S182 Q188 | S180-A184 WeakPolarHBondContact O-CB 3.44Å; S180-A184 PolarHBondContact O-N 3.44Å; S180-A184 VanDerWaalsContact O-N 3.13Å; E181-A184 PolarHBondContact O-N 2.68Å; S182-A184 PolarHBondContact O-N 2.87Å; A184-Q188 VanDerWaalsContact O-CB 3.3Å; A184-Q188 WeakPolarHBondContact O-CB 3.22Å; A184-Q188 PolarHBondContact O-N 3.39Å |
| 185 | I | 87.8 | Confident | 77.1 | Confident | 16 Ų | 16 | 86.9 Ų | 86.9 | 8% | 0.082 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 177.9 | -70.5 | 165.8 | 0 | 0 | 0 | 111.3 | K149 A150 V153 E181 S182 T189 | K149-I185 HydrophobicContact CB-CG2 4Å; A150-I185 HydrophobicContact CB-CG2 3.91Å; V153-I185 HydrophobicContact CG2-CD1 3.71Å; E181-I185 HydrophobicContact CG-CD1 3.89Å; E181-I185 WeakPolarHBondContact O-CG1 3.43Å; E181-I185 PolarHBondContact O-N 3.22Å; S182-I185 PolarHBondContact O-N 3.22Å; I185-T189 WeakPolarHBondContact O-CB 3.4Å; I185-T189 PolarHBondContact O-N 3.06Å; I185-T189 PolarHBondContact O-OG1 3.42Å |
| 186 | G | 86.8 | Confident | 79.6 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -52.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | S182 N183 Q188 T189 A190 | S182-G186 PolarHBondContact O-N 3.5Å; N183-G186 PolarHBondContact O-N 2.96Å; G186-Q188 VanDerWaalsContact C-N 3.34Å; G186-Q188 PolarHBondContact O-N 2.9Å; G186-T189 PolarHBondContact O-N 2.97Å; G186-T189 VanDerWaalsContact O-N 3.17Å; G186-A190 PolarHBondContact O-N 3.21Å |
| 187 | L | 89.9 | Confident | 82.3 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.5 | -43.7 | 177.5 | 178.1 | 61.3 | 0 | 0 | 0 | 112.4 | N183 A190 K191 | N183-L187 WeakPolarHBondContact O-CB 3.46Å; N183-L187 PolarHBondContact O-N 2.9Å; L187-A190 PolarHBondContact O-N 3.36Å; L187-K191 PolarHBondContact O-N 3.04Å |
| 188 | Q | 91.2 | Very high | 85.1 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 22% | 0.22 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.9 | -30.8 | 179.2 | -180 | 58.6 | 37.5 | 0 | 0 | 112.6 | W146 A184 G186 K191 A192 | W146-Q188 HydrophobicContact CD2-CB 4.31Å; W146-Q188 HydrophobicContact CD2-CG 3.33Å; W146-Q188 HydrophobicContact CE3-CB 4.14Å; W146-Q188 HydrophobicContact CE3-CG 3.54Å; W146-Q188 HydrophobicContact CG-CG 3.88Å; W146-Q188 HydrophobicContact CH2-CG 3.77Å; W146-Q188 HydrophobicContact CZ2-CG 3.59Å; W146-Q188 HydrophobicContact CZ3-CB 4.32Å; W146-Q188 HydrophobicContact CZ3-CG 3.74Å; A184-Q188 VanDerWaalsContact O-CB 3.3Å; A184-Q188 WeakPolarHBondContact O-CB 3.22Å; A184-Q188 PolarHBondContact O-N 3.39Å; G186-Q188 VanDerWaalsContact C-N 3.34Å; G186-Q188 PolarHBondContact O-N 2.9Å; Q188-K191 PolarHBondContact O-N 3.42Å; Q188-A192 PolarHBondContact O-N 3.31Å |
| 189 | T | 90.8 | Very high | 87 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 20% | 0.202 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 171.3 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | W146 I185 G186 K191 A192 A193 | W146-T189 PolarHBondContact O-OG1 3.47Å; I185-T189 WeakPolarHBondContact O-CB 3.4Å; I185-T189 PolarHBondContact O-N 3.06Å; I185-T189 PolarHBondContact O-OG1 3.42Å; G186-T189 PolarHBondContact O-N 2.97Å; G186-T189 VanDerWaalsContact O-N 3.17Å; T189-K191 VanDerWaalsContact C-N 3.33Å; T189-K191 PolarHBondContact O-N 3.35Å; T189-A192 PolarHBondContact O-N 2.94Å; T189-A193 WeakPolarHBondContact O-CB 3.43Å; T189-A193 PolarHBondContact O-N 3.4Å |
| 190 | A | 92.1 | Very high | 88.6 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G186 L187 R194 | G186-A190 PolarHBondContact O-N 3.21Å; L187-A190 PolarHBondContact O-N 3.36Å; A190-R194 WeakPolarHBondContact O-CG 3.39Å; A190-R194 PolarHBondContact O-N 2.88Å; A190-R194 VanDerWaalsContact O-N 3.08Å |
| 191 | K | 94.4 | Very high | 89.9 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 172.6 | -175.8 | -179 | 176.8 | -179.5 | 0 | 111.6 | L187 Q188 T189 A193 R194 E195 | L187-K191 PolarHBondContact O-N 3.04Å; Q188-K191 PolarHBondContact O-N 3.42Å; T189-K191 VanDerWaalsContact C-N 3.33Å; T189-K191 PolarHBondContact O-N 3.35Å; K191-A193 VanDerWaalsContact C-N 3.32Å; K191-A193 PolarHBondContact O-N 2.68Å; K191-R194 PolarHBondContact O-N 2.92Å; K191-E195 PolarHBondContact O-N 3.42Å |
| 192 | A | 94.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.9 | -34.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E142 A143 Q188 T189 E195 V196 | E142-A192 HydrophobicContact CG-CB 4.33Å; A143-A192 HydrophobicContact CB-CB 4.06Å; Q188-A192 PolarHBondContact O-N 3.31Å; T189-A192 PolarHBondContact O-N 2.94Å; A192-E195 PolarHBondContact O-N 2.96Å; A192-V196 WeakPolarHBondContact O-CG2 3.36Å; A192-V196 PolarHBondContact O-N 3.18Å; A192-V196 VanDerWaalsContact O-N 3.09Å |
| 193 | A | 93.8 | Very high | 92 | Very high | 59 Ų | 59 | 66 Ų | 66 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | T189 K191 V196 G197 | T189-A193 WeakPolarHBondContact O-CB 3.43Å; T189-A193 PolarHBondContact O-N 3.4Å; K191-A193 VanDerWaalsContact C-N 3.32Å; K191-A193 PolarHBondContact O-N 2.68Å; A193-V196 PolarHBondContact O-N 3.21Å; A193-G197 PolarHBondContact O-N 2.82Å |
| 194 | R | 94.5 | Very high | 92.5 | Very high | 171 Ų | 171 | 62.9 Ų | 62.9 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 173.2 | -73.9 | -168.9 | -65.8 | 147 | -5.4 | 112.4 | A190 K191 V196 G197 I198 | A190-R194 WeakPolarHBondContact O-CG 3.39Å; A190-R194 PolarHBondContact O-N 2.88Å; A190-R194 VanDerWaalsContact O-N 3.08Å; K191-R194 PolarHBondContact O-N 2.92Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 3.31Å; R194-G197 WeakPolarHBondContact O-CA 3.48Å; R194-G197 PolarHBondContact O-N 3.34Å; R194-G197 VanDerWaalsContact O-N 3.09Å; R194-I198 WeakPolarHBondContact O-CG1 3.25Å; R194-I198 PolarHBondContact O-N 2.68Å |
| 195 | E | 94.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.6 | -169.6 | -178 | 157 | 0 | 0 | 112 | A139 K191 A192 G197 I198 K199 | A139-E195 HydrophobicContact CB-CG 4.09Å; K191-E195 PolarHBondContact O-N 3.42Å; A192-E195 PolarHBondContact O-N 2.96Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 3.08Å; E195-I198 PolarHBondContact O-N 3.21Å; E195-K199 HydrophobicContact CG-CG 4.35Å; E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 PolarHBondContact O-N 3.31Å |
| 196 | V | 95.2 | Very high | 93.2 | Very high | 20 Ų | 20 | 63.6 Ų | 63.6 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 172.6 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | L136 A139 L140 A143 A192 A193 R194 K200 | L136-V196 HydrophobicContact CD1-CG1 4.34Å; A139-V196 VanDerWaalsContact C-CG2 3.5Å; A139-V196 HydrophobicContact CB-CG2 3.9Å; A139-V196 WeakPolarHBondContact O-CG2 3.46Å; L140-V196 HydrophobicContact CD2-CG1 3.63Å; L140-V196 HydrophobicContact CD2-CG2 4.07Å; L140-V196 HydrophobicContact CG-CG1 4.27Å; L140-V196 HydrophobicContact CG-CG2 4.27Å; A143-V196 HydrophobicContact CB-CG2 3.81Å; A192-V196 WeakPolarHBondContact O-CG2 3.36Å; A192-V196 PolarHBondContact O-N 3.18Å; A192-V196 VanDerWaalsContact O-N 3.09Å; A193-V196 PolarHBondContact O-N 3.21Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 3.31Å; V196-K200 WeakPolarHBondContact O-CB 3.43Å; V196-K200 PolarHBondContact O-N 3.48Å |
| 197 | G | 94.5 | Very high | 93.4 | Very high | 37 Ų | 37 | 62 Ų | 62 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.1 | -54.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A193 R194 E195 K199 K200 E201 | A193-G197 PolarHBondContact O-N 2.82Å; R194-G197 WeakPolarHBondContact O-CA 3.48Å; R194-G197 PolarHBondContact O-N 3.34Å; R194-G197 VanDerWaalsContact O-N 3.09Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 3.08Å; G197-K199 PolarHBondContact O-N 2.98Å; G197-K200 WeakPolarHBondContact O-CB 3.47Å; G197-K200 PolarHBondContact O-N 2.9Å; G197-E201 PolarHBondContact O-N 3.01Å |
| 198 | I | 95.8 | Very high | 93.6 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 56% | 0.564 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 179.9 | -63.2 | 164.2 | 0 | 0 | 0 | 111.1 | R194 E195 K200 E201 L202 | R194-I198 WeakPolarHBondContact O-CG1 3.25Å; R194-I198 PolarHBondContact O-N 2.68Å; E195-I198 PolarHBondContact O-N 3.21Å; I198-K200 VanDerWaalsContact C-N 3.29Å; I198-K200 PolarHBondContact O-N 3.32Å; I198-E201 PolarHBondContact O-N 2.97Å; I198-L202 WeakPolarHBondContact O-CB 3.38Å; I198-L202 PolarHBondContact O-N 3.02Å |
| 199 | K | 95.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 19% | 0.191 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -23.2 | 179.9 | -65.4 | -59.4 | -176.3 | -179.6 | 0 | 113.2 | E135 L136 A139 E195 G197 L202 V203 | E135-K199 HydrophobicContact CB-CD 4.16Å; E135-K199 IonicContact OE2-NZ 3.43Å; E135-K199 PolarHBondContact OE2-NZ 3.35Å; L136-K199 HydrophobicContact CB-CB 4.32Å; L136-K199 HydrophobicContact CD1-CB 4.16Å; A139-K199 HydrophobicContact CB-CB 4.42Å; A139-K199 HydrophobicContact CB-CG 4.21Å; E195-K199 HydrophobicContact CG-CG 4.35Å; E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 PolarHBondContact O-N 3.31Å; G197-K199 PolarHBondContact O-N 2.98Å; K199-L202 HydrophobicContact CD-CD2 3.94Å; K199-V203 WeakPolarHBondContact O-CG2 3.4Å; K199-V203 PolarHBondContact O-N 2.86Å |
| 200 | K | 94.1 | Very high | 93.8 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.1 | -47.6 | 171.7 | 175.3 | -164.1 | 172.8 | -160.3 | 0 | 110.7 | S4 L136 V196 G197 I198 L202 V203 E204 | S4-K200 VanDerWaalsContact CB-NZ 3.34Å; S4-K200 WeakPolarHBondContact OG-CE 3.47Å; S4-K200 PolarHBondContact OG-NZ 3.47Å; L136-K200 HydrophobicContact CD1-CB 4.19Å; V196-K200 WeakPolarHBondContact O-CB 3.43Å; V196-K200 PolarHBondContact O-N 3.48Å; G197-K200 WeakPolarHBondContact O-CB 3.47Å; G197-K200 PolarHBondContact O-N 2.9Å; I198-K200 VanDerWaalsContact C-N 3.29Å; I198-K200 PolarHBondContact O-N 3.32Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 3.41Å; K200-V203 WeakPolarHBondContact O-CB 3.49Å; K200-V203 PolarHBondContact O-N 3.01Å; K200-V203 VanDerWaalsContact O-N 3.14Å; K200-E204 PolarHBondContact O-N 2.93Å |
| 201 | E | 93.6 | Very high | 94 | Very high | 112 Ų | 112 | 58.3 Ų | 58.3 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.8 | -159.1 | -156.2 | 133.5 | 0 | 0 | 111.5 | G197 I198 V203 E204 N205 | G197-E201 PolarHBondContact O-N 3.01Å; I198-E201 PolarHBondContact O-N 2.97Å; E201-V203 VanDerWaalsContact C-N 3.28Å; E201-V203 PolarHBondContact O-N 3.27Å; E201-E204 PolarHBondContact O-N 3.33Å; E201-E204 VanDerWaalsContact O-N 3.08Å; E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 PolarHBondContact O-N 2.9Å; E201-N205 PolarHBondContact OE1-ND2 2.74Å |
| 202 | L | 93.9 | Very high | 94 | Very high | 63 Ų | 63 | 59 Ų | 59 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 174.6 | -179.4 | 61.2 | 0 | 0 | 0 | 113.2 | V132 I198 K199 K200 T206 | V132-L202 HydrophobicContact CB-CG 4.35Å; V132-L202 HydrophobicContact CG1-CD1 4.48Å; V132-L202 HydrophobicContact CG1-CD2 4.09Å; V132-L202 HydrophobicContact CG1-CG 3.88Å; I198-L202 WeakPolarHBondContact O-CB 3.38Å; I198-L202 PolarHBondContact O-N 3.02Å; K199-L202 HydrophobicContact CD-CD2 3.94Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 3.41Å; L202-T206 VanDerWaalsContact O-CB 3.26Å; L202-T206 WeakPolarHBondContact O-CB 3.49Å; L202-T206 PolarHBondContact O-N 2.87Å; L202-T206 PolarHBondContact O-OG1 3.29Å |
| 203 | V | 93 | Very high | 94.1 | Very high | 22 Ų | 22 | 63 Ų | 63 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -47.5 | 172.8 | 175 | 0 | 0 | 0 | 0 | 110.3 | V132 R133 L136 K199 K200 E201 T206 E207 | V132-V203 HydrophobicContact CB-CG2 4.01Å; V132-V203 HydrophobicContact CG2-CB 4.34Å; V132-V203 HydrophobicContact CG2-CG2 3.86Å; R133-V203 HydrophobicContact CG-CG1 4.11Å; R133-V203 HydrophobicContact CG-CG2 4.25Å; L136-V203 HydrophobicContact CB-CG2 4.21Å; L136-V203 HydrophobicContact CD2-CG2 3.95Å; K199-V203 WeakPolarHBondContact O-CG2 3.4Å; K199-V203 PolarHBondContact O-N 2.86Å; K200-V203 WeakPolarHBondContact O-CB 3.49Å; K200-V203 PolarHBondContact O-N 3.01Å; K200-V203 VanDerWaalsContact O-N 3.14Å; E201-V203 VanDerWaalsContact C-N 3.28Å; E201-V203 PolarHBondContact O-N 3.27Å; V203-T206 WeakPolarHBondContact O-CB 3.45Å; V203-T206 PolarHBondContact O-N 2.98Å; V203-E207 WeakPolarHBondContact O-CG 3.31Å; V203-E207 PolarHBondContact O-N 3.1Å |
| 204 | E | 91.3 | Very high | 94.3 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | -178.8 | -166.2 | 179.9 | 141.2 | 0 | 0 | 112 | K200 E201 T206 E207 K208 | K200-E204 PolarHBondContact O-N 2.93Å; E201-E204 PolarHBondContact O-N 3.33Å; E201-E204 VanDerWaalsContact O-N 3.08Å; E204-T206 VanDerWaalsContact C-N 3.3Å; E204-T206 PolarHBondContact O-N 3.18Å; E204-E207 PolarHBondContact O-N 3.29Å; E204-K208 HydrophobicContact CG-CD 4.28Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 VanDerWaalsContact O-CG 3.32Å; E204-K208 WeakPolarHBondContact O-CG 3.16Å; E204-K208 PolarHBondContact O-N 3.3Å; E204-K208 VanDerWaalsContact OE1-CE 3.24Å; E204-K208 WeakPolarHBondContact OE1-CE 3.35Å; E204-K208 IonicContact OE1-NZ 2.72Å; E204-K208 PolarHBondContact OE1-NZ 3.04Å |
| 205 | N | 93.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -32.3 | 175.7 | -71.2 | -21.3 | 0 | 0 | 0 | 112.1 | E201 S209 | E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 PolarHBondContact O-N 2.9Å; E201-N205 PolarHBondContact OE1-ND2 2.74Å; N205-S209 WeakPolarHBondContact O-CB 3.32Å; N205-S209 PolarHBondContact O-N 3.45Å |
| 206 | T | 93.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 172.6 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | Q128 V132 L202 V203 E204 S209 A210 | Q128-T206 HydrophobicContact CB-CG2 4.2Å; Q128-T206 HydrophobicContact CG-CG2 3.65Å; V132-T206 HydrophobicContact CG2-CG2 3.96Å; L202-T206 VanDerWaalsContact O-CB 3.26Å; L202-T206 WeakPolarHBondContact O-CB 3.49Å; L202-T206 PolarHBondContact O-N 2.87Å; L202-T206 PolarHBondContact O-OG1 3.29Å; V203-T206 WeakPolarHBondContact O-CB 3.45Å; V203-T206 PolarHBondContact O-N 2.98Å; E204-T206 VanDerWaalsContact C-N 3.3Å; E204-T206 PolarHBondContact O-N 3.18Å; T206-S209 PolarHBondContact O-N 3.22Å; T206-A210 PolarHBondContact O-N 3.41Å |
| 207 | E | 92.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 179.6 | -58.6 | -66.2 | 173.7 | 0 | 0 | 111 | V11 V12 T129 R133 V203 E204 S209 A210 M211 | V11-E207 HydrophobicContact CG1-CB 3.89Å; V12-E207 HydrophobicContact CG2-CB 4.3Å; V12-E207 HydrophobicContact CG2-CG 3.78Å; T129-E207 WeakPolarHBondContact CG2-OE1 3.46Å; T129-E207 PolarHBondContact OG1-OE1 2.79Å; T129-E207 PolarHBondContact OG1-OE2 3.04Å; R133-E207 IonicContact CZ-OE1 2.7Å; R133-E207 IonicContact NE-OE1 2.68Å; R133-E207 IonicContact NH2-OE1 2.71Å; R133-E207 PolarHBondContact NH2-OE1 3.08Å; V203-E207 WeakPolarHBondContact O-CG 3.31Å; V203-E207 PolarHBondContact O-N 3.1Å; E204-E207 PolarHBondContact O-N 3.29Å; E207-S209 VanDerWaalsContact C-N 3.32Å; E207-S209 PolarHBondContact O-N 3.14Å; E207-A210 PolarHBondContact O-N 3.04Å; E207-M211 WeakPolarHBondContact O-CB 3.46Å; E207-M211 PolarHBondContact O-N 3.5Å |
| 208 | K | 93.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 173 | -73.9 | 174.3 | 179 | 171 | 0 | 112.3 | V11 E204 R212 | V11-K208 HydrophobicContact CG1-CG 4.29Å; V11-K208 HydrophobicContact CG2-CG 4.42Å; E204-K208 HydrophobicContact CG-CD 4.28Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 VanDerWaalsContact O-CG 3.32Å; E204-K208 WeakPolarHBondContact O-CG 3.16Å; E204-K208 PolarHBondContact O-N 3.3Å; E204-K208 VanDerWaalsContact OE1-CE 3.24Å; E204-K208 WeakPolarHBondContact OE1-CE 3.35Å; E204-K208 IonicContact OE1-NZ 2.72Å; E204-K208 PolarHBondContact OE1-NZ 3.04Å; K208-R212 WeakPolarHBondContact O-CG 3.35Å; K208-R212 PolarHBondContact O-N 3.03Å; K208-R212 VanDerWaalsContact O-N 3.11Å |
| 209 | S | 93.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 44% | 0.441 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 176.2 | -173 | 0 | 0 | 0 | 0 | 111.8 | N205 T206 E207 M211 R212 L213 | N205-S209 WeakPolarHBondContact O-CB 3.32Å; N205-S209 PolarHBondContact O-N 3.45Å; T206-S209 PolarHBondContact O-N 3.22Å; E207-S209 VanDerWaalsContact C-N 3.32Å; E207-S209 PolarHBondContact O-N 3.14Å; S209-M211 VanDerWaalsContact C-N 3.34Å; S209-M211 PolarHBondContact O-N 3.23Å; S209-R212 PolarHBondContact O-N 3.47Å; S209-L213 PolarHBondContact O-N 3.42Å; S209-L213 VanDerWaalsContact O-N 3.07Å |
| 210 | A | 93.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 62 Ų | 62 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R125 T206 E207 L213 L214 | R125-A210 HydrophobicContact CB-CB 4.18Å; R125-A210 HydrophobicContact CG-CB 3.71Å; T206-A210 PolarHBondContact O-N 3.41Å; E207-A210 PolarHBondContact O-N 3.04Å; A210-L213 PolarHBondContact O-N 3.43Å; A210-L214 WeakPolarHBondContact O-CG 3.46Å; A210-L214 PolarHBondContact O-N 2.98Å; A210-L214 VanDerWaalsContact O-N 3.15Å |
| 211 | M | 94.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.9 | -171.9 | -178.6 | 73.7 | 0 | 0 | 111.8 | V11 I14 A15 L18 E207 S209 L213 L214 L215 | V11-M211 HydrophobicContact CG1-CB 4.28Å; V11-M211 HydrophobicContact CG1-CE 4.49Å; V11-M211 HydrophobicContact CG1-SD 3.99Å; I14-M211 HydrophobicContact CB-SD 4.13Å; I14-M211 HydrophobicContact CG2-CG 4.32Å; I14-M211 HydrophobicContact CG2-SD 3.72Å; A15-M211 HydrophobicContact CB-CB 4.33Å; L18-M211 HydrophobicContact CD1-CG 4.29Å; E207-M211 WeakPolarHBondContact O-CB 3.46Å; E207-M211 PolarHBondContact O-N 3.5Å; S209-M211 VanDerWaalsContact C-N 3.34Å; S209-M211 PolarHBondContact O-N 3.23Å; M211-L213 VanDerWaalsContact C-N 3.31Å; M211-L213 PolarHBondContact O-N 3.04Å; M211-L214 PolarHBondContact O-N 3.48Å; M211-L215 HydrophobicContact CG-CD1 4.23Å; M211-L215 WeakPolarHBondContact O-CG 3.1Å; M211-L215 PolarHBondContact O-N 3.11Å |
| 212 | R | 96 | Very high | 95.1 | Very high | 127 Ų | 127 | 57.6 Ų | 57.6 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.4 | -74.2 | 176.2 | 178.8 | 116.4 | -10.9 | 112.2 | K208 S209 L215 L216 | K208-R212 WeakPolarHBondContact O-CG 3.35Å; K208-R212 PolarHBondContact O-N 3.03Å; K208-R212 VanDerWaalsContact O-N 3.11Å; S209-R212 PolarHBondContact O-N 3.47Å; R212-L215 PolarHBondContact O-N 2.9Å; R212-L216 WeakPolarHBondContact O-CB 3.35Å; R212-L216 VanDerWaalsContact O-CG 3.28Å; R212-L216 WeakPolarHBondContact O-CG 3.24Å; R212-L216 PolarHBondContact O-N 3.12Å |
| 213 | L | 96.5 | Very high | 95.3 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 177 | -68.7 | 174.1 | 0 | 0 | 0 | 112.9 | L121 S209 A210 M211 E217 | L121-L213 HydrophobicContact CD2-CB 4.24Å; L121-L213 HydrophobicContact CD2-CD1 4.45Å; S209-L213 PolarHBondContact O-N 3.42Å; S209-L213 VanDerWaalsContact O-N 3.07Å; A210-L213 PolarHBondContact O-N 3.43Å; M211-L213 VanDerWaalsContact C-N 3.31Å; M211-L213 PolarHBondContact O-N 3.04Å; L213-E217 WeakPolarHBondContact O-CB 3.41Å; L213-E217 PolarHBondContact O-N 3.12Å |
| 214 | L | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 174.9 | -69.8 | 168.3 | 0 | 0 | 0 | 112 | A15 L18 L19 L22 L118 A210 M211 L216 E217 E218 | A15-L214 HydrophobicContact CB-CD1 4.04Å; A15-L214 WeakPolarHBondContact O-CD1 3.44Å; L18-L214 HydrophobicContact CB-CB 4.49Å; L19-L214 HydrophobicContact CB-CD1 4.46Å; L19-L214 HydrophobicContact CD1-CD2 4.4Å; L22-L214 HydrophobicContact CD1-CD2 4.31Å; L118-L214 HydrophobicContact CD1-CD2 3.83Å; A210-L214 WeakPolarHBondContact O-CG 3.46Å; A210-L214 PolarHBondContact O-N 2.98Å; A210-L214 VanDerWaalsContact O-N 3.15Å; M211-L214 PolarHBondContact O-N 3.48Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.37Å; L214-E217 PolarHBondContact O-N 3.12Å; L214-E218 WeakPolarHBondContact O-CB 3.48Å; L214-E218 PolarHBondContact O-N 3.11Å |
| 215 | L | 96.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 175.9 | -69.7 | 166.9 | 0 | 0 | 0 | 112.7 | L18 M211 R212 R219 | L18-L215 HydrophobicContact CD1-CD2 3.64Å; L18-L215 HydrophobicContact CD1-CG 3.83Å; L18-L215 HydrophobicContact CD2-CD2 4Å; L18-L215 HydrophobicContact CG-CD2 4.49Å; M211-L215 HydrophobicContact CG-CD1 4.23Å; M211-L215 WeakPolarHBondContact O-CG 3.1Å; M211-L215 PolarHBondContact O-N 3.11Å; R212-L215 PolarHBondContact O-N 2.9Å; L215-R219 WeakPolarHBondContact O-CB 3.35Å; L215-R219 PolarHBondContact O-N 2.97Å |
| 216 | L | 97.3 | Very high | 96.1 | Very high | 111 Ų | 111 | 58.6 Ų | 58.6 | 58% | 0.581 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -73 | -41.6 | 174.7 | -72.4 | 170 | 0 | 0 | 0 | 112.3 | R212 L214 S220 | R212-L216 WeakPolarHBondContact O-CB 3.35Å; R212-L216 VanDerWaalsContact O-CG 3.28Å; R212-L216 WeakPolarHBondContact O-CG 3.24Å; R212-L216 PolarHBondContact O-N 3.12Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.37Å; L216-S220 VanDerWaalsContact O-CB 3.29Å; L216-S220 WeakPolarHBondContact O-CB 3.3Å; L216-S220 PolarHBondContact O-N 2.93Å |
| 217 | E | 95.9 | Very high | 96.3 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 171.5 | 167.9 | 71 | -158.1 | 0 | 0 | 110.2 | L22 L118 L121 L213 L214 S220 R221 | L22-E217 HydrophobicContact CD1-CG 4.48Å; L118-E217 HydrophobicContact CD1-CG 4.46Å; L121-E217 HydrophobicContact CD1-CB 3.87Å; L121-E217 HydrophobicContact CD1-CG 4Å; L213-E217 WeakPolarHBondContact O-CB 3.41Å; L213-E217 PolarHBondContact O-N 3.12Å; L214-E217 PolarHBondContact O-N 3.12Å; E217-S220 PolarHBondContact O-N 3.36Å; E217-S220 PolarHBondContact O-OG 2.67Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.11Å; E217-R221 IonicContact OE1-CZ 2.68Å; E217-R221 VanDerWaalsContact OE1-CZ 3.24Å; E217-R221 IonicContact OE1-NE 3.39Å; E217-R221 PolarHBondContact OE1-NE 3.46Å; E217-R221 IonicContact OE1-NH2 3.12Å; E217-R221 PolarHBondContact OE1-NH2 2.86Å |
| 218 | E | 96.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.8 | -58.9 | 174.6 | -178 | 167.6 | -118 | 0 | 0 | 112.6 | L22 L214 S220 R221 F222 | L22-E218 HydrophobicContact CD1-CB 4.28Å; L22-E218 HydrophobicContact CD2-CB 3.78Å; L22-E218 HydrophobicContact CD2-CG 4.04Å; L22-E218 HydrophobicContact CG-CB 4.48Å; L214-E218 WeakPolarHBondContact O-CB 3.48Å; L214-E218 PolarHBondContact O-N 3.11Å; E218-S220 PolarHBondContact O-N 3.35Å; E218-R221 WeakPolarHBondContact O-CB 3.46Å; E218-R221 PolarHBondContact O-N 3.35Å; E218-R221 VanDerWaalsContact O-N 3.07Å; E218-F222 HydrophobicContact CG-CD2 4.36Å; E218-F222 HydrophobicContact CG-CE2 3.96Å; E218-F222 WeakPolarHBondContact O-CD2 3.41Å |
| 219 | R | 97.5 | Very high | 96.7 | Very high | 175 Ų | 175 | 61 Ų | 61 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -37.3 | 178.8 | -177.2 | 175.8 | 175.9 | 85.1 | 2.2 | 111.9 | L215 R221 F222 C223 | L215-R219 WeakPolarHBondContact O-CB 3.35Å; L215-R219 PolarHBondContact O-N 2.97Å; R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 3.29Å; R219-F222 PolarHBondContact O-N 3.21Å; R219-C223 WeakPolarHBondContact O-CB 3.44Å; R219-C223 PolarHBondContact O-N 3.47Å; R219-C223 PolarHBondContact O-SG 3.2Å |
| 220 | S | 97.1 | Very high | 96.8 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | -179.9 | 80.7 | 0 | 0 | 0 | 0 | 113.2 | L216 E217 E218 F224 | L216-S220 VanDerWaalsContact O-CB 3.29Å; L216-S220 WeakPolarHBondContact O-CB 3.3Å; L216-S220 PolarHBondContact O-N 2.93Å; E217-S220 PolarHBondContact O-N 3.36Å; E217-S220 PolarHBondContact O-OG 2.67Å; E218-S220 PolarHBondContact O-N 3.35Å; S220-F224 WeakPolarHBondContact O-CB 3.49Å; S220-F224 PolarHBondContact O-N 2.87Å |
| 221 | R | 97.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -48.6 | 177.9 | -64.9 | 166.3 | 178.4 | -148.7 | -1.8 | 110.9 | L22 Y26 W29 W114 E217 E218 R219 F224 F225 | L22-R221 PolarHBondContact O-NH1 2.94Å; Y26-R221 PolarHBondContact OH-NH2 3.28Å; W29-R221 HydrophobicContact CZ2-CB 4.39Å; W114-R221 HydrophobicContact CD2-CB 4.47Å; W114-R221 HydrophobicContact CD2-CG 3.74Å; W114-R221 HydrophobicContact CE3-CG 4.19Å; W114-R221 HydrophobicContact CG-CG 4.02Å; W114-R221 HydrophobicContact CH2-CB 4.14Å; W114-R221 HydrophobicContact CH2-CG 4.44Å; W114-R221 HydrophobicContact CZ2-CB 3.96Å; W114-R221 HydrophobicContact CZ2-CG 4.02Å; W114-R221 HydrophobicContact CZ3-CB 4.46Å; W114-R221 PolarHBondContact O-NH2 3.5Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.11Å; E217-R221 IonicContact OE1-CZ 2.68Å; E217-R221 VanDerWaalsContact OE1-CZ 3.24Å; E217-R221 IonicContact OE1-NE 3.39Å; E217-R221 PolarHBondContact OE1-NE 3.46Å; E217-R221 IonicContact OE1-NH2 3.12Å; E217-R221 PolarHBondContact OE1-NH2 2.86Å; E218-R221 WeakPolarHBondContact O-CB 3.46Å; E218-R221 PolarHBondContact O-N 3.35Å; E218-R221 VanDerWaalsContact O-N 3.07Å; R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 3.29Å; R221-F224 PolarHBondContact O-N 3.46Å; R221-F225 PolarHBondContact O-N 3.01Å |
| 222 | F | 97.8 | Very high | 97 | Very high | 107 Ų | 107 | 61 Ų | 61 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177 | -65.2 | -70.3 | 0 | 0 | 0 | 112.4 | W29 E218 R219 F224 F225 V226 | W29-F222 HydrophobicContact CH2-CD1 4.2Å; W29-F222 HydrophobicContact CH2-CE1 4.36Å; W29-F222 HydrophobicContact CZ2-CD1 4.21Å; W29-F222 HydrophobicContact CZ2-CE1 4.08Å; E218-F222 HydrophobicContact CG-CD2 4.36Å; E218-F222 HydrophobicContact CG-CE2 3.96Å; E218-F222 WeakPolarHBondContact O-CD2 3.41Å; R219-F222 PolarHBondContact O-N 3.21Å; F222-F224 VanDerWaalsContact C-N 3.33Å; F222-F224 PolarHBondContact O-N 3.35Å; F222-F225 PolarHBondContact O-N 2.81Å; F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 3.15Å |
| 223 | C | 97.9 | Very high | 97 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | R219 S227 | R219-C223 WeakPolarHBondContact O-CB 3.44Å; R219-C223 PolarHBondContact O-N 3.47Å; R219-C223 PolarHBondContact O-SG 3.2Å; C223-S227 PolarHBondContact O-N 3.33Å; C223-S227 PolarHBondContact O-OG 2.92Å |
| 224 | F | 97.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 25% | 0.25 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 173.8 | -179.7 | -96.7 | 0 | 0 | 0 | 111.7 | P106 L107 K110 W114 S220 R221 F222 V226 S227 C228 | P106-F224 HydrophobicContact CB-CE1 4.44Å; P106-F224 HydrophobicContact CB-CZ 3.98Å; L107-F224 HydrophobicContact CD2-CD1 4.12Å; L107-F224 HydrophobicContact CD2-CE1 4.13Å; K110-F224 HydrophobicContact CB-CD1 4.15Å; K110-F224 HydrophobicContact CB-CE1 3.51Å; K110-F224 HydrophobicContact CB-CZ 3.84Å; K110-F224 HydrophobicContact CD-CD2 4.48Å; K110-F224 HydrophobicContact CD-CE1 4.26Å; K110-F224 HydrophobicContact CD-CE2 4.01Å; K110-F224 HydrophobicContact CD-CZ 3.89Å; K110-F224 HydrophobicContact CG-CD1 3.93Å; K110-F224 HydrophobicContact CG-CD2 4.48Å; K110-F224 HydrophobicContact CG-CE1 3.66Å; K110-F224 HydrophobicContact CG-CE2 4.25Å; K110-F224 HydrophobicContact CG-CG 4.33Å; K110-F224 HydrophobicContact CG-CZ 3.83Å; W114-F224 AromaticContact CH2-CD1 3.98Å; W114-F224 HydrophobicContact CH2-CD1 3.98Å; W114-F224 HydrophobicContact CZ2-CB 4.14Å; W114-F224 AromaticContact CZ2-CD1 3.63Å; W114-F224 HydrophobicContact CZ2-CD1 3.63Å; W114-F224 HydrophobicContact CZ2-CE1 4.42Å; W114-F224 HydrophobicContact CZ2-CG 4.15Å; S220-F224 WeakPolarHBondContact O-CB 3.49Å; S220-F224 PolarHBondContact O-N 2.87Å; R221-F224 PolarHBondContact O-N 3.46Å; F222-F224 VanDerWaalsContact C-N 3.33Å; F222-F224 PolarHBondContact O-N 3.35Å; F224-V226 PolarHBondContact O-N 3.4Å; F224-S227 WeakPolarHBondContact O-CB 3.41Å; F224-S227 PolarHBondContact O-N 3.49Å; F224-C228 PolarHBondContact O-N 2.62Å; F224-C228 PolarHBondContact O-SG 2.75Å; F224-C228 VanDerWaalsContact O-SG 3.41Å |
| 225 | F | 97.9 | Very high | 96.7 | Very high | 36 Ų | 36 | 61 Ų | 61 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 174.7 | 166.2 | -117.9 | 0 | 0 | 0 | 112.7 | W29 L32 L103 L107 R221 F222 S227 C228 L229 | W29-F225 HydrophobicContact CH2-CB 3.7Å; W29-F225 HydrophobicContact CH2-CD1 4.25Å; W29-F225 AromaticContact CH2-CG 3.93Å; W29-F225 HydrophobicContact CH2-CG 3.93Å; W29-F225 HydrophobicContact CZ3-CB 3.75Å; W29-F225 HydrophobicContact CZ3-CD1 4.35Å; W29-F225 AromaticContact CZ3-CD2 3.95Å; W29-F225 HydrophobicContact CZ3-CD2 3.95Å; W29-F225 AromaticContact CZ3-CG 3.74Å; W29-F225 HydrophobicContact CZ3-CG 3.74Å; L32-F225 HydrophobicContact CD2-CD2 4.2Å; L32-F225 HydrophobicContact CD2-CE2 3.78Å; L32-F225 HydrophobicContact CD2-CZ 4.36Å; L103-F225 HydrophobicContact CD1-CD2 3.89Å; L103-F225 HydrophobicContact CD1-CE2 3.94Å; L107-F225 HydrophobicContact CD1-CD2 4.24Å; L107-F225 HydrophobicContact CD2-CB 4.45Å; R221-F225 PolarHBondContact O-N 3.01Å; F222-F225 PolarHBondContact O-N 2.81Å; F225-S227 VanDerWaalsContact C-N 3.34Å; F225-S227 PolarHBondContact O-N 3.3Å; F225-C228 WeakPolarHBondContact O-CB 3.4Å; F225-C228 PolarHBondContact O-N 2.81Å; F225-L229 HydrophobicContact CE1-CD2 4.37Å; F225-L229 HydrophobicContact CZ-CD2 3.99Å; F225-L229 WeakPolarHBondContact O-CB 3.44Å; F225-L229 PolarHBondContact O-N 2.65Å |
| 226 | V | 97.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 61 Ų | 61 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | F222 F224 C228 L229 L230 | F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 3.15Å; F224-V226 PolarHBondContact O-N 3.4Å; V226-C228 VanDerWaalsContact C-N 3.26Å; V226-C228 PolarHBondContact O-N 2.92Å; V226-L229 PolarHBondContact O-N 3.46Å; V226-L230 HydrophobicContact CG1-CD1 4.46Å; V226-L230 HydrophobicContact CG1-CG 4.41Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 2.96Å |
| 227 | S | 97.6 | Very high | 96.2 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -34.1 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | C223 F224 F225 | C223-S227 PolarHBondContact O-N 3.33Å; C223-S227 PolarHBondContact O-OG 2.92Å; F224-S227 WeakPolarHBondContact O-CB 3.41Å; F224-S227 PolarHBondContact O-N 3.49Å; F225-S227 VanDerWaalsContact C-N 3.34Å; F225-S227 PolarHBondContact O-N 3.3Å |
| 228 | C | 97.5 | Very high | 96 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.7 | -25.1 | 173.5 | -74.8 | 0 | 0 | 0 | 0 | 113.8 | S102 L103 F224 F225 V226 | S102-C228 WeakPolarHBondContact O-CA 3.35Å; S102-C228 WeakPolarHBondContact O-CB 3.43Å; S102-C228 PolarHBondContact O-SG 3.08Å; L103-C228 HydrophobicContact CD1-CB 3.63Å; F224-C228 PolarHBondContact O-N 2.62Å; F224-C228 PolarHBondContact O-SG 2.75Å; F224-C228 VanDerWaalsContact O-SG 3.41Å; F225-C228 WeakPolarHBondContact O-CB 3.4Å; F225-C228 PolarHBondContact O-N 2.81Å; V226-C228 VanDerWaalsContact C-N 3.26Å; V226-C228 PolarHBondContact O-N 2.92Å |
| 229 | L | 97.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -87.4 | -32.5 | -176.9 | -175.4 | 62.8 | 0 | 0 | 0 | 113 | L103 F225 V226 I232 L233 | L103-L229 HydrophobicContact CD2-CD1 4.28Å; F225-L229 HydrophobicContact CE1-CD2 4.37Å; F225-L229 HydrophobicContact CZ-CD2 3.99Å; F225-L229 WeakPolarHBondContact O-CB 3.44Å; F225-L229 PolarHBondContact O-N 2.65Å; V226-L229 PolarHBondContact O-N 3.46Å; L229-I232 HydrophobicContact CD1-CD1 4.23Å; L229-I232 WeakPolarHBondContact O-CB 3.46Å; L229-I232 PolarHBondContact O-N 3.41Å; L229-L233 HydrophobicContact CD2-CD1 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.1Å; L229-L233 HydrophobicContact CG-CG 4.13Å; L229-L233 PolarHBondContact O-N 3.05Å |
| 230 | L | 97.1 | Very high | 95.7 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -49.6 | -47.1 | -176 | -80 | 167.5 | 0 | 0 | 0 | 114.7 | V226 I232 L233 E234 | V226-L230 HydrophobicContact CG1-CD1 4.46Å; V226-L230 HydrophobicContact CG1-CG 4.41Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 2.96Å; L230-I232 PolarHBondContact O-N 3.38Å; L230-I232 VanDerWaalsContact O-N 3.14Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.13Å; L230-E234 WeakPolarHBondContact O-CG 3.44Å; L230-E234 PolarHBondContact O-N 2.88Å |
| 231 | P | 95.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 20% | 0.195 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -28 | 178.7 | -25.8 | 36.1 | 0 | 0 | 0 | 114.2 | C235 | P231-C235 PolarHBondContact O-N 3.34Å; P231-C235 VanDerWaalsContact O-N 3.11Å; P231-C235 PolarHBondContact O-SG 3Å; P231-C235 VanDerWaalsContact O-SG 3.37Å |
| 232 | I | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.9 | -38.6 | 177.3 | -59.6 | 158.2 | 0 | 0 | 0 | 109.8 | M95 H98 L99 L103 L229 L230 C235 Q236 | M95-I232 HydrophobicContact CG-CG2 3.93Å; M95-I232 HydrophobicContact SD-CG2 4.47Å; H98-I232 HydrophobicContact CB-CG1 3.83Å; L99-I232 HydrophobicContact CD2-CD1 3.87Å; L99-I232 HydrophobicContact CD2-CG2 4.27Å; L99-I232 HydrophobicContact CG-CD1 4.17Å; L99-I232 HydrophobicContact CG-CG1 4.41Å; L99-I232 HydrophobicContact CG-CG2 4.41Å; L103-I232 HydrophobicContact CB-CD1 3.65Å; L103-I232 HydrophobicContact CD2-CD1 3.68Å; L103-I232 HydrophobicContact CG-CD1 4.27Å; L229-I232 HydrophobicContact CD1-CD1 4.23Å; L229-I232 WeakPolarHBondContact O-CB 3.46Å; L229-I232 PolarHBondContact O-N 3.41Å; L230-I232 PolarHBondContact O-N 3.38Å; L230-I232 VanDerWaalsContact O-N 3.14Å; I232-C235 PolarHBondContact O-N 2.91Å; I232-Q236 WeakPolarHBondContact O-CG 3.48Å; I232-Q236 PolarHBondContact O-N 3.32Å |
| 233 | L | 95.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 175.6 | -58.1 | 176.5 | 0 | 0 | 0 | 111.6 | L229 L230 Q236 S237 | L229-L233 HydrophobicContact CD2-CD1 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.1Å; L229-L233 HydrophobicContact CG-CG 4.13Å; L229-L233 PolarHBondContact O-N 3.05Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.13Å; L233-Q236 PolarHBondContact O-N 3.22Å; L233-S237 PolarHBondContact O-N 3.17Å |
| 234 | E | 94.4 | Very high | 94.4 | Very high | 125 Ų | 125 | 56.1 Ų | 56.1 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 172.7 | -71.1 | 163.8 | -171.8 | 0 | 0 | 111.3 | L230 Q236 S237 S238 | L230-E234 WeakPolarHBondContact O-CG 3.44Å; L230-E234 PolarHBondContact O-N 2.88Å; E234-Q236 VanDerWaalsContact C-N 3.34Å; E234-Q236 PolarHBondContact O-N 3.41Å; E234-S237 PolarHBondContact O-N 3.47Å; E234-S238 WeakPolarHBondContact O-CB 3.19Å; E234-S238 PolarHBondContact O-N 2.93Å |
| 235 | C | 92.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 170.8 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | M95 H98 P231 I232 S238 M239 | M95-C235 HydrophobicContact CB-CB 3.8Å; M95-C235 HydrophobicContact CG-CB 4.12Å; H98-C235 VanDerWaalsContact CD2-SG 3.6Å; P231-C235 PolarHBondContact O-N 3.34Å; P231-C235 VanDerWaalsContact O-N 3.11Å; P231-C235 PolarHBondContact O-SG 3Å; P231-C235 VanDerWaalsContact O-SG 3.37Å; I232-C235 PolarHBondContact O-N 2.91Å; C235-S238 PolarHBondContact O-N 2.88Å; C235-M239 WeakPolarHBondContact O-CG 3.47Å; C235-M239 PolarHBondContact O-N 3.13Å |
| 236 | Q | 90.7 | Very high | 94 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.6 | -75.2 | 176.2 | -2.5 | 0 | 0 | 112.3 | M95 I232 L233 E234 M239 | M95-Q236 HydrophobicContact SD-CG 3.52Å; M95-Q236 VanDerWaalsContact SD-CG 3.52Å; I232-Q236 WeakPolarHBondContact O-CG 3.48Å; I232-Q236 PolarHBondContact O-N 3.32Å; L233-Q236 PolarHBondContact O-N 3.22Å; E234-Q236 VanDerWaalsContact C-N 3.34Å; E234-Q236 PolarHBondContact O-N 3.41Å; Q236-M239 HydrophobicContact CB-CE 4.46Å; Q236-M239 HydrophobicContact CG-CE 4.09Å; Q236-M239 PolarHBondContact O-N 3.42Å |
| 237 | S | 92.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | L233 E234 M239 L240 | L233-S237 PolarHBondContact O-N 3.17Å; E234-S237 PolarHBondContact O-N 3.47Å; S237-M239 PolarHBondContact O-N 3.49Å; S237-L240 WeakPolarHBondContact O-CB 3.37Å; S237-L240 PolarHBondContact O-N 3.47Å; S237-L240 VanDerWaalsContact O-N 3.08Å |
| 238 | S | 91.6 | Very high | 93.7 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -25 | 179.1 | -172.7 | 0 | 0 | 0 | 0 | 114.1 | K91 E234 C235 | K91-S238 WeakPolarHBondContact CE-OG 3.48Å; K91-S238 PolarHBondContact NZ-O 3.22Å; K91-S238 PolarHBondContact NZ-OG 3.36Å; E234-S238 WeakPolarHBondContact O-CB 3.19Å; E234-S238 PolarHBondContact O-N 2.93Å; C235-S238 PolarHBondContact O-N 2.88Å |
| 239 | M | 93.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74 | -26.7 | 175.7 | -72.1 | -171.5 | -69.5 | 0 | 0 | 113.6 | L88 K91 V92 M95 C235 Q236 S237 H241 E242 I243 | L88-M239 HydrophobicContact CD1-CB 3.75Å; L88-M239 HydrophobicContact CD1-CG 3.74Å; L88-M239 HydrophobicContact CD1-SD 3.94Å; K91-M239 HydrophobicContact CB-CG 3.55Å; K91-M239 HydrophobicContact CB-SD 4.19Å; K91-M239 HydrophobicContact CD-CG 4.23Å; V92-M239 HydrophobicContact CB-SD 4.37Å; V92-M239 HydrophobicContact CG2-SD 3.46Å; V92-M239 WeakPolarHBondContact CG2-SD 3.3Å; M95-M239 HydrophobicContact CE-CE 4.16Å; M95-M239 HydrophobicContact SD-CE 3.63Å; C235-M239 WeakPolarHBondContact O-CG 3.47Å; C235-M239 PolarHBondContact O-N 3.13Å; Q236-M239 HydrophobicContact CB-CE 4.46Å; Q236-M239 HydrophobicContact CG-CE 4.09Å; Q236-M239 PolarHBondContact O-N 3.42Å; S237-M239 PolarHBondContact O-N 3.49Å; M239-H241 PolarHBondContact O-N 3.15Å; M239-E242 PolarHBondContact O-N 2.81Å; M239-I243 PolarHBondContact O-N 2.77Å |
| 240 | L | 92.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | -179.2 | -59.5 | 176.4 | 0 | 0 | 0 | 112.1 | S237 I243 A244 | S237-L240 WeakPolarHBondContact O-CB 3.37Å; S237-L240 PolarHBondContact O-N 3.47Å; S237-L240 VanDerWaalsContact O-N 3.08Å; L240-I243 PolarHBondContact O-N 2.94Å; L240-A244 PolarHBondContact O-N 3.14Å; L240-A244 VanDerWaalsContact O-N 3.11Å |
| 241 | H | 87.8 | Confident | 93.4 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.2 | -179.3 | 68.2 | 0 | 0 | 0 | 112.8 | M239 I243 A244 T245 | M239-H241 PolarHBondContact O-N 3.15Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.83Å; H241-A244 PolarHBondContact O-N 2.63Å; H241-T245 PolarHBondContact O-N 3.02Å |
| 242 | E | 90.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.2 | -55.6 | -53 | 124.3 | 0 | 0 | 110.5 | R84 S87 L88 K91 M239 A244 T245 M246 | R84-E242 IonicContact NH1-OE2 3.48Å; S87-E242 VanDerWaalsContact CB-OE2 3.24Å; S87-E242 WeakPolarHBondContact CB-OE2 3.41Å; S87-E242 PolarHBondContact OG-OE2 2.97Å; L88-E242 HydrophobicContact CB-CB 4.16Å; L88-E242 HydrophobicContact CB-CG 4.36Å; L88-E242 HydrophobicContact CD1-CB 4.37Å; K91-E242 HydrophobicContact CD-CG 3.88Å; K91-E242 WeakPolarHBondContact CE-OE1 3.22Å; K91-E242 IonicContact NZ-OE1 3.26Å; K91-E242 PolarHBondContact NZ-OE1 2.9Å; M239-E242 PolarHBondContact O-N 2.81Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.9Å; E242-T245 PolarHBondContact O-N 3.01Å; E242-T245 VanDerWaalsContact O-N 3.11Å; E242-T245 PolarHBondContact O-OG1 3.19Å; E242-M246 WeakPolarHBondContact O-CG 3.31Å; E242-M246 PolarHBondContact O-N 3.39Å |
| 243 | I | 92.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 179.5 | -63.6 | 171.2 | 0 | 0 | 0 | 110.9 | L88 M239 L240 H241 M246 D247 L1378 | L88-I243 HydrophobicContact CD2-CG1 4.42Å; M239-I243 PolarHBondContact O-N 2.77Å; L240-I243 PolarHBondContact O-N 2.94Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.83Å; I243-M246 PolarHBondContact O-N 3.34Å; I243-D247 PolarHBondContact O-N 3.12Å; I243-L1378 HydrophobicContact CD1-CD2 4.31Å |
| 244 | A | 92.5 | Very high | 93.1 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L240 H241 E242 M246 D247 E248 | L240-A244 PolarHBondContact O-N 3.14Å; L240-A244 VanDerWaalsContact O-N 3.11Å; H241-A244 PolarHBondContact O-N 2.63Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.9Å; A244-M246 PolarHBondContact O-N 3.41Å; A244-D247 WeakPolarHBondContact O-CB 3.41Å; A244-D247 PolarHBondContact O-N 2.85Å; A244-E248 PolarHBondContact O-N 3.43Å |
| 245 | T | 92.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -23.1 | 176.6 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | R84 H241 E242 L249 | R84-T245 WeakPolarHBondContact CD-OG1 3.42Å; H241-T245 PolarHBondContact O-N 3.02Å; E242-T245 PolarHBondContact O-N 3.01Å; E242-T245 VanDerWaalsContact O-N 3.11Å; E242-T245 PolarHBondContact O-OG1 3.19Å; T245-L249 WeakPolarHBondContact O-CG 3.19Å; T245-L249 PolarHBondContact O-N 2.78Å |
| 246 | M | 94.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -76.5 | -32.3 | 174.2 | -70.4 | 179.7 | 72.3 | 0 | 0 | 112 | Y81 R84 Q85 L88 E242 I243 A244 L249 I250 L1375 | Y81-M246 HydrophobicContact CD1-CE 4.44Å; Y81-M246 HydrophobicContact CD2-CE 4.22Å; Y81-M246 HydrophobicContact CE1-CE 3.83Å; Y81-M246 HydrophobicContact CE2-CB 4.17Å; Y81-M246 HydrophobicContact CE2-CE 3.57Å; Y81-M246 HydrophobicContact CE2-CG 4.49Å; R84-M246 HydrophobicContact CB-CG 3.7Å; R84-M246 HydrophobicContact CB-SD 4.31Å; Q85-M246 HydrophobicContact CB-CE 3.84Å; Q85-M246 HydrophobicContact CG-CE 4.06Å; L88-M246 HydrophobicContact CD2-SD 4.16Å; E242-M246 WeakPolarHBondContact O-CG 3.31Å; E242-M246 PolarHBondContact O-N 3.39Å; I243-M246 PolarHBondContact O-N 3.34Å; A244-M246 PolarHBondContact O-N 3.41Å; M246-L249 PolarHBondContact O-N 2.98Å; M246-I250 VanDerWaalsContact O-CG1 3.3Å; M246-I250 WeakPolarHBondContact O-CG1 3.3Å; M246-I250 PolarHBondContact O-N 3.18Å; M246-L1375 HydrophobicContact CE-CD1 3.86Å |
| 247 | D | 94.4 | Very high | 92.5 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 173.9 | -177.2 | 69.3 | 0 | 0 | 0 | 112.1 | I243 A244 L249 I250 K251 | I243-D247 PolarHBondContact O-N 3.12Å; A244-D247 WeakPolarHBondContact O-CB 3.41Å; A244-D247 PolarHBondContact O-N 2.85Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 3.28Å; D247-I250 PolarHBondContact O-N 3.18Å; D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 3.29Å; D247-K251 WeakPolarHBondContact OD2-CE 3.49Å; D247-K251 IonicContact OD2-NZ 2.74Å; D247-K251 PolarHBondContact OD2-NZ 3.46Å |
| 248 | E | 94.8 | Very high | 92.3 | Very high | 124 Ų | 124 | 66.7 Ų | 66.7 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 170.8 | -65.1 | 173.9 | 162.7 | 0 | 0 | 112.4 | A244 T252 | A244-E248 PolarHBondContact O-N 3.43Å; E248-T252 PolarHBondContact O-N 3.35Å; E248-T252 PolarHBondContact O-OG1 3.34Å |
| 249 | L | 95.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.8 | -31.3 | 176.1 | -71.7 | 172.4 | 0 | 0 | 0 | 112.8 | R80 Y81 R84 T245 M246 D247 L253 | R80-L249 HydrophobicContact CB-CD1 4.01Å; R80-L249 HydrophobicContact CB-CD2 3.83Å; Y81-L249 HydrophobicContact CD2-CB 4.2Å; R84-L249 HydrophobicContact CB-CD1 4.41Å; R84-L249 HydrophobicContact CG-CD1 3.7Å; T245-L249 WeakPolarHBondContact O-CG 3.19Å; T245-L249 PolarHBondContact O-N 2.78Å; M246-L249 PolarHBondContact O-N 2.98Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 3.28Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 PolarHBondContact O-N 3.4Å |
| 250 | I | 95.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 73.6 Ų | 73.6 | 29% | 0.292 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 172.2 | -72.4 | 162.9 | 0 | 0 | 0 | 109.8 | Y81 M246 D247 T252 L253 T254 | Y81-I250 HydrophobicContact CD2-CG1 4.46Å; Y81-I250 HydrophobicContact CE2-CD1 4.03Å; Y81-I250 HydrophobicContact CE2-CG1 3.79Å; M246-I250 VanDerWaalsContact O-CG1 3.3Å; M246-I250 WeakPolarHBondContact O-CG1 3.3Å; M246-I250 PolarHBondContact O-N 3.18Å; D247-I250 PolarHBondContact O-N 3.18Å; I250-T252 VanDerWaalsContact C-N 3.27Å; I250-T252 PolarHBondContact O-N 3.26Å; I250-L253 PolarHBondContact O-N 2.84Å; I250-L253 VanDerWaalsContact O-N 3.08Å; I250-T254 PolarHBondContact O-N 3.06Å; I250-T254 PolarHBondContact O-OG1 2.91Å |
| 251 | K | 94.8 | Very high | 91.6 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -56.1 | -41.8 | 175.1 | -73.6 | 162.1 | 173.8 | 163.8 | 0 | 112.2 | D247 K255 | D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 3.29Å; D247-K251 WeakPolarHBondContact OD2-CE 3.49Å; D247-K251 IonicContact OD2-NZ 2.74Å; D247-K251 PolarHBondContact OD2-NZ 3.46Å; K251-K255 PolarHBondContact O-N 3.21Å |
| 252 | T | 93.8 | Very high | 91.3 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -53.1 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | E248 I250 T254 K255 E256 | E248-T252 PolarHBondContact O-N 3.35Å; E248-T252 PolarHBondContact O-OG1 3.34Å; I250-T252 VanDerWaalsContact C-N 3.27Å; I250-T252 PolarHBondContact O-N 3.26Å; T252-T254 VanDerWaalsContact C-N 3.35Å; T252-T254 PolarHBondContact O-N 2.93Å; T252-K255 WeakPolarHBondContact O-CB 3.32Å; T252-K255 PolarHBondContact O-N 2.95Å; T252-E256 HydrophobicContact CG2-CG 4.45Å; T252-E256 WeakPolarHBondContact O-CG 3.47Å; T252-E256 PolarHBondContact O-N 3.34Å; T252-E256 VanDerWaalsContact O-N 3.08Å |
| 253 | L | 93.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 81.3 Ų | 81.3 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | -178.1 | -177.8 | 63.3 | 0 | 0 | 0 | 112.3 | I74 C77 L78 L249 I250 K255 E256 T257 | I74-L253 HydrophobicContact CG2-CD1 3.97Å; C77-L253 HydrophobicContact CB-CD1 4.46Å; L78-L253 HydrophobicContact CD2-CD1 4.31Å; L78-L253 HydrophobicContact CD2-CD2 3.88Å; L78-L253 HydrophobicContact CG-CD1 4.4Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 PolarHBondContact O-N 3.4Å; I250-L253 PolarHBondContact O-N 2.84Å; I250-L253 VanDerWaalsContact O-N 3.08Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.01Å; L253-E256 PolarHBondContact O-N 2.89Å; L253-T257 HydrophobicContact CD1-CG2 4.31Å; L253-T257 WeakPolarHBondContact O-CG2 3.39Å; L253-T257 PolarHBondContact O-N 3.33Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.47Å |
| 254 | T | 94 | Very high | 90.4 | Very high | 87 Ų | 87 | 82.2 Ų | 82.2 | 53% | 0.534 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.4 | -47.5 | 176 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | I250 T252 T257 E258 | I250-T254 PolarHBondContact O-N 3.06Å; I250-T254 PolarHBondContact O-OG1 2.91Å; T252-T254 VanDerWaalsContact C-N 3.35Å; T252-T254 PolarHBondContact O-N 2.93Å; T254-T257 WeakPolarHBondContact CA-OG1 3.43Å; T254-T257 CarbonylContact O-C 3.58Å; T254-T257 PolarHBondContact O-N 2.86Å; T254-T257 VanDerWaalsContact O-N 3.09Å; T254-T257 PolarHBondContact O-OG1 2.87Å; T254-E258 PolarHBondContact O-N 3.13Å |
| 255 | K | 90.4 | Very high | 89.8 | Confident | 140 Ų | 140 | 87.5 Ų | 87.5 | 61% | 0.609 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 177.5 | -170.3 | -159.4 | 171.9 | -148.6 | 0 | 112.4 | K251 T252 L253 T257 E258 | K251-K255 PolarHBondContact O-N 3.21Å; T252-K255 WeakPolarHBondContact O-CB 3.32Å; T252-K255 PolarHBondContact O-N 2.95Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.01Å; K255-T257 PolarHBondContact O-N 3.23Å; K255-T257 VanDerWaalsContact O-N 3.09Å; K255-E258 WeakPolarHBondContact O-CB 3.36Å; K255-E258 PolarHBondContact O-N 3.48Å |
| 256 | E | 86.3 | Confident | 89.1 | Confident | 77 Ų | 77 | 92.6 Ų | 92.6 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -7.6 | 175.4 | -54.2 | -55.6 | 129.4 | 0 | 0 | 113 | I74 T252 L253 | I74-E256 HydrophobicContact CG1-CB 4.01Å; T252-E256 HydrophobicContact CG2-CG 4.45Å; T252-E256 WeakPolarHBondContact O-CG 3.47Å; T252-E256 PolarHBondContact O-N 3.34Å; T252-E256 VanDerWaalsContact O-N 3.08Å; L253-E256 PolarHBondContact O-N 2.89Å |
| 257 | T | 89.5 | Confident | 88.5 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 8.9 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | I74 L253 T254 K255 F259 | I74-T257 HydrophobicContact CD1-CG2 4.25Å; L253-T257 HydrophobicContact CD1-CG2 4.31Å; L253-T257 WeakPolarHBondContact O-CG2 3.39Å; L253-T257 PolarHBondContact O-N 3.33Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.47Å; T254-T257 WeakPolarHBondContact CA-OG1 3.43Å; T254-T257 CarbonylContact O-C 3.58Å; T254-T257 PolarHBondContact O-N 2.86Å; T254-T257 VanDerWaalsContact O-N 3.09Å; T254-T257 PolarHBondContact O-OG1 2.87Å; K255-T257 PolarHBondContact O-N 3.23Å; K255-T257 VanDerWaalsContact O-N 3.09Å; T257-F259 PolarHBondContact O-N 3.23Å |
| 258 | E | 88.4 | Confident | 88 | Confident | 116 Ų | 116 | 94.4 Ų | 94.4 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -65.9 | -33.8 | -173.2 | -167.7 | 178.3 | 168.2 | 0 | 0 | 113.2 | T254 K255 P260 | T254-E258 PolarHBondContact O-N 3.13Å; K255-E258 WeakPolarHBondContact O-CB 3.36Å; K255-E258 PolarHBondContact O-N 3.48Å; E258-P260 WeakPolarHBondContact O-CD 3.14Å |
| 259 | F | 86.4 | Confident | 87.4 | Confident | 114 Ų | 114 | 90.1 Ų | 90.1 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | trans | -126.4 | 68.9 | -175.3 | -56.7 | -67.9 | 0 | 0 | 0 | 112.6 | T257 D261 Q262 | T257-F259 PolarHBondContact O-N 3.23Å; F259-D261 VanDerWaalsContact C-N 3.26Å; F259-D261 PolarHBondContact O-N 3.44Å; F259-Q262 HydrophobicContact CB-CB 3.99Å; F259-Q262 HydrophobicContact CB-CG 3.99Å; F259-Q262 VanDerWaalsContact CD1-NE2 3.34Å; F259-Q262 PolarHBondContact O-N 3.21Å; F259-Q262 VanDerWaalsContact O-N 3.12Å | ||
| 260 | P | 88.5 | Confident | 86.6 | Confident | 108 Ų | 108 | 93 Ų | 93 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24 | -173 | 28.2 | -36.1 | 0 | 0 | 0 | 114.3 | E258 | E258-P260 WeakPolarHBondContact O-CD 3.14Š|
| 261 | D | 87.8 | Confident | 86 | Confident | 164 Ų | 164 | 93.8 Ų | 93.8 | 88% | 0.877 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -2 | 177.9 | -60.9 | -59.5 | 0 | 0 | 0 | 113.5 | F259 | F259-D261 VanDerWaalsContact C-N 3.26Å; F259-D261 PolarHBondContact O-N 3.44Å |
| 262 | Q | 81.3 | Confident | 85.4 | Confident | 129 Ų | 129 | 93.1 Ų | 93.1 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -103.1 | 141 | 178.3 | -61.7 | -178.4 | 32.3 | 0 | 0 | 110.6 | F259 | F259-Q262 HydrophobicContact CB-CB 3.99Å; F259-Q262 HydrophobicContact CB-CG 3.99Å; F259-Q262 VanDerWaalsContact CD1-NE2 3.34Å; F259-Q262 PolarHBondContact O-N 3.21Å; F259-Q262 VanDerWaalsContact O-N 3.12Å |
| 263 | L | 80.9 | Confident | 84.7 | Confident | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 133.9 | 173.4 | -68.8 | 179.5 | 0 | 0 | 0 | 109.7 | V267 E268 V271 | L263-V267 HydrophobicContact CB-CB 4.48Å; L263-V267 HydrophobicContact CD2-CG1 4.2Å; L263-E268 HydrophobicContact CB-CG 3.56Å; L263-E268 HydrophobicContact CD1-CG 4.45Å; L263-V271 HydrophobicContact CD1-CG2 4.4Å |
| 264 | V | 82.4 | Confident | 83.7 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 139.6 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | D266 V267 E268 | V264-D266 HydrophobicContact CG1-CB 4.48Å; V264-D266 PolarHBondContact O-N 3.5Å; V264-V267 HydrophobicContact CB-CG2 4.23Å; V264-V267 WeakPolarHBondContact O-CA 3.37Å; V264-V267 VanDerWaalsContact O-CB 3.31Å; V264-V267 WeakPolarHBondContact O-CB 3.42Å; V264-V267 PolarHBondContact O-N 2.88Å; V264-E268 PolarHBondContact O-N 2.89Å; V264-E268 VanDerWaalsContact O-N 3.08Å |
| 265 | E | 80.8 | Confident | 82.5 | Confident | 163 Ų | 163 | 99.6 Ų | 99.6 | 76% | 0.762 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -50.2 | -37.4 | -174.3 | -173.9 | 179.2 | -173.5 | 0 | 0 | 113.3 | V267 E268 S269 | E265-V267 VanDerWaalsContact C-N 3.29Å; E265-V267 PolarHBondContact O-N 2.63Å; E265-E268 PolarHBondContact O-N 2.92Å; E265-S269 WeakPolarHBondContact O-CB 3.22Å; E265-S269 PolarHBondContact O-N 3.44Å |
| 266 | D | 78.6 | Confident | 81.1 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 65% | 0.647 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.3 | -40.1 | 174.5 | -117.1 | 18.8 | 0 | 0 | 0 | 112.4 | V264 S269 I270 | V264-D266 HydrophobicContact CG1-CB 4.48Å; V264-D266 PolarHBondContact O-N 3.5Å; D266-S269 PolarHBondContact O-OG 3.4Å; D266-I270 WeakPolarHBondContact O-CG1 3.43Å; D266-I270 PolarHBondContact O-N 3.37Å |
| 267 | V | 81.8 | Confident | 79.7 | Confident | 18 Ų | 18 | 108.2 Ų | 108.2 | 11% | 0.109 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -75.7 | -43.3 | 177.6 | -169 | 0 | 0 | 0 | 0 | 110.8 | G70 L263 V264 E265 S269 I270 V271 | G70-V267 VanDerWaalsContact N-CG2 3.32Å; L263-V267 HydrophobicContact CB-CB 4.48Å; L263-V267 HydrophobicContact CD2-CG1 4.2Å; V264-V267 HydrophobicContact CB-CG2 4.23Å; V264-V267 WeakPolarHBondContact O-CA 3.37Å; V264-V267 VanDerWaalsContact O-CB 3.31Å; V264-V267 WeakPolarHBondContact O-CB 3.42Å; V264-V267 PolarHBondContact O-N 2.88Å; E265-V267 VanDerWaalsContact C-N 3.29Å; E265-V267 PolarHBondContact O-N 2.63Å; V267-S269 VanDerWaalsContact C-N 3.25Å; V267-S269 PolarHBondContact O-N 3.46Å; V267-I270 WeakPolarHBondContact O-CA 3.36Å; V267-I270 WeakPolarHBondContact O-CB 3.41Å; V267-I270 PolarHBondContact O-N 3.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 2.92Å |
| 268 | E | 84.3 | Confident | 77.9 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 46% | 0.458 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.6 | -41.8 | 174 | -64.8 | -154.1 | 140.3 | 0 | 0 | 111.2 | L263 V264 E265 I270 V271 L272 | L263-E268 HydrophobicContact CB-CG 3.56Å; L263-E268 HydrophobicContact CD1-CG 4.45Å; V264-E268 PolarHBondContact O-N 2.89Å; V264-E268 VanDerWaalsContact O-N 3.08Å; E265-E268 PolarHBondContact O-N 2.92Å; E268-I270 PolarHBondContact O-N 2.79Å; E268-V271 PolarHBondContact O-N 3.26Å; E268-V271 VanDerWaalsContact O-N 3.16Å; E268-L272 WeakPolarHBondContact O-CB 3.49Å; E268-L272 VanDerWaalsContact O-CG 3.28Å; E268-L272 WeakPolarHBondContact O-CG 3.3Å; E268-L272 PolarHBondContact O-N 2.98Å |
| 269 | S | 80.9 | Confident | 76 | Confident | 35 Ų | 35 | 115.4 Ų | 115.4 | 25% | 0.245 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -60.7 | -30.9 | 175.7 | 87.5 | 0 | 0 | 0 | 0 | 112.5 | E265 D266 V267 R273 | E265-S269 WeakPolarHBondContact O-CB 3.22Å; E265-S269 PolarHBondContact O-N 3.44Å; D266-S269 PolarHBondContact O-OG 3.4Å; V267-S269 VanDerWaalsContact C-N 3.25Å; V267-S269 PolarHBondContact O-N 3.46Å; S269-R273 VanDerWaalsContact O-CB 3.31Å; S269-R273 WeakPolarHBondContact O-CB 3.37Å; S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 3.13Å; S269-R273 VanDerWaalsContact O-N 3.15Å; S269-R273 PolarHBondContact O-NE 2.88Å; S269-R273 PolarHBondContact OG-NH2 3.46Å |
| 270 | I | 80.1 | Confident | 74 | Confident | 78 Ų | 78 | 114.8 Ų | 114.8 | 40% | 0.4 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.4 | -45.5 | 175.1 | -66.4 | 166.2 | 0 | 0 | 0 | 110 | D266 V267 E268 L272 R273 M274 | D266-I270 WeakPolarHBondContact O-CG1 3.43Å; D266-I270 PolarHBondContact O-N 3.37Å; V267-I270 WeakPolarHBondContact O-CA 3.36Å; V267-I270 WeakPolarHBondContact O-CB 3.41Å; V267-I270 PolarHBondContact O-N 3.4Å; E268-I270 PolarHBondContact O-N 2.79Å; I270-L272 PolarHBondContact O-N 3.33Å; I270-R273 CarbonylContact O-C 3.57Å; I270-R273 PolarHBondContact O-N 2.63Å; I270-M274 HydrophobicContact CG2-SD 4.06Å; I270-M274 WeakPolarHBondContact O-CG 3.43Å; I270-M274 PolarHBondContact O-N 2.9Å |
| 271 | V | 81.7 | Confident | 71.6 | Confident | 75 Ų | 75 | 114.4 Ų | 114.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.7 | -44.6 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L263 V267 E268 R273 M274 G275 | L263-V271 HydrophobicContact CD1-CG2 4.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 2.92Å; E268-V271 PolarHBondContact O-N 3.26Å; E268-V271 VanDerWaalsContact O-N 3.16Å; V271-R273 PolarHBondContact O-N 3.11Å; V271-M274 WeakPolarHBondContact O-CA 3.31Å; V271-M274 WeakPolarHBondContact O-CB 3.27Å; V271-M274 PolarHBondContact O-N 3.18Å; V271-M274 VanDerWaalsContact O-N 3.1Å; V271-G275 PolarHBondContact O-N 2.94Å |
| 272 | L | 81.9 | Confident | 69.3 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -35.9 | 175.5 | -68.9 | 169.7 | 0 | 0 | 0 | 112.5 | E268 I270 M274 R276 | E268-L272 WeakPolarHBondContact O-CB 3.49Å; E268-L272 VanDerWaalsContact O-CG 3.28Å; E268-L272 WeakPolarHBondContact O-CG 3.3Å; E268-L272 PolarHBondContact O-N 2.98Å; I270-L272 PolarHBondContact O-N 3.33Å; L272-M274 VanDerWaalsContact C-N 3.32Å; L272-R276 PolarHBondContact O-N 3.28Å |
| 273 | R | 78.8 | Confident | 67.2 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 59% | 0.585 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.7 | -21.4 | 172.4 | -77.5 | 178.6 | -73.3 | 176.2 | -4.4 | 113.3 | S269 I270 V271 R277 | S269-R273 VanDerWaalsContact O-CB 3.31Å; S269-R273 WeakPolarHBondContact O-CB 3.37Å; S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 3.13Å; S269-R273 VanDerWaalsContact O-N 3.15Å; S269-R273 PolarHBondContact O-NE 2.88Å; S269-R273 PolarHBondContact OG-NH2 3.46Å; I270-R273 CarbonylContact O-C 3.57Å; I270-R273 PolarHBondContact O-N 2.63Å; V271-R273 PolarHBondContact O-N 3.11Å; R273-R277 PolarHBondContact O-NE 2.63Å |
| 274 | M | 73.9 | Confident | 65.1 | Low | 101 Ų | 101 | 116.3 Ų | 116.3 | 50% | 0.498 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -75.7 | -57.6 | 168.4 | -75.8 | 164.4 | 49.1 | 0 | 0 | 110.5 | I270 V271 L272 R276 R277 | I270-M274 HydrophobicContact CG2-SD 4.06Å; I270-M274 WeakPolarHBondContact O-CG 3.43Å; I270-M274 PolarHBondContact O-N 2.9Å; V271-M274 WeakPolarHBondContact O-CA 3.31Å; V271-M274 WeakPolarHBondContact O-CB 3.27Å; V271-M274 PolarHBondContact O-N 3.18Å; V271-M274 VanDerWaalsContact O-N 3.1Å; L272-M274 VanDerWaalsContact C-N 3.32Å; M274-R276 PolarHBondContact O-N 3.11Å; M274-R276 VanDerWaalsContact O-N 3.09Å; M274-R277 PolarHBondContact O-N 3.14Å |
| 275 | G | 68.2 | Low | 62.9 | Low | 50 Ų | 50 | 118.7 Ų | 118.7 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.6 | -20.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V271 R277 | V271-G275 PolarHBondContact O-N 2.94Å; G275-R277 VanDerWaalsContact C-N 3.29Å; G275-R277 PolarHBondContact O-N 3.05Å |
| 276 | R | 60.3 | Low | 60.8 | Low | 218 Ų | 218 | 116.1 Ų | 116.1 | 82% | 0.823 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -73 | -10.6 | 173.6 | -83.2 | -171.7 | 174.8 | -172 | 1.1 | 115.2 | L272 M274 | L272-R276 PolarHBondContact O-N 3.28Å; M274-R276 PolarHBondContact O-N 3.11Å; M274-R276 VanDerWaalsContact O-N 3.09Å |
| 277 | R | 56.8 | Low | 59 | Low | 180 Ų | 180 | 119.6 Ų | 119.6 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -83.6 | -11.3 | -172.9 | -78.3 | -173.8 | -83.6 | 154.9 | -5.9 | 115.6 | R273 M274 G275 | R273-R277 PolarHBondContact O-NE 2.63Å; M274-R277 PolarHBondContact O-N 3.14Å; G275-R277 VanDerWaalsContact C-N 3.29Å; G275-R277 PolarHBondContact O-N 3.05Å |
| 278 | D | 53 | Low | 57 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -96.4 | 2.3 | -170.4 | -59.4 | -48.8 | 0 | 0 | 0 | 115.3 | ||
| 279 | F | 48.8 | Very low | 54.8 | Low | 201 Ų | 201 | 129.7 Ų | 129.7 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -121.6 | 6.3 | -173.2 | -86.1 | -80.4 | 0 | 0 | 0 | 116.9 | ||
| 280 | S | 42.5 | Very low | 52.5 | Low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | -119 | 107.3 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 281 | A | 37.9 | Very low | 50.7 | Low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | trans | -80.2 | 165.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 282 | S | 40.4 | Very low | 48.4 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 86.3 | 109.4 | 156.6 | -157.2 | 0 | 0 | 0 | 0 | 119.4 | ||
| 283 | R | 37.7 | Very low | 46.4 | Very low | 247 Ų | 247 | 138.1 Ų | 138.1 | 93% | 0.932 | 74% | 0.74 | S | S | * | * | trans | 50 | 82.3 | 136.2 | -58.3 | 177.4 | 179.7 | -175.4 | 0.3 | 117.6 | ||||
| 284 | G | 37.3 | Very low | 44.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | trans | -156.7 | 117.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S286 | G284-S286 PolarHBondContact O-N 3.07Š| ||
| 285 | S | 35.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 88% | 0.881 | 76% | 0.759 | S | S | * | * | trans | -76.5 | 114.7 | 174.6 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 286 | S | 36.6 | Very low | 41 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -171.1 | 141.3 | 154.3 | -91.8 | 0 | 0 | 0 | 0 | 113.7 | G284 | G284-S286 PolarHBondContact O-N 3.07Š| ||
| 287 | K | 40.6 | Very low | 39.7 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | 42.7 | 84.2 | 150.5 | -58.4 | -178 | -179.4 | -175.9 | 0 | 115.9 | M289 | K287-M289 PolarHBondContact O-N 3.25Š| ||
| 288 | I | 41 | Very low | 38.7 | Very low | 170 Ų | 170 | 131 Ų | 131 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -56.6 | 121.9 | 153 | -66.3 | 177 | 0 | 0 | 0 | 106.9 | S290 | I288-S290 PolarHBondContact O-N 3.47Å; I288-S290 VanDerWaalsContact O-N 3.16Å | ||
| 289 | M | 37.2 | Very low | 38 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 111.3 | -179.6 | -176.8 | 175.8 | -72.9 | 0 | 0 | 109.2 | K287 V291 | K287-M289 PolarHBondContact O-N 3.25Å; M289-V291 HydrophobicContact CG-CG2 4.08Å; M289-V291 PolarHBondContact O-N 3.13Å; M289-V291 HydrophobicContact SD-CG2 4.31Å | ||
| 290 | S | 32.9 | Very low | 37.4 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 77.4 | 170.2 | 56 | 0 | 0 | 0 | 0 | 109.4 | I288 F292 | I288-S290 PolarHBondContact O-N 3.47Å; I288-S290 VanDerWaalsContact O-N 3.16Å; S290-F292 PolarHBondContact O-N 3.28Å | ||
| 291 | V | 42.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -58.1 | 123.9 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 107 | M289 V293 | M289-V291 HydrophobicContact CG-CG2 4.08Å; M289-V291 PolarHBondContact O-N 3.13Å; M289-V291 HydrophobicContact SD-CG2 4.31Å; V291-V293 PolarHBondContact O-N 3.39Å | ||
| 292 | F | 33.4 | Very low | 37.3 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | trans | -62.4 | 106.9 | -171.7 | -118.2 | -106.2 | 0 | 0 | 0 | 110.6 | S290 P294 P337 | S290-F292 PolarHBondContact O-N 3.28Å; F292-P294 WeakPolarHBondContact O-CD 3.18Å; F292-P337 HydrophobicContact CD1-CG 4.45Å; F292-P337 HydrophobicContact CE1-CG 3.69Å; F292-P337 HydrophobicContact CE2-CG 4.04Å; F292-P337 VanDerWaalsContact CZ-CD 3.5Å; F292-P337 HydrophobicContact CZ-CG 3.46Å; F292-P337 VanDerWaalsContact CZ-CG 3.46Å | ||
| 293 | V | 39.3 | Very low | 37.2 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -77.2 | 117.1 | 155.6 | 177.9 | 0 | 0 | 0 | 0 | 105.9 | V291 D295 | V291-V293 PolarHBondContact O-N 3.39Å; V293-D295 PolarHBondContact O-N 3.08Å | ||
| 294 | P | 40.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 97.2 | 170.3 | 29.3 | -31.6 | 0 | 0 | 0 | 108.3 | F292 G296 | F292-P294 WeakPolarHBondContact O-CD 3.18Å; P294-G296 PolarHBondContact O-N 2.89Å | ||
| 295 | D | 32.8 | Very low | 36.6 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -71.1 | 69.2 | 174.1 | -174.2 | 20.9 | 0 | 0 | 0 | 110.9 | V293 G297 | V293-D295 PolarHBondContact O-N 3.08Å; D295-G297 PolarHBondContact O-N 3.32Å; D295-G297 VanDerWaalsContact O-N 3.17Å | ||
| 296 | G | 34.9 | Very low | 36.3 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -82.4 | 66.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P294 | P294-G296 PolarHBondContact O-N 2.89Š| ||
| 297 | G | 32 | Very low | 36.2 | Very low | 51 Ų | 51 | 142.6 Ų | 142.6 | 53% | 0.526 | 77% | 0.772 | S | S | . | * | trans | -79.1 | 136.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D295 | D295-G297 PolarHBondContact O-N 3.32Å; D295-G297 VanDerWaalsContact O-N 3.17Å | ||
| 298 | D | 36.7 | Very low | 35.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -89 | 129.1 | 153.8 | -94.8 | -47.8 | 0 | 0 | 0 | 109.6 | ||||
| 299 | R | 37.2 | Very low | 35.3 | Very low | 229 Ų | 229 | 132.5 Ų | 132.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -97.9 | 113.6 | -176 | -54.8 | -179.2 | -145.6 | -115.1 | 1.1 | 112.1 | ||||
| 300 | I | 36.9 | Very low | 35 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -137.3 | 105.9 | 151.3 | -57.7 | -176.4 | 0 | 0 | 0 | 109.8 | ||||
| 301 | N | 36.8 | Very low | 35.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -83.4 | 157.4 | 156.9 | -46.7 | -45.7 | 0 | 0 | 0 | 107.4 | ||||
| 302 | N | 41 | Very low | 34.8 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -132.9 | 178 | 19.7 | -51.7 | -77.7 | 0 | 0 | 0 | 108.8 | ||||
| 303 | I | 39.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | -152.6 | 139.9 | 57.8 | -72.6 | 161.1 | 0 | 0 | 0 | 109.8 | |||||
| 304 | N | 29.5 | Very low | 34.8 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -130.7 | 145.2 | 159.7 | -105.9 | -36.9 | 0 | 0 | 0 | 108.1 | ||||
| 305 | E | 32.7 | Very low | 34.7 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 63.7 | 151.5 | -176 | -46.7 | -169.9 | 118.1 | 0 | 0 | 113.4 | ||||
| 306 | V | 29.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | cis | -135.3 | 169.1 | 23.2 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 307 | L | 33.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 78.8 | 123.9 | 178.6 | -60.2 | 103.4 | 0 | 0 | 0 | 116 | ||||
| 308 | G | 32.4 | Very low | 34.9 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | cis | 163.5 | 121.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 309 | G | 29.6 | Very low | 34.8 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 91.8 | 154.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 310 | L | 31.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 68.1 | 124.4 | 175.8 | -79 | 71.9 | 0 | 0 | 0 | 115.3 | ||||
| 311 | L | 34.5 | Very low | 34.4 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | cis | -147.3 | 131.4 | -0.7 | -87.3 | 166.3 | 0 | 0 | 0 | 112.8 | ||||
| 312 | M | 37.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 74.6 | 120.8 | 138.5 | -60.1 | -57.4 | 173.8 | 0 | 0 | 124.8 | ||||
| 313 | T | 38.8 | Very low | 34.1 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | 81.3 | 78.1 | 133.8 | 52.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 314 | N | 32.4 | Very low | 34 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | 27.5 | 133.3 | 111.4 | -63.5 | -9.2 | 0 | 0 | 0 | 121 | |||||
| 315 | G | 38.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 67.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 316 | N | 34.7 | Very low | 34.6 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -59.9 | 144.7 | -174.8 | -63.9 | -11.4 | 0 | 0 | 0 | 114.8 | ||||
| 317 | R | 35.5 | Very low | 35 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | 177.4 | 115.5 | 104.8 | -93.2 | 166.3 | -168.4 | -174.9 | 4.9 | 115 | |||||
| 318 | N | 34 | Very low | 35.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | 27.5 | 133.6 | 123.5 | -42.3 | 4 | 0 | 0 | 0 | 119.4 | |||||
| 319 | Y | 34.8 | Very low | 35.3 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -173.6 | 121.7 | 90.1 | -114.7 | -92.1 | 0 | 0 | 0 | 115.3 | |||||
| 320 | V | 37.7 | Very low | 35.4 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 132.3 | 140.5 | 164.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 321 | N | 27.2 | Very low | 35.5 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -80.9 | 153.3 | 163 | -56.7 | -12.1 | 0 | 0 | 0 | 111.7 | ||||
| 322 | S | 37.7 | Very low | 35.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -157.8 | 154.5 | 131.6 | -88.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 323 | S | 33.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 156.7 | 173.2 | -49.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 324 | D | 37.8 | Very low | 34.8 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -170.7 | -176.6 | 98.5 | -91.5 | -21.2 | 0 | 0 | 0 | 111.3 | |||||
| 325 | T | 40 | Very low | 34.9 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -112.7 | 164.4 | -146.6 | 51.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 326 | E | 35 | Very low | 34.5 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 98.5 | 117.3 | 137.5 | -159 | 165.8 | 165.7 | 0 | 0 | 120.8 | ||||
| 327 | S | 36.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 69 | 137.5 | 158.1 | 76.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 328 | G | 35.6 | Very low | 34.2 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -174.7 | -32.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 329 | R | 36.7 | Very low | 34.2 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 70.9 | 151 | 178.3 | -48.4 | 175.3 | 164.9 | -139.6 | -1 | 118.3 | ||||
| 330 | H | 33.2 | Very low | 34 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | 72.6 | 142.1 | 161.4 | -52.7 | -61 | 0 | 0 | 0 | 118.9 | ||||
| 331 | G | 33.5 | Very low | 33.6 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 91 | 97.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 332 | A | 34 | Very low | 34 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | 84.8 | 130 | 61.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 333 | D | 31.1 | Very low | 33.8 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 111.9 | 168.8 | -48.9 | -30 | 0 | 0 | 0 | 119.7 | ||||
| 334 | M | 30.8 | Very low | 33.8 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | 173.5 | 101.8 | 112.7 | -90.1 | -66.6 | 158.8 | 0 | 0 | 110.2 | |||||
| 335 | L | 34.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -119.2 | 149.8 | 168.7 | -124.9 | 76.2 | 0 | 0 | 0 | 110 | ||||
| 336 | S | 30.2 | Very low | 33.1 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -67 | 131.6 | -172.6 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | Y338 | S336-Y338 PolarHBondContact O-N 3.36Å; S336-Y338 VanDerWaalsContact O-N 3.13Å | ||
| 337 | P | 31.9 | Very low | 32.9 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 50% | 0.5 | 79% | 0.792 | S | S | . | * | S | Bend | trans | -85.1 | 83.6 | -175.5 | 34.4 | -35 | 0 | 0 | 0 | 112 | F292 | F292-P337 HydrophobicContact CD1-CG 4.45Å; F292-P337 HydrophobicContact CE1-CG 3.69Å; F292-P337 HydrophobicContact CE2-CG 4.04Å; F292-P337 VanDerWaalsContact CZ-CD 3.5Å; F292-P337 HydrophobicContact CZ-CG 3.46Å; F292-P337 VanDerWaalsContact CZ-CG 3.46Å |
| 338 | Y | 31.5 | Very low | 32.6 | Very low | 196 Ų | 196 | 144 Ų | 144 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -151.1 | 33.5 | 168.6 | -111.6 | -63.4 | 0 | 0 | 0 | 116 | S336 | S336-Y338 PolarHBondContact O-N 3.36Å; S336-Y338 VanDerWaalsContact O-N 3.13Å | ||
| 339 | Q | 34.2 | Very low | 32.4 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -159.9 | 162 | 166.1 | -109.8 | 133.4 | 26.3 | 0 | 0 | 113.3 | ||||
| 340 | I | 31.7 | Very low | 32 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | 74 | 91.1 | 177.5 | -48.6 | 168.4 | 0 | 0 | 0 | 115.3 | ||||
| 341 | C | 29.5 | Very low | 32 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -153.6 | 66.1 | 134.2 | -95.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 342 | R | 34.3 | Very low | 32 | Very low | 218 Ų | 218 | 147 Ų | 147 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -110.9 | 158.3 | 151 | -87.3 | -164.5 | -178.7 | -171.2 | 1.5 | 107.4 | ||||
| 343 | D | 33 | Very low | 31.9 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 82 | 125.4 | 163.8 | -50.8 | -25.4 | 0 | 0 | 0 | 118.4 | ||||
| 344 | L | 33.9 | Very low | 31.9 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 71.2 | 101.8 | 159.7 | -87.2 | 59.7 | 0 | 0 | 0 | 121.1 | ||||
| 345 | E | 30.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | 18.6 | 133.9 | 120.1 | -53.4 | -179.5 | 135.3 | 0 | 0 | 119.9 | |||||
| 346 | M | 33 | Very low | 31.8 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 174.9 | 126.6 | 113.7 | -90.5 | -73.2 | 166.8 | 0 | 0 | 113.4 | |||||
| 347 | V | 30.6 | Very low | 32 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | 54.2 | 111 | 150.2 | -173.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 348 | G | 30.8 | Very low | 32.1 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -151.6 | 3.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 349 | R | 31.9 | Very low | 32.2 | Very low | 236 Ų | 236 | 143 Ų | 143 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 64.8 | 126.6 | 174.6 | -70.8 | 178.1 | 164.9 | 168 | -4.9 | 120.2 | ||||
| 350 | C | 27.9 | Very low | 32 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 62.7 | 142 | 133.7 | -59.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 351 | N | 32.9 | Very low | 32.1 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -161.7 | 150.7 | -2.4 | -101.5 | -2.6 | 0 | 0 | 0 | 110 | ||||
| 352 | S | 33.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 60.9 | 151.1 | 163.9 | 63.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 353 | V | 32.9 | Very low | 32 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -113.7 | 135.6 | 0.6 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 354 | C | 29.7 | Very low | 32.2 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 72% | 0.716 | 78% | 0.777 | S | S | * | * | trans | -130.4 | 131.2 | 159.1 | 46.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 355 | D | 30.6 | Very low | 32.1 | Very low | 164 Ų | 164 | 127 Ų | 127 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -99.7 | 126.6 | 160.3 | -104 | -49 | 0 | 0 | 0 | 107.3 | ||||
| 356 | S | 32.2 | Very low | 32.1 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -143.2 | 127.9 | -178.6 | -65.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 357 | A | 34.5 | Very low | 32.2 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -159.6 | 147.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 358 | D | 34.5 | Very low | 32.3 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -170.9 | -178.2 | -46.9 | -130.5 | -46.3 | 0 | 0 | 0 | 109.5 | ||||
| 359 | I | 33.2 | Very low | 32.5 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 66.9 | 123.9 | 163.8 | -21.4 | -174.1 | 0 | 0 | 0 | 114.1 | ||||
| 360 | S | 31.1 | Very low | 32.6 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | -171 | 150.6 | 53.2 | -162.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 361 | L | 32.5 | Very low | 33 | Very low | 153 Ų | 153 | 118.9 Ų | 118.9 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 26.4 | 142.1 | 149.3 | -82.8 | 52.2 | 0 | 0 | 0 | 120.3 | ||||
| 362 | C | 31.1 | Very low | 33 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | -170.1 | 166 | 4.2 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 363 | G | 32.3 | Very low | 33.3 | Very low | 66 Ų | 66 | 115.2 Ų | 115.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 158.4 | 156.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 364 | A | 35.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 148 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 365 | S | 32.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | -153 | 155.9 | -9.5 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 366 | S | 30.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -48.4 | 157 | 174 | -38.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 367 | H | 35.1 | Very low | 33.4 | Very low | 196 Ų | 196 | 116.2 Ų | 116.2 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | -165.6 | 146.7 | 109.7 | -95.8 | -63.4 | 0 | 0 | 0 | 112.1 | |||||
| 368 | S | 32.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 145.4 | -178.2 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 369 | G | 34.9 | Very low | 33.5 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -150.4 | 141.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 370 | S | 34.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -127.8 | 149.9 | -172.2 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 371 | G | 35.3 | Very low | 33.8 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 103.4 | 141.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 372 | G | 34 | Very low | 33.9 | Very low | 68 Ų | 68 | 115.6 Ų | 115.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 164.9 | 175.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 373 | S | 38.7 | Very low | 33.9 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 77 | 114.2 | 170.1 | 74.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 374 | N | 33 | Very low | 34 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | 74.1 | 103.2 | 127.1 | -55.7 | -5.9 | 0 | 0 | 0 | 121.7 | |||||
| 375 | C | 26.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -73 | 163.1 | 150.8 | -42.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 376 | P | 37.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -126.4 | 126.9 | 143.5 | 34.6 | -23.9 | 0 | 0 | 0 | 112.2 | ||||
| 377 | S | 31.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -117 | 129.5 | 170.7 | 49.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 378 | L | 35.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -149.8 | 123.1 | 180 | -75.8 | -179.2 | 0 | 0 | 0 | 113.2 | ||||
| 379 | L | 35.3 | Very low | 33.2 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 62.6 | 151.8 | 137.6 | -55.8 | 169.4 | 0 | 0 | 0 | 119.9 | ||||
| 380 | S | 32 | Very low | 32.9 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | -171.4 | 150.2 | -34.3 | -107.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 381 | P | 37.1 | Very low | 32.7 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -96.2 | 153.9 | -178.4 | 36.4 | -34.8 | 0 | 0 | 0 | 115.1 | ||||
| 382 | A | 35.3 | Very low | 32.6 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -144.1 | 123 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 383 | R | 30.9 | Very low | 32.4 | Very low | 246 Ų | 246 | 131.7 Ų | 131.7 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | 59.5 | 128.8 | 86.3 | -78.2 | -175.8 | 170.4 | -165.4 | -2.5 | 112.5 | |||||
| 384 | S | 34.5 | Very low | 32.1 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | cis | -178.5 | 165.6 | 16.7 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 385 | N | 31.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 70.4 | 152.5 | 145.1 | -69.6 | -0.2 | 0 | 0 | 0 | 119.1 | ||||
| 386 | V | 28.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -167.3 | 165.2 | -22.8 | 118.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 387 | A | 30.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 71.4 | 156.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 388 | H | 28.6 | Very low | 31.8 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -173.8 | 146 | -19.6 | 173.4 | -131.7 | 0 | 0 | 0 | 109.2 | ||||
| 389 | L | 31.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 68.1 | 147.9 | 177.7 | -55.2 | 160.1 | 0 | 0 | 0 | 116.7 | ||||
| 390 | G | 28.3 | Very low | 31.2 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | cis | 148.8 | 142.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 391 | S | 32.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 67.5 | 151.2 | 174.6 | -65.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 392 | R | 31.9 | Very low | 30.9 | Very low | 199 Ų | 199 | 127 Ų | 127 | 75% | 0.751 | 74% | 0.741 | S | S | * | * | cis | -157.8 | 140.5 | -8.1 | -113.1 | 174.5 | 151.5 | 154.6 | -4.8 | 108.9 | ||||
| 393 | E | 30.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | 48.7 | 141.4 | 96.7 | -55.9 | -173.2 | 118.7 | 0 | 0 | 116.3 | |||||
| 394 | S | 33.5 | Very low | 30.9 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -178.1 | 162.1 | -16 | -90.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 395 | S | 31.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 68.6 | 157.9 | 154.4 | -63.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 396 | L | 29.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | cis | -166 | 173.3 | -11.9 | -109.5 | 170.3 | 0 | 0 | 0 | 110.7 | ||||
| 397 | I | 30 | Very low | 31.5 | Very low | 161 Ų | 161 | 116.5 Ų | 116.5 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | 66.2 | 157.3 | 154.7 | 59.1 | 172.6 | 0 | 0 | 0 | 124.3 | ||||
| 398 | S | 29.8 | Very low | 31.7 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -85.4 | -178.3 | -175.3 | -45.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 399 | V | 30.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | cis | -162.4 | 165.8 | 42.7 | -73.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 400 | D | 29.2 | Very low | 32.2 | Very low | 134 Ų | 134 | 116 Ų | 116 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 36.2 | 119.4 | 147.1 | -84.5 | -73 | 0 | 0 | 0 | 127.6 | ||||
| 401 | S | 31.1 | Very low | 32.4 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 74 | 142.3 | 119.7 | -66.5 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 402 | A | 31.3 | Very low | 32.4 | Very low | 87 Ų | 87 | 117.9 Ų | 117.9 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | 100.4 | 162.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 403 | A | 32.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -131 | 163.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 404 | S | 33.8 | Very low | 32.4 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | 164 | 168.8 | 77.5 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 405 | G | 35 | Very low | 32.4 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 94.7 | 114.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 406 | S | 37 | Very low | 32.3 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | 79.4 | 131.8 | 69.4 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 407 | G | 34.1 | Very low | 32.8 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | 161 | 171 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 408 | N | 35.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 114.5 Ų | 114.5 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | 66.2 | 160.9 | 173.7 | -67 | -15.2 | 0 | 0 | 0 | 117.3 | ||||
| 409 | A | 35.1 | Very low | 32.9 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | cis | -148.6 | 140.2 | 11.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 410 | N | 33.6 | Very low | 33.1 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 42.5 | 124.1 | 133.9 | -62.7 | -6.4 | 0 | 0 | 0 | 125.2 | ||||
| 411 | S | 32.8 | Very low | 33 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 76.7 | 163.9 | 126.1 | 79 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 412 | T | 32.5 | Very low | 33.1 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | cis | -150.8 | 146.7 | 11 | 29.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 413 | N | 30.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 58.4 | 171.5 | 144.2 | -49.8 | -17.9 | 0 | 0 | 0 | 118.4 | ||||
| 414 | S | 31.1 | Very low | 33.4 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -158.2 | 158.4 | 8.5 | 80.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 415 | I | 33.8 | Very low | 33.4 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 55.9 | 117.4 | 149.8 | -56.9 | 162.1 | 0 | 0 | 0 | 116.8 | ||||
| 416 | G | 30.2 | Very low | 33.3 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 104.8 | 126.3 | 30.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 417 | M | 38.8 | Very low | 33.5 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 96% | 0.961 | 78% | 0.783 | S | S | * | * | trans | -171.2 | 161.2 | 149.3 | -102.5 | 175.1 | 91.3 | 0 | 0 | 109.8 | ||||
| 418 | S | 32.4 | Very low | 33.5 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -139.4 | 165.3 | -150.6 | -43.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 419 | N | 29.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 76.4 | 155.2 | 164.7 | -47.3 | -23.4 | 0 | 0 | 0 | 115.1 | ||||
| 420 | T | 34 | Very low | 33.3 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | cis | -131.2 | 175.4 | 15.5 | 38.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 421 | N | 28.9 | Very low | 33.3 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -80.6 | 158.8 | -172.8 | -40.5 | -79.4 | 0 | 0 | 0 | 115.2 | ||||
| 422 | I | 33.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | -159.6 | 122.3 | 125.3 | -90.4 | 143.4 | 0 | 0 | 0 | 107.8 | |||||
| 423 | P | 34 | Very low | 33.2 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -103.8 | 155 | 169.6 | 36.8 | -30.1 | 0 | 0 | 0 | 112.2 | ||||
| 424 | H | 35.4 | Very low | 33.2 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -125.4 | 150.3 | 170.9 | -130.1 | -85.6 | 0 | 0 | 0 | 110.6 | ||||
| 425 | S | 34.4 | Very low | 33.2 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 155 | -152.4 | -49.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 426 | D | 32.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -59 | 159.1 | 159.8 | -99.7 | -40 | 0 | 0 | 0 | 113.6 | ||||
| 427 | P | 41 | Very low | 33 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -124.2 | 139 | 139.5 | 35.9 | -25.9 | 0 | 0 | 0 | 112.2 | ||||
| 428 | G | 33.8 | Very low | 32.9 | Very low | 67 Ų | 67 | 143.8 Ų | 143.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -134.6 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 429 | E | 31.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 54% | 0.542 | 79% | 0.785 | S | S | . | * | trans | 69.9 | 136.1 | -178.6 | -34.7 | -154.6 | 141.6 | 0 | 0 | 114.6 | R619 | E429-R619 VanDerWaalsContact CG-NH1 3.34Å; E429-R619 WeakPolarHBondContact OE1-CD 3.32Å; E429-R619 IonicContact OE1-CZ 2.72Å; E429-R619 IonicContact OE1-NE 3.51Å; E429-R619 PolarHBondContact OE1-NE 2.86Å; E429-R619 IonicContact OE1-NH1 2.62Å; E429-R619 PolarHBondContact OE1-NH1 3.43Å; E429-R619 IonicContact OE2-NH1 2.7Å; E429-R619 PolarHBondContact OE2-NH1 3.34Å | ||
| 430 | T | 34.3 | Very low | 33.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | -170.4 | -179 | 54.8 | 41.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 431 | Q | 35.1 | Very low | 32.9 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 81.1 | 107.2 | 155.4 | -47.6 | -143.8 | 35.3 | 0 | 0 | 122.9 | ||||
| 432 | F | 31 | Very low | 33 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | 54.4 | 158.7 | 127.4 | -81.9 | -87.5 | 0 | 0 | 0 | 125.2 | |||||
| 433 | K | 30.9 | Very low | 33 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -95 | 142.6 | -175.2 | -57.3 | 170.1 | 179.1 | 173.8 | 0 | 111.9 | ||||
| 434 | T | 32.5 | Very low | 32.9 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -133.4 | 168.1 | 157.9 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 435 | L | 30 | Very low | 32.7 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -94.7 | 156.2 | -164.4 | -76.3 | 157.5 | 0 | 0 | 0 | 115.1 | ||||
| 436 | C | 28.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 69.3 | 147.9 | 145.8 | -71.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 437 | R | 30.7 | Very low | 32.7 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 71.1 | 119 | 153.7 | -132.6 | 174.6 | -169 | 165.7 | 0.8 | 118.2 | ||||
| 438 | P | 37.4 | Very low | 32.4 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -103.4 | 146 | 133.5 | -10.8 | 29.1 | 0 | 0 | 0 | 110.8 | ||||
| 439 | G | 30.4 | Very low | 32.4 | Very low | 57 Ų | 57 | 147.4 Ų | 147.4 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -177.5 | 148 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 440 | H | 36.3 | Very low | 32.5 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 64.9 | 109.7 | -178.7 | -54.8 | -76.1 | 0 | 0 | 0 | 117 | ||||
| 441 | Y | 29.2 | Very low | 32.3 | Very low | 234 Ų | 234 | 153.3 Ų | 153.3 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | trans | -86.4 | 163.3 | 134.4 | -107.8 | -96.8 | 0 | 0 | 0 | 109.8 | ||||
| 442 | R | 31.3 | Very low | 32.3 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -87.3 | 145.4 | -161.3 | -56.1 | 176.4 | -178.9 | -143.1 | -0.4 | 113 | ||||
| 443 | T | 31.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 61% | 0.607 | 79% | 0.786 | S | S | * | * | trans | -127.6 | 150.2 | 150.1 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | N853 | T443-N853 HydrophobicContact CG2-CB 4.35Å; T443-N853 WeakPolarHBondContact CG2-OD1 3.25Å | ||
| 444 | A | 32.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | -107.8 | 127.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N853 | A444-N853 PolarHBondContact N-ND2 2.92Å; A444-N853 VanDerWaalsContact N-ND2 3.15Å | ||
| 445 | S | 31.6 | Very low | 32.2 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 48.6 | 123.9 | 134.5 | -119.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 446 | N | 34 | Very low | 32.2 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | 104.2 | 122.2 | 143 | -56.8 | -5.1 | 0 | 0 | 0 | 116.9 | ||||
| 447 | G | 33.3 | Very low | 32.3 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 170.9 | -12.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | N449 | G447-N449 PolarHBondContact O-N 3.15Š| ||
| 448 | D | 33.4 | Very low | 32.3 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -66.7 | 130.3 | -177.7 | -65.5 | -58 | 0 | 0 | 0 | 113.1 | ||||
| 449 | N | 34.4 | Very low | 31.8 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -151.8 | 121.4 | 153.5 | -97.4 | -68.6 | 0 | 0 | 0 | 108.7 | G447 | G447-N449 PolarHBondContact O-N 3.15Š| ||
| 450 | D | 33.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -101 | 140.4 | -172.6 | 179.9 | 7.4 | 0 | 0 | 0 | 111 | S452 | D450-S452 PolarHBondContact OD1-N 2.84Š| ||
| 451 | F | 31.4 | Very low | 31.4 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -145.5 | 65.7 | 172.7 | -122.8 | -77.7 | 0 | 0 | 0 | 114.7 | ||||
| 452 | S | 33.8 | Very low | 31.6 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | trans | 39.7 | 115.2 | 132.4 | -85 | 0 | 0 | 0 | 0 | 120.9 | D450 | D450-S452 PolarHBondContact OD1-N 2.84Š| ||
| 453 | K | 32.9 | Very low | 31.7 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | 81.6 | 135.1 | 129.5 | -66.2 | 175.5 | -179.3 | 173 | 0 | 121.4 | |||||
| 454 | N | 28.8 | Very low | 31.7 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | 65.1 | 84.4 | 148.5 | -60.2 | -2.6 | 0 | 0 | 0 | 119.3 | ||||
| 455 | Y | 30.3 | Very low | 31.8 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | trans | -153.9 | 149.1 | 137.4 | -97.2 | -65.9 | 0 | 0 | 0 | 113.4 | ||||
| 456 | L | 30.8 | Very low | 32 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | 60 | 99.6 | 155.8 | -76.1 | 157.9 | 0 | 0 | 0 | 120.9 | ||||
| 457 | K | 30.6 | Very low | 32.1 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | -45.6 | 136.6 | 140.9 | -176 | 178.6 | 180 | 177.6 | 0 | 111.2 | ||||
| 458 | N | 31.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 69% | 0.686 | S | S | * | * | trans | 109.4 | 111 | 171.7 | -61.2 | -8.9 | 0 | 0 | 0 | 117.7 | ||||
| 459 | G | 26.8 | Very low | 32.1 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 60% | 0.598 | 67% | 0.671 | S | S | * | * | trans | 103.1 | 136.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 460 | F | 29.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | trans | 70.6 | 100.4 | 170.7 | -54.3 | -86.4 | 0 | 0 | 0 | 115.1 | K865 | F460-K865 HydrophobicContact CD1-CG 4.31Å; F460-K865 HydrophobicContact CD2-CD 4.44Å; F460-K865 HydrophobicContact CD2-CG 4.5Å; F460-K865 HydrophobicContact CG-CD 4.44Å; F460-K865 VanDerWaalsContact CG-CE 3.41Å; F460-K865 HydrophobicContact CG-CG 4.28Å | ||
| 461 | H | 28.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | 83.4 | 141.4 | 58 | -152.9 | -84.6 | 0 | 0 | 0 | 112.3 | |||||
| 462 | H | 33 | Very low | 32.3 | Very low | 61 Ų | 61 | 123 Ų | 123 | 28% | 0.282 | 62% | 0.62 | S | S | . | * | trans | 78.6 | 140.2 | -170.9 | -59 | -74.7 | 0 | 0 | 0 | 117.8 | F863 S864 | H462-F863 HydrophobicContact CB-CB 4.39Å; H462-F863 VanDerWaalsContact CD2-CB 3.47Å; H462-F863 WeakPolarHBondContact CD2-CB 3.32Å; H462-F863 PolarHBondContact CD2-O 3.2Å; H462-F863 VanDerWaalsContact CD2-O 3.22Å; H462-F863 WeakPolarHBondContact CE1-CB 3.31Å; H462-F863 VanDerWaalsContact CG-CB 3.45Å; H462-F863 WeakPolarHBondContact ND1-CB 3.43Å; H462-F863 WeakPolarHBondContact NE2-CB 3.48Å; H462-S864 VanDerWaalsContact CD2-CB 3.43Å; H462-S864 WeakPolarHBondContact CD2-CB 3.42Å; H462-S864 PolarHBondContact CD2-OG 3.15Å; H462-S864 PolarHBondContact NE2-OG 3.41Å | ||
| 463 | D | 33.4 | Very low | 32.2 | Very low | 45 Ų | 45 | 122.7 Ų | 122.7 | 24% | 0.241 | 62% | 0.618 | C | S | . | * | cis | -137.2 | 118.6 | -6.8 | -113 | -31.8 | 0 | 0 | 0 | 114.7 | I465 N860 F863 | D463-I465 HydrophobicContact CB-CD1 4.43Å; D463-I465 HydrophobicContact CB-CG1 4.1Å; D463-I465 PolarHBondContact O-N 2.82Å; D463-N860 PolarHBondContact N-OD1 2.85Å; D463-F863 WeakPolarHBondContact OD2-CD2 3.41Å | ||
| 464 | K | 33.3 | Very low | 32.3 | Very low | 187 Ų | 187 | 120 Ų | 120 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -87.2 | 83.1 | 152.3 | -80.2 | -170.8 | 174.7 | -173.4 | 0 | 107.4 | D466 | K464-D466 PolarHBondContact O-N 3.38Å; K464-D466 VanDerWaalsContact O-N 3.09Å | ||
| 465 | I | 34.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | trans | -74.5 | 98.8 | 163 | -67.7 | 169.9 | 0 | 0 | 0 | 106.2 | D463 S467 | D463-I465 HydrophobicContact CB-CD1 4.43Å; D463-I465 HydrophobicContact CB-CG1 4.1Å; D463-I465 PolarHBondContact O-N 2.82Å; I465-S467 PolarHBondContact O-N 3.4Å | ||
| 466 | D | 35.5 | Very low | 32.7 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | trans | -61.4 | 137.2 | 179.9 | -58.3 | -57.1 | 0 | 0 | 0 | 110.2 | K464 Y468 M469 | K464-D466 PolarHBondContact O-N 3.38Å; K464-D466 VanDerWaalsContact O-N 3.09Å; D466-Y468 PolarHBondContact O-N 2.88Å; D466-M469 HydrophobicContact CB-CB 4.23Å; D466-M469 HydrophobicContact CB-CG 3.93Å; D466-M469 WeakPolarHBondContact O-CB 3.44Å; D466-M469 PolarHBondContact O-N 3.39Å | ||
| 467 | S | 36 | Very low | 32.7 | Very low | 120 Ų | 120 | 112.9 Ų | 112.9 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -5.7 | 164.6 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | I465 | I465-S467 PolarHBondContact O-N 3.4Š|
| 468 | Y | 32.9 | Very low | 32.8 | Very low | 151 Ų | 151 | 108.8 Ų | 108.8 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -23.9 | 171.7 | -127.1 | -90.2 | 0 | 0 | 0 | 113.4 | D466 K472 | D466-Y468 PolarHBondContact O-N 2.88Å; Y468-K472 PolarHBondContact O-N 2.93Å |
| 469 | M | 33.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.3 | -35.9 | -178 | -83.8 | -79.7 | -83.1 | 0 | 0 | 112.1 | D466 A471 K472 S473 | D466-M469 HydrophobicContact CB-CB 4.23Å; D466-M469 HydrophobicContact CB-CG 3.93Å; D466-M469 WeakPolarHBondContact O-CB 3.44Å; D466-M469 PolarHBondContact O-N 3.39Å; M469-A471 PolarHBondContact O-N 3.42Å; M469-K472 CarbonylContact O-C 3.56Å; M469-K472 PolarHBondContact O-N 3.31Å; M469-S473 PolarHBondContact O-N 2.95Å; M469-S473 PolarHBondContact O-OG 3.24Å |
| 470 | V | 34.4 | Very low | 32.8 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -32.8 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | S473 | V470-S473 WeakPolarHBondContact CA-OG 3.35Å; V470-S473 PolarHBondContact O-OG 2.78Å; V470-S473 VanDerWaalsContact O-OG 3.1Å |
| 471 | A | 34.8 | Very low | 32.8 | Very low | 52 Ų | 52 | 115.1 Ų | 115.1 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.9 | -33.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M469 I475 | M469-A471 PolarHBondContact O-N 3.42Å; A471-I475 WeakPolarHBondContact O-CD1 3.47Å |
| 472 | K | 33.9 | Very low | 32.8 | Very low | 132 Ų | 132 | 116 Ų | 116 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.3 | -30.4 | 176.4 | -76 | -172.3 | 172.7 | -177.1 | 0 | 113.8 | Y468 M469 M474 I475 A476 | Y468-K472 PolarHBondContact O-N 2.93Å; M469-K472 CarbonylContact O-C 3.56Å; M469-K472 PolarHBondContact O-N 3.31Å; K472-M474 VanDerWaalsContact C-N 3.25Å; K472-M474 PolarHBondContact O-N 3.04Å; K472-I475 CarbonylContact O-C 3.56Å; K472-I475 WeakPolarHBondContact O-CA 3.26Å; K472-I475 WeakPolarHBondContact O-CB 3.41Å; K472-I475 PolarHBondContact O-N 3.46Å; K472-A476 PolarHBondContact O-N 2.89Å |
| 473 | S | 32 | Very low | 32.7 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.4 | -26.7 | 176.6 | 60 | 0 | 0 | 0 | 0 | 112.7 | M469 V470 I475 | M469-S473 PolarHBondContact O-N 2.95Å; M469-S473 PolarHBondContact O-OG 3.24Å; V470-S473 WeakPolarHBondContact CA-OG 3.35Å; V470-S473 PolarHBondContact O-OG 2.78Å; V470-S473 VanDerWaalsContact O-OG 3.1Å; S473-I475 PolarHBondContact O-N 2.83Å |
| 474 | M | 33.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 61% | 0.606 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -1.8 | 168.2 | -70.3 | -171.7 | -72.7 | 0 | 0 | 114.2 | K472 | K472-M474 VanDerWaalsContact C-N 3.25Å; K472-M474 PolarHBondContact O-N 3.04Å |
| 475 | I | 35.9 | Very low | 32.4 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 48% | 0.477 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.8 | -20.1 | 178.5 | -60.7 | 171.8 | 0 | 0 | 0 | 111 | A471 K472 S473 F477 L1389 | A471-I475 WeakPolarHBondContact O-CD1 3.47Å; K472-I475 CarbonylContact O-C 3.56Å; K472-I475 WeakPolarHBondContact O-CA 3.26Å; K472-I475 WeakPolarHBondContact O-CB 3.41Å; K472-I475 PolarHBondContact O-N 3.46Å; S473-I475 PolarHBondContact O-N 2.83Å; I475-F477 PolarHBondContact O-N 2.99Å; I475-L1389 HydrophobicContact CD1-CD1 4.11Å; I475-L1389 HydrophobicContact CG1-CD1 4.21Å; I475-L1389 HydrophobicContact CG2-CD1 4.41Å |
| 476 | A | 32 | Very low | 32.4 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.3 | -5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K472 S478 | K472-A476 PolarHBondContact O-N 2.89Å; A476-S478 PolarHBondContact O-N 3.39Å |
| 477 | F | 30.2 | Very low | 32.3 | Very low | 202 Ų | 202 | 126.5 Ų | 126.5 | 89% | 0.886 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -98.8 | 67.1 | 175.4 | -89.9 | -84.1 | 0 | 0 | 0 | 111.1 | I475 | I475-F477 PolarHBondContact O-N 2.99Š|
| 478 | S | 33.3 | Very low | 32.2 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | -152.4 | 5 | 172.8 | -158.4 | 0 | 0 | 0 | 0 | 116.2 | A476 | A476-S478 PolarHBondContact O-N 3.39Š| ||
| 479 | E | 28.4 | Very low | 32.3 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 86% | 0.855 | 68% | 0.679 | S | S | * | * | trans | -114.1 | 74.1 | 176.2 | -73.2 | -169.1 | 126 | 0 | 0 | 112 | ||||
| 480 | Q | 30 | Very low | 32.4 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -166.8 | 130 | 157.9 | -116.5 | 146.5 | 94.2 | 0 | 0 | 112.2 | ||||
| 481 | S | 29.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | 62.8 | 115.7 | 175.5 | -138.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 482 | Q | 29.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | cis | -150.9 | 137.5 | 35.6 | -69.1 | 150.9 | 88 | 0 | 0 | 111.4 | ||||
| 483 | L | 29.7 | Very low | 32.3 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 94% | 0.942 | 71% | 0.712 | S | S | * | * | trans | -148.5 | 87.7 | 153.1 | -85.6 | -173.9 | 0 | 0 | 0 | 109.3 | ||||
| 484 | T | 31.3 | Very low | 32.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | -100.7 | 151.6 | 157 | 49.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 485 | D | 29.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -170.2 | 149.1 | -11.9 | -100.2 | -44.8 | 0 | 0 | 0 | 104.8 | ||||
| 486 | S | 33.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | 171 | 129.6 | 144.1 | -83.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 487 | N | 33 | Very low | 31.9 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -59.4 | 157.9 | 174.3 | -47 | -56.4 | 0 | 0 | 0 | 113.1 | ||||
| 488 | N | 35.3 | Very low | 32 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 54% | 0.535 | 75% | 0.754 | S | S | . | * | 172.2 | 158.5 | 86.3 | -85.6 | -79.5 | 0 | 0 | 0 | 108.2 | N1354 | N488-N1354 PolarHBondContact OD1-ND2 2.67Š| |||
| 489 | N | 35.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 76% | 0.758 | S | S | * | * | cis | -167.6 | 166.9 | -25.8 | -155.7 | 41.8 | 0 | 0 | 0 | 109.3 | ||||
| 490 | D | 35 | Very low | 31.7 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 65.9 | 155.5 | 163.7 | -49.6 | -48.8 | 0 | 0 | 0 | 118.5 | ||||
| 491 | D | 35.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -155.2 | 156 | 10.8 | -156.1 | 2.3 | 0 | 0 | 0 | 115.2 | ||||
| 492 | N | 34 | Very low | 31.3 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 135.4 | 150.3 | -94.4 | -56.7 | 0 | 0 | 0 | 126.3 | ||||
| 493 | I | 31.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 129.6 | 142.8 | -73.3 | 163.3 | 0 | 0 | 0 | 118.3 | ||||
| 494 | T | 32.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | cis | -153.9 | 147.1 | 21.5 | -14.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 495 | T | 34 | Very low | 31.2 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | 48.1 | 145.4 | 147.7 | 47 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 496 | N | 27.4 | Very low | 31.4 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -116.1 | 153.6 | 175.9 | -164.9 | -2.8 | 0 | 0 | 0 | 110.4 | ||||
| 497 | G | 32.6 | Very low | 31.6 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -165.5 | 150.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 498 | Q | 32.3 | Very low | 31.5 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -121.1 | 154.6 | -163.1 | -60.6 | 175.4 | -64.2 | 0 | 0 | 114.9 | ||||
| 499 | N | 26.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | 14.2 | 115.4 | 153.4 | -69.8 | -42.3 | 0 | 0 | 0 | 119.1 | ||||
| 500 | Y | 28.1 | Very low | 31.4 | Very low | 244 Ų | 244 | 141.9 Ų | 141.9 | 96% | 0.957 | 75% | 0.745 | S | S | * | * | trans | -145.3 | 161.9 | 139.3 | -87.1 | -68.4 | 0 | 0 | 0 | 111 | ||||
| 501 | A | 25.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -120.4 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 502 | L | 26.1 | Very low | 31.3 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 85.1 | 126.3 | 173.5 | -59.7 | 162.7 | 0 | 0 | 0 | 117.3 | ||||
| 503 | R | 28.2 | Very low | 31.3 | Very low | 226 Ų | 226 | 147.7 Ų | 147.7 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 69.8 | 154 | 143.1 | -68.8 | 172.1 | -172.9 | -159.2 | 2 | 117.4 | ||||
| 504 | K | 26 | Very low | 31.3 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | cis | -168.8 | 179.6 | -26.3 | -160.8 | -169.9 | 159.9 | -67.4 | 0 | 105.3 | D506 | K504-D506 IonicContact NZ-OD2 3.57Å; K504-D506 PolarHBondContact NZ-OD2 3.02Å | ||
| 505 | D | 33.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 109.3 | 163.8 | -44.2 | -46.5 | 0 | 0 | 0 | 112.4 | ||||
| 506 | D | 35.4 | Very low | 31 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | 69.1 | 110.6 | 56.6 | -49.5 | -47.4 | 0 | 0 | 0 | 108 | K504 | K504-D506 IonicContact NZ-OD2 3.57Å; K504-D506 PolarHBondContact NZ-OD2 3.02Å | |||
| 507 | D | 38.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | cis | -146.4 | -158.8 | 48.1 | -87.2 | -51.7 | 0 | 0 | 0 | 113.9 | ||||
| 508 | N | 31.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | -175.9 | 106.8 | -79 | -90 | -44.4 | 0 | 0 | 0 | 113.4 | |||||
| 509 | E | 35.3 | Very low | 31.1 | Very low | 200 Ų | 200 | 153 Ų | 153 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -153.7 | 118 | 169.2 | -108.2 | 180 | -177.1 | 0 | 0 | 111.8 | ||||
| 510 | V | 32.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | cis | 105.9 | 95.4 | 0.9 | -171.4 | 0 | 0 | 0 | 0 | 117.6 | N512 | V510-N512 WeakPolarHBondContact CG1-ND2 3.38Š| ||
| 511 | E | 35 | Very low | 31.4 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 113.4 | 137.2 | -90.8 | -168.1 | 149.7 | 0 | 0 | 106.9 | ||||
| 512 | N | 32.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | cis | 73.5 | 85.5 | 46.6 | -83.9 | -29.3 | 0 | 0 | 0 | 117.1 | V510 | V510-N512 WeakPolarHBondContact CG1-ND2 3.38Š| ||
| 513 | I | 34.4 | Very low | 31.8 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | -131 | 155.5 | 128 | -62.8 | -171.9 | 0 | 0 | 0 | 107.6 | |||||
| 514 | K | 31.1 | Very low | 31.8 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | trans | -140.1 | 167 | -151.8 | -164 | 179.2 | -177.6 | -177.3 | 0 | 113 | ||||
| 515 | M | 32.5 | Very low | 32.1 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | 110.3 | 119.4 | 172.1 | -62.3 | -169.4 | -166.2 | 0 | 0 | 112.8 | ||||
| 516 | T | 28.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | 73.7 | 125.9 | 50.5 | 67.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 517 | D | 32.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | cis | -159.7 | 161.4 | 23.7 | -108.3 | -18.1 | 0 | 0 | 0 | 116.3 | ||||
| 518 | N | 32.2 | Very low | 32.1 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 146.8 | 145.7 | -64.4 | -34.8 | 0 | 0 | 0 | 125.2 | ||||
| 519 | E | 29.1 | Very low | 32.4 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -97.1 | 140.4 | 166 | -54.5 | 170.9 | 91.4 | 0 | 0 | 111.2 | ||||
| 520 | S | 32.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -175.9 | 113.2 | 144.7 | 36.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 521 | K | 27.6 | Very low | 32.9 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -6 | 124.8 | 135.3 | 175.4 | -162.2 | 177.8 | -171.2 | 0 | 117.9 | ||||
| 522 | L | 31.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -170.1 | -170.3 | 138.2 | -108 | 164.8 | 0 | 0 | 0 | 113.1 | ||||
| 523 | E | 28.4 | Very low | 33.8 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -126.6 | 153 | -160.3 | -57.2 | 171.3 | 124.9 | 0 | 0 | 114.8 | ||||
| 524 | M | 28 | Very low | 34.2 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 50.8 | 103.5 | 140.3 | -163.8 | 87.1 | 77.7 | 0 | 0 | 122.8 | ||||
| 525 | S | 32.5 | Very low | 34.8 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -174.7 | 129.3 | 140.8 | 49.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 526 | T | 29.5 | Very low | 35.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | 67.1 | 156.1 | 57.5 | 72.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 527 | D | 37.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 77.3 | 137.3 | 176.4 | -39.1 | 9.5 | 0 | 0 | 0 | 112.1 | ||||
| 528 | D | 38.3 | Very low | 36.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | cis | 163.4 | 132.8 | -25.5 | -97.8 | -22.3 | 0 | 0 | 0 | 103.1 | ||||
| 529 | D | 38.2 | Very low | 37.6 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -161.4 | 128.9 | 148.2 | -120.4 | -29.5 | 0 | 0 | 0 | 110.6 | ||||
| 530 | E | 39 | Very low | 38.3 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -102.4 | -157.1 | -177.7 | -59.8 | -174.3 | 119.8 | 0 | 0 | 110.9 | ||||
| 531 | N | 39.2 | Very low | 38.7 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 95.8 | 108.1 | 172 | -52.8 | -78.5 | 0 | 0 | 0 | 114.6 | ||||
| 532 | H | 44.7 | Very low | 39.5 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | 96.2 | 118.8 | 51.8 | -93 | -83 | 0 | 0 | 0 | 112 | D534 | H532-D534 IonicContact CE1-OD2 2.85Å; H532-D534 PolarHBondContact CE1-OD2 2.84Å; H532-D534 IonicContact CG-OD2 2.72Å; H532-D534 IonicContact ND1-OD2 2.73Å; H532-D534 PolarHBondContact ND1-OD2 3.19Å | |||
| 533 | D | 41.4 | Very low | 39.9 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | 173.2 | 67.5 | 146.5 | -96.5 | -11.4 | 0 | 0 | 0 | 105.8 | ||||
| 534 | D | 44.3 | Very low | 40.3 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | 69.9 | 148.9 | 83 | -96.5 | -50.4 | 0 | 0 | 0 | 116.8 | H532 | H532-D534 IonicContact CE1-OD2 2.85Å; H532-D534 PolarHBondContact CE1-OD2 2.84Å; H532-D534 IonicContact CG-OD2 2.72Å; H532-D534 IonicContact ND1-OD2 2.73Å; H532-D534 PolarHBondContact ND1-OD2 3.19Å | |||
| 535 | S | 44 | Very low | 40.8 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 75.9 | 140.2 | 163.9 | 76.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 536 | N | 43.7 | Very low | 41.1 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | cis | -175.1 | 177.1 | -32.2 | -121.5 | 26.8 | 0 | 0 | 0 | 110.8 | ||||
| 537 | D | 45.9 | Very low | 41.6 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | 64.9 | 144.3 | 154.2 | -51.1 | -15.9 | 0 | 0 | 0 | 119 | ||||
| 538 | D | 46.8 | Very low | 41.5 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -165.1 | 168.6 | -22.6 | -118.5 | -12.5 | 0 | 0 | 0 | 112.3 | ||||
| 539 | D | 46.6 | Very low | 41.5 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 5.6 | 162.2 | 145.6 | -93 | 4.4 | 0 | 0 | 0 | 122.7 | ||||
| 540 | V | 45 | Very low | 41.5 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | cis | -178.1 | 161.4 | -24.6 | 118.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 541 | G | 41.5 | Very low | 41.6 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | 145.2 | 120.2 | 167 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 542 | D | 44.1 | Very low | 41.6 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 95% | 0.952 | 75% | 0.747 | S | S | * | * | 76.5 | 132.1 | 61.4 | -164.7 | 58.2 | 0 | 0 | 0 | 113.2 | |||||
| 543 | G | 38.8 | Very low | 41.3 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | cis | 178.3 | 169 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 544 | G | 37.7 | Very low | 41.1 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | 78.1 | 170.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 545 | E | 37.7 | Very low | 40.7 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | cis | -159.5 | 138.7 | -8.9 | 108.1 | 165.2 | -118.4 | 0 | 0 | 113.8 | ||||
| 546 | Y | 39.4 | Very low | 40.4 | Very low | 201 Ų | 201 | 122.8 Ų | 122.8 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | 57 | 170 | 155.9 | -64 | -124.1 | 0 | 0 | 0 | 119.2 | ||||
| 547 | V | 39.1 | Very low | 40 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | cis | -137.9 | 158.8 | 10.4 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 548 | E | 35.2 | Very low | 39.5 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -43.1 | 171.7 | 166.5 | -64.3 | 172 | 107 | 0 | 0 | 117.1 | ||||
| 549 | V | 38.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | cis | -151.1 | 138 | 43.1 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 550 | G | 39.1 | Very low | 38.2 | Very low | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | 95.3 | 128.9 | 54.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 551 | S | 40.6 | Very low | 37.7 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | cis | -141.3 | -149.3 | 1.8 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 552 | D | 39 | Very low | 37.2 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | cis | -160.1 | -160.7 | 9.1 | -152 | -92.9 | 0 | 0 | 0 | 111.8 | ||||
| 553 | S | 40.1 | Very low | 36.5 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 158 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 554 | G | 36.1 | Very low | 36.5 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | cis | -163.2 | -174.4 | -2.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 555 | N | 36.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | cis | -146.8 | 150.8 | 9.9 | -101.8 | -6.6 | 0 | 0 | 0 | 108.2 | ||||
| 556 | A | 36.5 | Very low | 36.1 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 70.5 | 129.2 | 71.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 557 | P | 37.1 | Very low | 35.8 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | -139.8 | 164 | -117.3 | 40.4 | -23.4 | 0 | 0 | 0 | 118.4 | |||||
| 558 | A | 35.3 | Very low | 35.5 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -149.1 | 122.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 559 | H | 31.1 | Very low | 35.3 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | 90.9 | 132.2 | 60.9 | -103.5 | -88.4 | 0 | 0 | 0 | 114.5 | |||||
| 560 | L | 34.5 | Very low | 35 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 73.3 | 109.4 | 174.5 | -55 | 170.5 | 0 | 0 | 0 | 114.8 | ||||
| 561 | S | 33.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | 81.9 | 103.6 | 60.6 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 562 | N | 32.4 | Very low | 34.1 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | cis | 128.1 | 132.4 | 38.3 | -92.8 | -15.3 | 0 | 0 | 0 | 105.3 | ||||
| 563 | N | 28.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -76.2 | 137.3 | -170.2 | -70.8 | -37.4 | 0 | 0 | 0 | 114 | T565 | N563-T565 PolarHBondContact O-N 3.1Å; N563-T565 PolarHBondContact O-OG1 3.42Å | ||
| 564 | P | 38.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | -71.2 | 107.7 | 153 | 30.3 | -29.3 | 0 | 0 | 0 | 107.7 | ||||
| 565 | T | 32.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | 71.1 | 90.8 | 57.7 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | N563 | N563-T565 PolarHBondContact O-N 3.1Å; N563-T565 PolarHBondContact O-OG1 3.42Å | |||
| 566 | S | 34.1 | Very low | 32.8 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | 55.7 | 151.7 | 123 | -43.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 567 | P | 33.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | -120.3 | 132.4 | 72.4 | 35.8 | -31.2 | 0 | 0 | 0 | 114.6 | |||||
| 568 | S | 32.6 | Very low | 32.1 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -96.9 | 144.4 | 165.8 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 569 | L | 32.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 126 Ų | 126 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -172 | 96.8 | 152.9 | -93.1 | 173 | 0 | 0 | 0 | 104.9 | ||||
| 570 | S | 30.6 | Very low | 31.9 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | 93.4 | 145.4 | 54.3 | 70 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 571 | N | 30.6 | Very low | 31.7 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 83% | 0.829 | 70% | 0.702 | S | S | * | * | trans | 76.4 | 139.9 | 166.3 | -62.6 | -1.9 | 0 | 0 | 0 | 117.2 | ||||
| 572 | S | 30.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | cis | -159.9 | 159.5 | -16.1 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | P904 | S572-P904 WeakPolarHBondContact O-CG 3.35Š| ||
| 573 | A | 32.8 | Very low | 32.2 | Very low | 49 Ų | 49 | 127.3 Ų | 127.3 | 41% | 0.405 | 70% | 0.702 | S | S | . | * | trans | 59.3 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P904 | A573-P904 HydrophobicContact CB-CB 3.59Å; A573-P904 HydrophobicContact CB-CG 4.28Å | ||
| 574 | N | 32.1 | Very low | 33 | Very low | 94 Ų | 94 | 126 Ų | 126 | 50% | 0.503 | 70% | 0.702 | S | S | . | * | cis | -149.4 | 159.7 | -29.2 | -102.6 | 1 | 0 | 0 | 0 | 105.3 | L903 P904 | N574-L903 HydrophobicContact CB-CD1 4.38Å; N574-L903 HydrophobicContact CB-CD2 4.05Å; N574-P904 HydrophobicContact CB-CB 4.14Å | ||
| 575 | Q | 29.4 | Very low | 32.8 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | cis | 77.7 | 77 | 35.3 | -59.7 | -156.4 | 40.2 | 0 | 0 | 116.7 | L903 | Q575-L903 VanDerWaalsContact C-CD1 3.46Š| ||
| 576 | H | 30.9 | Very low | 32.8 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | trans | -159.2 | 69.9 | 134.1 | -139.5 | -65.2 | 0 | 0 | 0 | 111.5 | L903 | H576-L903 HydrophobicContact CB-CD1 4.19Å; H576-L903 VanDerWaalsContact N-CD1 3.31Å | ||
| 577 | F | 27.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | 29.2 | 112.7 | 105 | -91.9 | -86.1 | 0 | 0 | 0 | 114.9 | |||||
| 578 | L | 32.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | -164.8 | 132.2 | 94.8 | -102.5 | 173.2 | 0 | 0 | 0 | 113.5 | |||||
| 579 | L | 28.9 | Very low | 33 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -88 | 137.7 | 161 | -153.8 | 82.3 | 0 | 0 | 0 | 107.5 | ||||
| 580 | E | 31.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | trans | -144.4 | 97.2 | 163.6 | -154.5 | 172 | -150.5 | 0 | 0 | 112.6 | Y582 | E580-Y582 HydrophobicContact CG-CD2 4Å; E580-Y582 HydrophobicContact CG-CE2 4.36Å | ||
| 581 | N | 31.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -88 | 137.1 | 163.7 | -83.8 | -57.2 | 0 | 0 | 0 | 109.3 | ||||
| 582 | Y | 33.6 | Very low | 33.7 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | trans | -142.5 | 97.1 | 168.1 | -107.9 | -66.3 | 0 | 0 | 0 | 112.3 | E580 | E580-Y582 HydrophobicContact CG-CD2 4Å; E580-Y582 HydrophobicContact CG-CE2 4.36Å | ||
| 583 | P | 41.8 | Very low | 33.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -80.5 | 147.3 | 162 | 33.2 | -32 | 0 | 0 | 0 | 110.6 | I585 | P583-I585 PolarHBondContact O-N 3.38Š| ||
| 584 | P | 45.2 | Very low | 34.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -78.1 | 123 | 178.6 | 30.2 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 585 | I | 34.7 | Very low | 34.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | -27.4 | 131 | 162.9 | -57.9 | 158.1 | 0 | 0 | 0 | 113.4 | P583 | P583-I585 PolarHBondContact O-N 3.38Š| ||
| 586 | T | 33.2 | Very low | 34.9 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -127.9 | 131.8 | 150 | -51.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 587 | A | 35.1 | Very low | 35.3 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -93.2 | 145.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 588 | T | 32.6 | Very low | 35.8 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -127.4 | 109.5 | 171.2 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 589 | T | 36.1 | Very low | 36.3 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -85.7 | 136.2 | 175.9 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 590 | T | 33 | Very low | 36.5 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -77.8 | 138.6 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 591 | G | 36.5 | Very low | 36.8 | Very low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | 156.8 | 76.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 592 | T | 38.6 | Very low | 37 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | 66 | 101.5 | 100.7 | 60.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 593 | T | 34.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 54.2 | 112.5 | 140.3 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 594 | G | 37.5 | Very low | 37 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 158.6 | 95.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 595 | D | 35.4 | Very low | 36.6 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 166.7 | 159.1 | -59 | -75.2 | 0 | 0 | 0 | 110.9 | ||||
| 596 | P | 41.2 | Very low | 36.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -119 | -141.1 | -24.7 | 33.9 | -11.6 | 0 | 0 | 0 | 107.6 | ||||
| 597 | P | 40.6 | Very low | 36.4 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -133.6 | -169.2 | -14.5 | 43.4 | -24.8 | 0 | 0 | 0 | 115.5 | ||||
| 598 | I | 36.6 | Very low | 36.4 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 140.8 | 175.3 | -62.4 | 155.4 | 0 | 0 | 0 | 113 | N600 | I598-N600 HydrophobicContact CG2-CB 4.4Š| ||
| 599 | P | 42.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -110.3 | 133.5 | 135.2 | -9.9 | 28.7 | 0 | 0 | 0 | 112.4 | ||||
| 600 | N | 34.7 | Very low | 36.2 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -91.4 | 177.6 | 174.8 | -133.3 | -35 | 0 | 0 | 0 | 110.4 | I598 | I598-N600 HydrophobicContact CG2-CB 4.4Š| ||
| 601 | S | 36.9 | Very low | 36.2 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 89 | 127.6 | 171.5 | -160.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 602 | G | 37 | Very low | 36 | Very low | 60 Ų | 60 | 130.4 Ų | 130.4 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | cis | 166.2 | -168.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 603 | R | 37.6 | Very low | 35.6 | Very low | 227 Ų | 227 | 127.9 Ų | 127.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | 70.3 | 95.4 | -179.4 | -58.4 | -172.7 | 175.2 | -140.8 | -5.5 | 113.7 | ||||
| 604 | H | 38.4 | Very low | 35.4 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | 64.3 | 144.1 | 70.5 | -49.3 | -45.9 | 0 | 0 | 0 | 111.9 | |||||
| 605 | T | 35.2 | Very low | 35.2 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -157.1 | 143.3 | 28.5 | -6.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 606 | I | 32.6 | Very low | 35 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 41.5 | 132.6 | 118.5 | -62.8 | 179.5 | 0 | 0 | 0 | 117.2 | |||||
| 607 | S | 32.6 | Very low | 34.9 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | cis | -159.4 | 177.8 | 18.6 | -124.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 608 | S | 35.4 | Very low | 34.4 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | cis | -154.7 | 153.6 | -3.4 | 47 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 609 | A | 31.6 | Very low | 34 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | trans | -20.8 | 156.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 610 | Y | 32.9 | Very low | 33.3 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | cis | -125.6 | 138.5 | 36.6 | -92.1 | -112.5 | 0 | 0 | 0 | 113.1 | ||||
| 611 | E | 32.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 49% | 0.491 | 71% | 0.711 | S | S | . | * | 61 | 138 | 89.8 | -56.9 | -149.9 | 146.7 | 0 | 0 | 115.6 | |||||
| 612 | R | 31.5 | Very low | 32.9 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 53% | 0.525 | 71% | 0.708 | S | S | . | * | cis | -151.4 | 175.8 | -4.5 | -118.2 | 176.2 | -146 | -116.3 | -3.9 | 109.3 | ||||
| 613 | G | 30 | Very low | 32.6 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -74 | -177.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 614 | G | 30.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | cis | 173.7 | -148.5 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 615 | H | 32.8 | Very low | 31.7 | Very low | 197 Ų | 197 | 117.4 Ų | 117.4 | 91% | 0.912 | 71% | 0.708 | S | S | * | * | trans | 69.8 | 100.4 | 175 | -61.8 | -80.5 | 0 | 0 | 0 | 117.9 | ||||
| 616 | A | 31.6 | Very low | 31.3 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | -72 | -172.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 617 | P | 38.4 | Very low | 31.4 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | cis | -137.6 | -166.1 | 3.5 | 42.6 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 618 | A | 30 | Very low | 31.4 | Very low | 84 Ų | 84 | 120.3 Ų | 120.3 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | 68.8 | 155.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 619 | R | 28.6 | Very low | 31.5 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | cis | -168.6 | 165.4 | -23.9 | 169.8 | 167.2 | 166.8 | 149.9 | -5.5 | 107.3 | E429 | E429-R619 VanDerWaalsContact CG-NH1 3.34Å; E429-R619 WeakPolarHBondContact OE1-CD 3.32Å; E429-R619 IonicContact OE1-CZ 2.72Å; E429-R619 IonicContact OE1-NE 3.51Å; E429-R619 PolarHBondContact OE1-NE 2.86Å; E429-R619 IonicContact OE1-NH1 2.62Å; E429-R619 PolarHBondContact OE1-NH1 3.43Å; E429-R619 IonicContact OE2-NH1 2.7Å; E429-R619 PolarHBondContact OE2-NH1 3.34Å | ||
| 620 | A | 29.8 | Very low | 31.6 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | 68.3 | 160.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 621 | S | 30.9 | Very low | 31.7 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | cis | -164.7 | 137.1 | -26.6 | -101.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 622 | I | 31.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 118 Ų | 118 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 60.9 | 149.1 | 140.4 | -43.1 | 158.3 | 0 | 0 | 0 | 119.2 | ||||
| 623 | T | 30.1 | Very low | 31.8 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 95.4 | 136.5 | 147.5 | 5.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 624 | A | 28.2 | Very low | 31.9 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | 62 | 94.2 | 141 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 625 | L | 28.6 | Very low | 32.2 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | trans | -118.1 | 97.9 | 135 | -74.5 | 178.3 | 0 | 0 | 0 | 109.4 | F627 | L625-F627 HydrophobicContact CB-CE2 4.26Š| ||
| 626 | S | 28.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 112.4 Ų | 112.4 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -74.9 | 136.8 | 160.8 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 627 | F | 34.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 115.4 Ų | 115.4 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | -112.3 | 112 | 173.2 | -89.8 | -88.5 | 0 | 0 | 0 | 109.8 | L625 | L625-F627 HydrophobicContact CB-CE2 4.26Š| ||
| 628 | N | 31.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 149.3 | 165.5 | -99.8 | -43.7 | 0 | 0 | 0 | 110.2 | ||
| 629 | P | 37.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 158.2 | -175 | 33.1 | -36.2 | 0 | 0 | 0 | 113 | ||
| 630 | P | 33.2 | Very low | 33.6 | Very low | 128 Ų | 128 | 111.8 Ų | 111.8 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 130.7 | 179.8 | 33.5 | -32.9 | 0 | 0 | 0 | 113 | ||
| 631 | V | 35.9 | Very low | 34.1 | Very low | 139 Ų | 139 | 114 Ų | 114 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | trans | -133.6 | 126.4 | 159.3 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 632 | G | 34.6 | Very low | 34.4 | Very low | 60 Ų | 60 | 116.4 Ų | 116.4 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | trans | -91.3 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 633 | K | 31.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 114 Ų | 114 | 51% | 0.509 | 71% | 0.706 | S | S | . | * | trans | -134.7 | 162.9 | 165 | -93.1 | 172.5 | 173.4 | -177.9 | 0 | 108.1 | H1157 Y1158 | K633-H1157 HydrophobicContact CB-CB 4.12Å; K633-Y1158 WeakPolarHBondContact CB-O 3.34Å; K633-Y1158 HydrophobicContact CD-CD2 4.39Å; K633-Y1158 HydrophobicContact CD-CG 4.15Å; K633-Y1158 PolarHBondContact N-O 2.89Å | ||
| 634 | A | 32 | Very low | 34.6 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | trans | -130.5 | 160 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1157 | A634-H1157 WeakPolarHBondContact O-CB 3.37Š| ||
| 635 | S | 37.8 | Very low | 35.1 | Very low | 65 Ų | 65 | 115.9 Ų | 115.9 | 46% | 0.455 | 71% | 0.714 | S | S | . | * | trans | -146.5 | 159.2 | 167.7 | -167.8 | 0 | 0 | 0 | 0 | 108.3 | K1155 L1156 | S635-K1155 WeakPolarHBondContact CB-O 3.42Å; S635-K1155 PolarHBondContact OG-O 2.89Å; S635-L1156 WeakPolarHBondContact CB-O 3.41Å | ||
| 636 | S | 39.9 | Very low | 35.4 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -158.2 | 144.5 | -172.7 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 637 | K | 38 | Very low | 35.6 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | -168 | 140.2 | 150 | -105.3 | 171.5 | 164.9 | -132.9 | 0 | 109.1 | ||||
| 638 | D | 37 | Very low | 35.7 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 52% | 0.519 | 71% | 0.711 | S | S | . | * | cis | 89.7 | 116 | 16.9 | -177.4 | 39.7 | 0 | 0 | 0 | 117.4 | ||||
| 639 | S | 38.1 | Very low | 36 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | -177.8 | 119.8 | 129.5 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 640 | G | 36.6 | Very low | 35.7 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | 80.8 | 161.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 641 | V | 40.6 | Very low | 35.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | cis | -152.9 | 137.4 | 2.8 | -159.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 642 | D | 36.3 | Very low | 35.5 | Very low | 143 Ų | 143 | 121.6 Ų | 121.6 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | 48.1 | 159 | 153.5 | -77.5 | -32.4 | 0 | 0 | 0 | 123.3 | ||||
| 643 | S | 36.4 | Very low | 35.7 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | -170.1 | 152.3 | -33.4 | -108.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 644 | S | 31.1 | Very low | 35.8 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 50.8 | 110.1 | 162 | 175.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 645 | T | 38.6 | Very low | 36 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | -158.5 | 143.9 | 125.7 | -72.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 646 | V | 34.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -97.6 | 174 | -176.4 | 174.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 647 | L | 32.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 105.6 | 129.1 | 177.5 | -59.2 | 172.8 | 0 | 0 | 0 | 112.4 | ||||
| 648 | Y | 36.3 | Very low | 36 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | cis | -139.2 | 151.1 | 3.7 | -107 | -82.9 | 0 | 0 | 0 | 110.9 | ||||
| 649 | P | 37.7 | Very low | 36.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -91.5 | 169.7 | 168.6 | 36.5 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 650 | K | 30 | Very low | 36.5 | Very low | 205 Ų | 205 | 129.2 Ų | 129.2 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | 79.2 | 88.6 | 174.5 | -55.2 | -178.3 | 179.9 | -179.2 | 0 | 117.6 | ||||
| 651 | Q | 32.3 | Very low | 37.2 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 94% | 0.935 | 74% | 0.738 | S | S | * | * | trans | -137.1 | 129.5 | 137.1 | -98.8 | 178.8 | -8.8 | 0 | 0 | 108.2 | ||||
| 652 | A | 32.8 | Very low | 38.2 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 127 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 653 | V | 39 | Very low | 39.1 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.1 | 168.7 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 654 | P | 34.2 | Very low | 40 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 145.2 | 179.8 | 26.4 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 655 | P | 36.8 | Very low | 41.3 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145.4 | 172.8 | -23.7 | 33.7 | 0 | 0 | 0 | 111.3 | V657 | P655-V657 PolarHBondContact O-N 3.05Š|
| 656 | P | 44.6 | Very low | 42.4 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | trans | -60.7 | 113.5 | 177.2 | 25.1 | -33.3 | 0 | 0 | 0 | 109.8 | Y658 | P656-Y658 WeakPolarHBondContact O-CD2 3.31Å; P656-Y658 PolarHBondContact O-N 3.4Å; P656-Y658 VanDerWaalsContact O-N 3.11Å | ||
| 657 | V | 39.6 | Very low | 43.6 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -72.7 | 107 | -175.1 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | P655 T659 | P655-V657 PolarHBondContact O-N 3.05Å; V657-T659 HydrophobicContact CG1-CG2 3.67Å; V657-T659 PolarHBondContact O-N 2.92Å | ||
| 658 | Y | 31.2 | Very low | 44.7 | Very low | 196 Ų | 196 | 118.6 Ų | 118.6 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -71.3 | 49.9 | 174 | -76.4 | -87.2 | 0 | 0 | 0 | 112.7 | P656 N660 | P656-Y658 WeakPolarHBondContact O-CD2 3.31Å; P656-Y658 PolarHBondContact O-N 3.4Å; P656-Y658 VanDerWaalsContact O-N 3.11Å; Y658-N660 PolarHBondContact O-N 3.42Å | ||
| 659 | T | 37.9 | Very low | 45.5 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 116.6 | 172.6 | 30.9 | 0 | 0 | 0 | 0 | 110.2 | V657 | V657-T659 HydrophobicContact CG1-CG2 3.67Å; V657-T659 PolarHBondContact O-N 2.92Å |
| 660 | N | 46.5 | Very low | 46.1 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 41% | 0.412 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69 | 53.5 | 173.7 | -59.7 | -66.1 | 0 | 0 | 0 | 117 | Y658 I662 Q663 L664 | Y658-N660 PolarHBondContact O-N 3.42Å; N660-I662 PolarHBondContact O-N 3.16Å; N660-Q663 HydrophobicContact CB-CB 3.61Å; N660-Q663 HydrophobicContact CB-CG 3.59Å; N660-Q663 PolarHBondContact O-N 2.91Å; N660-Q663 PolarHBondContact OD1-NE2 2.83Å; N660-L664 PolarHBondContact O-N 3.29Å |
| 661 | L | 52.1 | Low | 47 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -48.8 | -34.5 | 152 | -159.7 | 75.2 | 0 | 0 | 0 | 111.1 | L664 A665 | L661-L664 PolarHBondContact O-N 2.86Å; L661-A665 WeakPolarHBondContact O-CB 3.39Å; L661-A665 PolarHBondContact O-N 3.06Å |
| 662 | I | 60.6 | Low | 47.5 | Very low | 138 Ų | 138 | 114 Ų | 114 | 71% | 0.708 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -42.8 | 173.3 | -63 | 170 | 0 | 0 | 0 | 112.6 | N660 L664 A665 H666 | N660-I662 PolarHBondContact O-N 3.16Å; I662-L664 VanDerWaalsContact C-N 3.34Å; I662-A665 PolarHBondContact O-N 3.33Å; I662-H666 WeakPolarHBondContact O-CB 3.44Å; I662-H666 PolarHBondContact O-N 3.29Å |
| 663 | Q | 55.2 | Low | 47.7 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.8 | -28.3 | 176.1 | -62.2 | 173.5 | 2.9 | 0 | 0 | 111.8 | N660 H666 A667 | N660-Q663 HydrophobicContact CB-CB 3.61Å; N660-Q663 HydrophobicContact CB-CG 3.59Å; N660-Q663 PolarHBondContact O-N 2.91Å; N660-Q663 PolarHBondContact OD1-NE2 2.83Å; Q663-H666 PolarHBondContact O-N 2.88Å; Q663-A667 WeakPolarHBondContact O-CB 3.48Å; Q663-A667 PolarHBondContact O-N 2.88Å |
| 664 | L | 56.5 | Low | 47.7 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.7 | -43.4 | 172.5 | -164.3 | 68.5 | 0 | 0 | 0 | 110.9 | N660 L661 I662 A667 A668 | N660-L664 PolarHBondContact O-N 3.29Å; L661-L664 PolarHBondContact O-N 2.86Å; I662-L664 VanDerWaalsContact C-N 3.34Å; L664-A667 PolarHBondContact O-N 3.12Å; L664-A668 WeakPolarHBondContact O-CB 3.45Å; L664-A668 PolarHBondContact O-N 3.19Å |
| 665 | A | 59.1 | Low | 47.6 | Very low | 50 Ų | 50 | 113.7 Ų | 113.7 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L661 I662 A667 A668 Q669 | L661-A665 WeakPolarHBondContact O-CB 3.39Å; L661-A665 PolarHBondContact O-N 3.06Å; I662-A665 PolarHBondContact O-N 3.33Å; A665-A667 VanDerWaalsContact C-N 3.34Å; A665-A667 PolarHBondContact O-N 2.79Å; A665-A668 PolarHBondContact O-N 3.33Å; A665-Q669 WeakPolarHBondContact O-CB 3.3Å; A665-Q669 VanDerWaalsContact O-CG 3.29Å; A665-Q669 WeakPolarHBondContact O-CG 3.32Å; A665-Q669 PolarHBondContact O-N 3.47Å |
| 666 | H | 61.4 | Low | 47.4 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 40% | 0.398 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.1 | -26.3 | 177.9 | -168.1 | -113.4 | 0 | 0 | 0 | 112.8 | I662 Q663 R670 | I662-H666 WeakPolarHBondContact O-CB 3.44Å; I662-H666 PolarHBondContact O-N 3.29Å; Q663-H666 PolarHBondContact O-N 2.88Å; H666-R670 VanDerWaalsContact CE1-CZ 3.45Å; H666-R670 PolarHBondContact CE1-NE 2.87Å; H666-R670 PolarHBondContact CE1-NH2 2.66Å; H666-R670 VanDerWaalsContact O-CB 3.31Å; H666-R670 WeakPolarHBondContact O-CB 3.36Å; H666-R670 VanDerWaalsContact O-CG 3.26Å; H666-R670 WeakPolarHBondContact O-CG 3.39Å; H666-R670 PolarHBondContact O-N 3.46Å |
| 667 | A | 60.4 | Low | 46.7 | Very low | 50 Ų | 50 | 116.9 Ų | 116.9 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.9 | -35.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q663 L664 A665 R670 K671 | Q663-A667 WeakPolarHBondContact O-CB 3.48Å; Q663-A667 PolarHBondContact O-N 2.88Å; L664-A667 PolarHBondContact O-N 3.12Å; A665-A667 VanDerWaalsContact C-N 3.34Å; A665-A667 PolarHBondContact O-N 2.79Å; A667-R670 PolarHBondContact O-N 3.41Å; A667-K671 PolarHBondContact O-N 2.91Å |
| 668 | A | 54.1 | Low | 46.1 | Very low | 43 Ų | 43 | 116.9 Ų | 116.9 | 36% | 0.355 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.3 | -50.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L664 A665 R670 K671 F672 | L664-A668 WeakPolarHBondContact O-CB 3.45Å; L664-A668 PolarHBondContact O-N 3.19Å; A665-A668 PolarHBondContact O-N 3.33Å; A668-R670 PolarHBondContact O-N 3.24Å; A668-K671 CarbonylContact O-C 3.44Å; A668-K671 WeakPolarHBondContact O-CA 3.48Å; A668-K671 WeakPolarHBondContact O-CB 3.26Å; A668-K671 PolarHBondContact O-N 3.4Å; A668-F672 WeakPolarHBondContact O-CD2 3.41Å; A668-F672 PolarHBondContact O-N 2.91Å |
| 669 | Q | 52.9 | Low | 46 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 55% | 0.547 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -53.2 | -49.8 | 171.7 | -75.1 | 170.7 | -22.2 | 0 | 0 | 110.9 | A665 K671 F672 S673 | A665-Q669 WeakPolarHBondContact O-CB 3.3Å; A665-Q669 VanDerWaalsContact O-CG 3.29Å; A665-Q669 WeakPolarHBondContact O-CG 3.32Å; A665-Q669 PolarHBondContact O-N 3.47Å; Q669-K671 PolarHBondContact O-N 3.03Å; Q669-F672 PolarHBondContact O-N 3.34Å; Q669-F672 VanDerWaalsContact O-N 3.08Å; Q669-S673 WeakPolarHBondContact O-CB 3.47Å; Q669-S673 PolarHBondContact O-N 3.42Å; Q669-S673 PolarHBondContact O-OG 2.96Å; Q669-S673 VanDerWaalsContact O-OG 3.13Å |
| 670 | R | 51.2 | Low | 45.7 | Very low | 171 Ų | 171 | 114.6 Ų | 114.6 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -24 | 175.1 | -78.6 | 175.4 | 172.4 | -177.1 | -3.9 | 114.9 | H666 A667 A668 | H666-R670 VanDerWaalsContact CE1-CZ 3.45Å; H666-R670 PolarHBondContact CE1-NE 2.87Å; H666-R670 PolarHBondContact CE1-NH2 2.66Å; H666-R670 VanDerWaalsContact O-CB 3.31Å; H666-R670 WeakPolarHBondContact O-CB 3.36Å; H666-R670 VanDerWaalsContact O-CG 3.26Å; H666-R670 WeakPolarHBondContact O-CG 3.39Å; H666-R670 PolarHBondContact O-N 3.46Å; A667-R670 PolarHBondContact O-N 3.41Å; A668-R670 PolarHBondContact O-N 3.24Å |
| 671 | K | 48.1 | Very low | 44.8 | Very low | 176 Ų | 176 | 118.6 Ų | 118.6 | 77% | 0.765 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.4 | -29.9 | 171.7 | -87.3 | -167.7 | 171 | -172.9 | 0 | 113.6 | A667 A668 Q669 | A667-K671 PolarHBondContact O-N 2.91Å; A668-K671 CarbonylContact O-C 3.44Å; A668-K671 WeakPolarHBondContact O-CA 3.48Å; A668-K671 WeakPolarHBondContact O-CB 3.26Å; A668-K671 PolarHBondContact O-N 3.4Å; Q669-K671 PolarHBondContact O-N 3.03Å |
| 672 | F | 42.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 116.2 Ų | 116.2 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -88.8 | -29.4 | 176.4 | -70.9 | -68.1 | 0 | 0 | 0 | 113.3 | A668 Q669 M674 S675 | A668-F672 WeakPolarHBondContact O-CD2 3.41Å; A668-F672 PolarHBondContact O-N 2.91Å; Q669-F672 PolarHBondContact O-N 3.34Å; Q669-F672 VanDerWaalsContact O-N 3.08Å; F672-M674 VanDerWaalsContact C-N 3.31Å; F672-M674 PolarHBondContact O-N 2.71Å; F672-S675 PolarHBondContact O-N 2.99Å; F672-S675 PolarHBondContact O-OG 2.79Å |
| 673 | S | 38.1 | Very low | 41.9 | Very low | 57 Ų | 57 | 119.3 Ų | 119.3 | 40% | 0.399 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -75.8 | -12.3 | 175.8 | -61 | 0 | 0 | 0 | 0 | 114.3 | Q669 S675 Q676 | Q669-S673 WeakPolarHBondContact O-CB 3.47Å; Q669-S673 PolarHBondContact O-N 3.42Å; Q669-S673 PolarHBondContact O-OG 2.96Å; Q669-S673 VanDerWaalsContact O-OG 3.13Å; S673-S675 PolarHBondContact O-N 3.39Å; S673-Q676 VanDerWaalsContact CA-OE1 3.31Å; S673-Q676 VanDerWaalsContact CB-OE1 3.3Å; S673-Q676 PolarHBondContact O-N 2.7Å; S673-Q676 PolarHBondContact OG-OE1 3.04Å |
| 674 | M | 37.8 | Very low | 40.6 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 87% | 0.872 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -71.9 | -5.2 | 167.3 | -83.2 | -66.8 | -159.7 | 0 | 0 | 113.4 | F672 | F672-M674 VanDerWaalsContact C-N 3.31Å; F672-M674 PolarHBondContact O-N 2.71Å |
| 675 | S | 32.8 | Very low | 39.3 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -118.7 | 15.6 | 170.3 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | F672 S673 | F672-S675 PolarHBondContact O-N 2.99Å; F672-S675 PolarHBondContact O-OG 2.79Å; S673-S675 PolarHBondContact O-N 3.39Å |
| 676 | Q | 32.1 | Very low | 37.9 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | trans | -99.1 | 101.8 | 173 | -73.3 | 177.6 | -45.9 | 0 | 0 | 110.1 | S673 | S673-Q676 VanDerWaalsContact CA-OE1 3.31Å; S673-Q676 VanDerWaalsContact CB-OE1 3.3Å; S673-Q676 PolarHBondContact O-N 2.7Å; S673-Q676 PolarHBondContact OG-OE1 3.04Å | ||
| 677 | L | 30.2 | Very low | 36.5 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | trans | -61.8 | 149.8 | 154.1 | -69.9 | 171.9 | 0 | 0 | 0 | 108.6 | I679 | L677-I679 PolarHBondContact O-N 3.06Š| ||
| 678 | P | 28.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 66% | 0.66 | S | S | * | * | trans | -69.6 | 105.2 | -166.5 | 26.9 | -35.1 | 0 | 0 | 0 | 112.3 | V680 | P678-V680 VanDerWaalsContact C-N 3.35Å; P678-V680 PolarHBondContact O-N 3.48Å | ||
| 679 | I | 28.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -74.4 | 92.5 | 163.7 | -57.8 | 176.6 | 0 | 0 | 0 | 107.2 | L677 | L677-I679 PolarHBondContact O-N 3.06Š| ||
| 680 | V | 30.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 134 Ų | 134 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | trans | -82 | 117 | 166.2 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | P678 S682 | P678-V680 VanDerWaalsContact C-N 3.35Å; P678-V680 PolarHBondContact O-N 3.48Å; V680-S682 VanDerWaalsContact C-N 3.29Å; V680-S682 PolarHBondContact O-N 3.22Å | ||
| 681 | H | 27.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 75% | 0.75 | 67% | 0.674 | S | S | * | * | trans | -73.9 | 87.3 | 165.3 | -84.6 | -50.9 | 0 | 0 | 0 | 109.9 | ||||
| 682 | S | 26.5 | Very low | 31.8 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | trans | -113.1 | 111 | 146.1 | 53.8 | 0 | 0 | 0 | 0 | 107.1 | V680 | V680-S682 VanDerWaalsContact C-N 3.29Å; V680-S682 PolarHBondContact O-N 3.22Å | ||
| 683 | Y | 26.3 | Very low | 31.2 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | trans | -65.2 | 155.4 | 155 | -79.3 | -96.7 | 0 | 0 | 0 | 108 | ||||
| 684 | E | 27.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 75.6 | 138.6 | -172.3 | -50.5 | 174.3 | -177.9 | 0 | 0 | 115.3 | ||
| 685 | N | 28.4 | Very low | 30.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | 74.9 | 48.1 | 160 | -154.2 | -2 | 0 | 0 | 0 | 120 | ||||
| 686 | I | 30.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | trans | -119.7 | -5.3 | 167.3 | -67.7 | -176.9 | 0 | 0 | 0 | 114.5 | S688 | I686-S688 PolarHBondContact O-N 3.08Š| ||
| 687 | D | 32.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 34.5 | 167.8 | -55.3 | -56.3 | 0 | 0 | 0 | 113.3 | ||
| 688 | S | 34 | Very low | 30.1 | Very low | 58 Ų | 58 | 141.4 Ų | 141.4 | 41% | 0.406 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.6 | 0 | -167 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | I686 | I686-S688 PolarHBondContact O-N 3.08Š|
| 689 | T | 35.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 141 Ų | 141 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | -20.4 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 690 | L | 34.8 | Very low | 30.1 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -79.6 | -36.8 | 165.6 | -153.3 | 66.2 | 0 | 0 | 0 | 110.6 | R692 | L690-R692 PolarHBondContact O-N 3.2Š|
| 691 | D | 31 | Very low | 30.1 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 37% | 0.374 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | 51.4 | 166.5 | -71.1 | -44.6 | 0 | 0 | 0 | 112.7 | R694 Y695 | D691-R694 CarbonylContact C-O 3.59Å; D691-R694 VanDerWaalsContact C-O 3.26Å; D691-Y695 WeakPolarHBondContact OD1-CD2 3.45Å |
| 692 | R | 32.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 0.6 | 164.8 | -153.1 | 165.2 | -177.1 | 170.5 | 2.5 | 114.3 | L690 | L690-R692 PolarHBondContact O-N 3.2Š|
| 693 | F | 30.8 | Very low | 30.4 | Very low | 216 Ų | 216 | 148 Ų | 148 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -124 | 7.9 | 157.7 | -84.4 | -80.4 | 0 | 0 | 0 | 112.9 | ||
| 694 | R | 30 | Very low | 30.6 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -129.9 | 163.9 | 158.7 | -66.9 | -175.8 | 177.4 | -176 | -1.9 | 107.3 | D691 | D691-R694 CarbonylContact C-O 3.59Å; D691-R694 VanDerWaalsContact C-O 3.26Å |
| 695 | Y | 28.3 | Very low | 30.7 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | 54.7 | 82 | -172.7 | -72.3 | -80.2 | 0 | 0 | 0 | 117 | D691 K697 | D691-Y695 WeakPolarHBondContact OD1-CD2 3.45Å; Y695-K697 HydrophobicContact CD1-CB 4.48Å | ||
| 696 | A | 27 | Very low | 30.6 | Very low | 114 Ų | 114 | 147 Ų | 147 | 94% | 0.942 | 73% | 0.726 | S | S | * | * | trans | -114.2 | 44.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 697 | K | 32.4 | Very low | 30.4 | Very low | 148 Ų | 148 | 148 Ų | 148 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | -115.4 | 104.1 | 172.5 | -171.3 | -172.3 | 178.3 | -156.3 | 0 | 107.6 | Y695 | Y695-K697 HydrophobicContact CD1-CB 4.48Š| ||
| 698 | I | 31 | Very low | 30.2 | Very low | 163 Ų | 163 | 148 Ų | 148 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -78.4 | 124.5 | 170.5 | -64.5 | 173.4 | 0 | 0 | 0 | 106.8 | ||||
| 699 | D | 29.3 | Very low | 30 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 57% | 0.572 | 74% | 0.736 | S | S | * | * | trans | -74.2 | 128 | 170.1 | -78.7 | -47.4 | 0 | 0 | 0 | 110.4 | ||||
| 700 | M | 27.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -126 | 74.1 | 153.4 | -106.2 | -165 | 68.1 | 0 | 0 | 108.8 | N702 | M700-N702 PolarHBondContact O-N 3.09Š| ||
| 701 | T | 30.4 | Very low | 29.4 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | -62.8 | 98.7 | 161.2 | 20 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 702 | N | 30.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 153 Ų | 153 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -144.9 | 87.6 | 155.1 | -106.9 | -38.4 | 0 | 0 | 0 | 110.2 | M700 Q704 | M700-N702 PolarHBondContact O-N 3.09Å; N702-Q704 PolarHBondContact O-N 3.38Å | ||
| 703 | H | 29.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -92.9 | 84.9 | 171.2 | -125.4 | 47.5 | 0 | 0 | 0 | 109 | ||||
| 704 | Q | 30.2 | Very low | 29 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -138.1 | 90.3 | 161.7 | -143.7 | 168.5 | 35.8 | 0 | 0 | 107 | N702 | N702-Q704 PolarHBondContact O-N 3.38Š| ||
| 705 | Q | 28.6 | Very low | 29 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | 69.5 | 127.6 | 84.4 | -86.8 | -164.3 | -10.3 | 0 | 0 | 114.3 | |||||
| 706 | F | 26.9 | Very low | 29 | Very low | 169 Ų | 169 | 144 Ų | 144 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 76.5 | 97.3 | 158.1 | -81.8 | -113 | 0 | 0 | 0 | 120.1 | ||||
| 707 | I | 26.3 | Very low | 29 | Very low | 137 Ų | 137 | 145 Ų | 145 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | 83.7 | 138.3 | 115.8 | -81.7 | -174 | 0 | 0 | 0 | 120.9 | |||||
| 708 | H | 29.1 | Very low | 28.7 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 81.3 | 108.4 | 158.4 | -103.4 | -130.9 | 0 | 0 | 0 | 122.6 | ||||
| 709 | H | 29 | Very low | 28.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | 84.1 | 126.8 | 118.6 | -91.7 | -138.8 | 0 | 0 | 0 | 123.1 | |||||
| 710 | Q | 27.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | trans | 74.3 | 120.3 | 136.7 | -71 | 178.1 | 5.8 | 0 | 0 | 121.4 | ||||
| 711 | S | 29.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 75 | 158.5 | 132.4 | 78.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 712 | S | 28.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -171.2 | 156.7 | -25.8 | -95.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 713 | S | 30.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 66.9 | 129.2 | 167.6 | -55.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 714 | R | 28.5 | Very low | 29 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | cis | 75.5 | 137.1 | 48.3 | -71.9 | -165.8 | 174.1 | -168.7 | -0.9 | 115.8 | ||||
| 715 | N | 28.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 81.3 | 104.8 | 155.4 | -57.6 | -14.4 | 0 | 0 | 0 | 120.6 | ||||
| 716 | S | 29.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | -175.5 | 128.3 | 114.7 | 41.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 717 | I | 27.7 | Very low | 29.6 | Very low | 134 Ų | 134 | 139 Ų | 139 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | cis | 75.8 | 97.7 | 29.1 | -49.3 | 174.3 | 0 | 0 | 0 | 114.3 | ||||
| 718 | S | 26.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | 170.3 | 144.7 | 142.5 | -77.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 719 | T | 27.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | cis | 163.3 | 116.6 | -32.2 | 32.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 720 | N | 28.7 | Very low | 29.9 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | 59.1 | 180 | 148.9 | -108.4 | -28.3 | 0 | 0 | 0 | 119.1 | ||||
| 721 | P | 34.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | cis | -133.9 | 166.1 | -24.7 | 37.9 | -22 | 0 | 0 | 0 | 116 | ||||
| 722 | Q | 30 | Very low | 30.7 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 60.3 | 155.3 | 143.3 | -83.8 | -175.9 | 12 | 0 | 0 | 121.2 | ||||
| 723 | Q | 29.2 | Very low | 30.6 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | cis | -160.2 | -156.1 | -13.4 | -148.5 | 179.2 | 0.6 | 0 | 0 | 109.6 | ||||
| 724 | Y | 33.7 | Very low | 30.5 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 83 | 141.4 | 172.6 | -51.7 | -64.1 | 0 | 0 | 0 | 117.3 | ||||
| 725 | H | 35.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | cis | -159.6 | 143.1 | -3.9 | -118.3 | -45.2 | 0 | 0 | 0 | 112 | ||||
| 726 | Y | 31.1 | Very low | 30.2 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 53.9 | 149.4 | 150.2 | -63.7 | -39.5 | 0 | 0 | 0 | 122.2 | ||||
| 727 | T | 31.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | cis | -155.8 | 153.2 | -14.9 | 26 | 0 | 0 | 0 | 0 | 108 | ||||
| 728 | T | 28.2 | Very low | 30 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | 178.3 | 167.7 | 82.9 | 35.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 729 | N | 30.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 75.6 | 62.8 | 156.3 | -61.1 | -8.6 | 0 | 0 | 0 | 121.4 | ||||
| 730 | A | 30.4 | Very low | 30.5 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | 40.5 | 117.3 | 115.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 731 | S | 28.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | 78.1 | 156.4 | 127.3 | -78.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 732 | P | 46.3 | Very low | 30.1 | Very low | 99 Ų | 99 | 133 Ų | 133 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -134.7 | -164.1 | -133.8 | 45.4 | -29.1 | 0 | 0 | 0 | 115.7 | ||||
| 733 | N | 26.1 | Very low | 30 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 76.5 | 148.1 | 179.6 | -48.2 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 734 | T | 28.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | cis | -141.6 | 141.5 | 24.2 | 41.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 735 | T | 26.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 29.3 | 137 | 139.8 | 65 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 736 | N | 24.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 98.7 | 110.1 | 131.8 | -75.3 | -2.4 | 0 | 0 | 0 | 122.6 | ||||
| 737 | I | 26 | Very low | 28.4 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | 79.7 | 137.2 | 121.4 | -63.9 | 168.5 | 0 | 0 | 0 | 118.8 | |||||
| 738 | S | 27 | Very low | 27.9 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | 66.2 | 133.4 | 166.9 | 57.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 739 | N | 34.6 | Very low | 27.8 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | cis | -136.6 | 153.6 | 5.8 | -94.9 | -28.3 | 0 | 0 | 0 | 113.6 | ||||
| 740 | T | 29.4 | Very low | 27.5 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -19.5 | 130.3 | 161.6 | 52 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 741 | N | 27.3 | Very low | 27.3 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | cis | 66.4 | 145.7 | 43.8 | -63.6 | -11.7 | 0 | 0 | 0 | 116.4 | ||||
| 742 | N | 27.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | trans | 72.1 | 97.3 | 162.9 | -72.2 | 3.1 | 0 | 0 | 0 | 120 | N744 | N742-N744 HydrophobicContact CB-CB 3.99Å; N742-N744 PolarHBondContact ND2-ND2 3.18Å | ||
| 743 | C | 26.2 | Very low | 26.3 | Very low | 131 Ų | 131 | 131 Ų | 131 | 89% | 0.885 | 73% | 0.725 | S | S | * | * | -112.3 | 129.6 | 89.8 | -67.9 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 744 | N | 27.1 | Very low | 26.6 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 44% | 0.439 | 72% | 0.718 | S | S | . | * | cis | 56.3 | 133.5 | 17.1 | -102.8 | 24.2 | 0 | 0 | 0 | 114.7 | N742 S746 | N742-N744 HydrophobicContact CB-CB 3.99Å; N742-N744 PolarHBondContact ND2-ND2 3.18Å; N744-S746 PolarHBondContact ND2-OG 3.17Å; N744-S746 PolarHBondContact OD1-N 3.09Å | ||
| 745 | W | 23.3 | Very low | 26.5 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | cis | -105 | 122 | 37.3 | -73.6 | 62 | 0 | 0 | 0 | 116.9 | ||||
| 746 | S | 23.1 | Very low | 26.9 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 52% | 0.517 | 72% | 0.719 | S | S | . | * | trans | 35 | 109.6 | 131.9 | -55.3 | 0 | 0 | 0 | 0 | 120.4 | N744 | N744-S746 PolarHBondContact ND2-OG 3.17Å; N744-S746 PolarHBondContact OD1-N 3.09Å | ||
| 747 | V | 23.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -59.6 | 143.5 | 143.9 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 748 | S | 21.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | 65.6 | 158.8 | 155.3 | -66.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 749 | D | 25.6 | Very low | 27.5 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | 92.5 | 99.7 | 146.9 | -77.6 | -56.2 | 0 | 0 | 0 | 122.2 | ||||
| 750 | S | 25.2 | Very low | 27.4 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | 61.4 | 125.1 | 104.9 | -56.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 751 | I | 26.2 | Very low | 27.3 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 83.4 | 112 | 143.5 | -65.1 | 164.6 | 0 | 0 | 0 | 118.5 | ||||
| 752 | N | 25.9 | Very low | 27.4 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 56.8 | 121.4 | 145.5 | -68.7 | -16.5 | 0 | 0 | 0 | 122 | ||||
| 753 | K | 27.8 | Very low | 27.4 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | 66.4 | 131.2 | 132.3 | -120.9 | -177.8 | 177.8 | -175.7 | 0 | 116.8 | ||||
| 754 | L | 31 | Very low | 27.4 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | cis | -157.9 | 154.4 | 49.8 | -81.4 | 153.9 | 0 | 0 | 0 | 111.1 | ||||
| 755 | D | 27.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | 45.7 | 134 | 143.2 | -43.3 | -17.7 | 0 | 0 | 0 | 119.5 | ||||
| 756 | L | 34.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | cis | -145.6 | 151 | 27 | -71.1 | 162.2 | 0 | 0 | 0 | 112.1 | ||||
| 757 | N | 30.4 | Very low | 28 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 47.7 | 134.5 | 143 | -58.4 | 21.5 | 0 | 0 | 0 | 121.4 | ||||
| 758 | D | 29.8 | Very low | 28.3 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -161.5 | 148.8 | -17.1 | -142.6 | -32.8 | 0 | 0 | 0 | 111.9 | ||||
| 759 | S | 29.9 | Very low | 28.7 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 31.2 | 131.3 | 150.6 | -65.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 760 | A | 32.7 | Very low | 29 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | 85.8 | 147.2 | 127.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 761 | V | 28.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | cis | -161.3 | 165 | -11 | 121.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 762 | S | 29.5 | Very low | 29.3 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | trans | 72.3 | 132.2 | 168 | -79.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 763 | Q | 27.5 | Very low | 29.4 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | 74.8 | 138.7 | 58.6 | -72.9 | 172.6 | -19.8 | 0 | 0 | 113.1 | |||||
| 764 | S | 24.9 | Very low | 29.4 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | cis | 174 | 167.9 | -21 | 42 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 765 | Y | 28.5 | Very low | 29.6 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | 78.3 | 111.2 | 162.2 | -68 | -77.1 | 0 | 0 | 0 | 120.1 | ||||
| 766 | H | 29.5 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | 73 | 127.5 | 120.3 | -80.6 | -125 | 0 | 0 | 0 | 123.8 | |||||
| 767 | D | 27.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | 77.7 | 120.2 | 120.6 | -61.3 | 6.9 | 0 | 0 | 0 | 125.1 | |||||
| 768 | E | 29.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | 72 | 135.1 | 121.9 | -63.8 | -100 | 86.3 | 0 | 0 | 122.8 | |||||
| 769 | E | 30.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | trans | 60.4 | 153.3 | 152.6 | -70.9 | -150.6 | 119.3 | 0 | 0 | 119.5 | ||||
| 770 | T | 33 | Very low | 29.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | cis | -147.2 | 123.9 | 6.9 | 3.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 771 | K | 30.3 | Very low | 29.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | 56.1 | 105.6 | 110.8 | -157.6 | -179.4 | -164.5 | 163.5 | 0 | 121.8 | |||||
| 772 | Y | 26.8 | Very low | 29.1 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | 73.5 | 109.1 | 137.7 | -79.8 | -116.6 | 0 | 0 | 0 | 122.4 | ||||
| 773 | A | 28.9 | Very low | 29 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | 104.7 | 155.7 | 106.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 774 | N | 27.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 86.2 | 150.5 | 164 | -83.2 | -19.1 | 0 | 0 | 0 | 119.4 | ||||
| 775 | P | 34.4 | Very low | 29.1 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -137.7 | -170.5 | -133 | 42.4 | -23.7 | 0 | 0 | 0 | 115.5 | ||||
| 776 | S | 25.5 | Very low | 29 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 95.8 | 106 | 164.2 | -37.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 777 | T | 30.8 | Very low | 29 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | -172.7 | 120.4 | 129.1 | 18.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 778 | V | 28.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 75.7 | 138.7 | 88.2 | 174.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 779 | L | 30.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 84.8 | 147.4 | -176.8 | -50.1 | -176.9 | 0 | 0 | 0 | 116.3 | ||||
| 780 | K | 30.6 | Very low | 28.7 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | cis | -158.7 | 172.2 | -35.5 | -155.7 | 149.6 | 177 | 177.5 | 0 | 110.9 | ||||
| 781 | S | 27.7 | Very low | 28.4 | Very low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | trans | -72.3 | 144.2 | -171.8 | 54.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 782 | Q | 29 | Very low | 28.5 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -144.8 | 139.8 | 132.1 | -66.1 | -167.5 | 0.4 | 0 | 0 | 106.8 | ||||
| 783 | V | 26.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | cis | 75 | 96.3 | 10.1 | -167.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 784 | D | 25.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 53.6 | 96.4 | 149.6 | -55.6 | -24.5 | 0 | 0 | 0 | 121.2 | ||||
| 785 | K | 30.1 | Very low | 28.6 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -159.1 | 140.4 | 136.9 | -98 | 139.9 | -175.1 | -177.4 | 0 | 107.7 | ||||
| 786 | L | 25.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | 54.1 | 125.5 | 74.6 | -78.4 | 154.8 | 0 | 0 | 0 | 111.9 | |||||
| 787 | A | 28.8 | Very low | 28.6 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | cis | -161.6 | 166.5 | 7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 788 | N | 26 | Very low | 28.5 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | 69 | 153 | 142.8 | -66.9 | -13.7 | 0 | 0 | 0 | 122.5 | ||||
| 789 | S | 29.1 | Very low | 28.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | 78.6 | 131 | 157.3 | 93.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 790 | T | 27.7 | Very low | 28.6 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | cis | -152.7 | 124.7 | -2.8 | -52 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 791 | S | 27 | Very low | 28.5 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | 64 | 160.4 | 155.9 | 78.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 792 | L | 31 | Very low | 28.5 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | cis | -134 | 135.1 | 7.7 | -83.8 | 170.4 | 0 | 0 | 0 | 111.9 | ||||
| 793 | S | 27.3 | Very low | 28.4 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | 20.4 | 137.9 | 129 | 76.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 794 | N | 31.3 | Very low | 28.6 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | cis | -147.9 | 148.9 | 15.6 | -71.5 | -68.4 | 0 | 0 | 0 | 108.5 | ||||
| 795 | S | 28 | Very low | 28.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | 76 | 153.3 | 53.5 | -157.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 796 | C | 29.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 75.3 | 85.4 | -164.1 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 797 | H | 30.8 | Very low | 28.7 | Very low | 161 Ų | 161 | 120.9 Ų | 120.9 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | cis | 75 | 130.7 | 34 | -123.6 | -54.2 | 0 | 0 | 0 | 115.2 | ||||
| 798 | N | 27.9 | Very low | 28.7 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | 74.6 | 152.3 | 158.3 | -68.9 | -11.5 | 0 | 0 | 0 | 120.3 | ||||
| 799 | S | 28.9 | Very low | 29.1 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | cis | 179.3 | 170.1 | -22.3 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 800 | K | 32.3 | Very low | 29 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | 82.1 | 125.8 | 160.7 | -64.3 | 150.8 | -166.4 | 167.6 | 0 | 114.7 | ||||
| 801 | N | 27.8 | Very low | 29.2 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | 69.8 | 142.4 | 75.6 | -50.5 | 1.2 | 0 | 0 | 0 | 111.6 | |||||
| 802 | C | 28.5 | Very low | 29.3 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | cis | -113.1 | 166.3 | 6.1 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 803 | L | 26.9 | Very low | 29.3 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | cis | 69.3 | 150.6 | 42.8 | -107.8 | 174.9 | 0 | 0 | 0 | 114.8 | ||||
| 804 | D | 29.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | 84.9 | 106.7 | 179.8 | -54.7 | -22.4 | 0 | 0 | 0 | 115.5 | ||||
| 805 | S | 27.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | 84.1 | 145.6 | 77.3 | 84.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 806 | V | 30.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | cis | -145.6 | 126.3 | 26.4 | 173.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 807 | S | 26.6 | Very low | 29.8 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | 74.8 | 132.6 | 67.4 | -54.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 808 | I | 28.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 68.6 | 127.9 | 158.3 | -57 | 153.4 | 0 | 0 | 0 | 114.5 | ||||
| 809 | S | 33.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | cis | -144.6 | 141.6 | 45.6 | -41.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 810 | D | 27.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | 74.4 | 102.1 | 55.7 | -72.9 | -48.5 | 0 | 0 | 0 | 116 | |||||
| 811 | A | 32 | Very low | 29.6 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | 173.3 | 101.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 812 | T | 28.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | 50.6 | 130.8 | 88 | 67.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 813 | S | 31.1 | Very low | 30 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -155.9 | 139.3 | 18 | 65.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 814 | T | 28.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | 24.2 | 133.9 | 132.6 | 66 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 815 | N | 32.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 144.4 | 111 | 120.8 | -75.9 | -38.6 | 0 | 0 | 0 | 115.9 | |||||
| 816 | N | 29.7 | Very low | 30.7 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 60 | 146.2 | 141.9 | -73.5 | -7.9 | 0 | 0 | 0 | 123.6 | ||||
| 817 | P | 35.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -90.1 | 148.4 | 170.2 | 36.9 | -33.4 | 0 | 0 | 0 | 112.4 | ||||
| 818 | T | 32.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -142.8 | 137.1 | 162.8 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 819 | S | 26.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -65.9 | 141.5 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 820 | V | 30.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -126.8 | 112.4 | 159.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | V822 | V820-V822 HydrophobicContact CG1-CG2 4.12Š| ||
| 821 | V | 27.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -85.9 | 124.8 | 167.6 | 173.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 822 | V | 34.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -131.9 | 105.9 | 157.5 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | V820 | V820-V822 HydrophobicContact CG1-CG2 4.12Š| ||
| 823 | G | 29.1 | Very low | 30.6 | Very low | 53 Ų | 53 | 141 Ų | 141 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | trans | -98.6 | 171.4 | 162 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 824 | N | 35.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -154.1 | 148.2 | 140.2 | -98.1 | -29.4 | 0 | 0 | 0 | 108.6 | ||||
| 825 | N | 30 | Very low | 30.9 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -86.1 | 163.4 | -176.8 | -49.2 | -66.2 | 0 | 0 | 0 | 110.6 | ||||
| 826 | D | 34.9 | Very low | 30.7 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | -154.2 | 148 | 119.4 | -103.6 | -31.4 | 0 | 0 | 0 | 111.2 | |||||
| 827 | I | 27.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 139 Ų | 139 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -134.1 | 117.4 | -170.5 | -61 | 171.1 | 0 | 0 | 0 | 109.5 | ||||
| 828 | H | 33.5 | Very low | 30.6 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -164.2 | 108.4 | 156.7 | -92.3 | -62.2 | 0 | 0 | 0 | 108 | ||||
| 829 | S | 28.5 | Very low | 30.6 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | 89.7 | 102 | 54.1 | 77.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 830 | Y | 24.7 | Very low | 31 | Very low | 214 Ų | 214 | 145 Ų | 145 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 46.2 | 120.7 | 151.1 | -74 | -89.6 | 0 | 0 | 0 | 121.7 | ||||
| 831 | Q | 30.2 | Very low | 31.2 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 95% | 0.949 | 80% | 0.798 | S | S | * | * | -149.1 | 149.2 | 121.4 | -118.1 | 173.3 | -13.7 | 0 | 0 | 111 | |||||
| 832 | R | 27.6 | Very low | 31.6 | Very low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 120.4 | -168.2 | -168.5 | -171.1 | -159.1 | -139.1 | 8.4 | 111.6 | ||||
| 833 | S | 33.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 151 Ų | 151 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 148 | 170.2 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 834 | G | 32.7 | Very low | 32 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | cis | -158.2 | 163.1 | -7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 835 | T | 32.8 | Very low | 32 | Very low | 138 Ų | 138 | 157.2 Ų | 157.2 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -103.9 | 153.2 | -161.5 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 836 | D | 28.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -103.2 | 122.2 | 154.9 | -178.6 | 18 | 0 | 0 | 0 | 109 | F838 | D836-F838 PolarHBondContact O-N 2.85Š| ||
| 837 | P | 30.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 158.5 Ų | 158.5 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 50.2 | -162.9 | 39.8 | -38.3 | 0 | 0 | 0 | 115.4 | ||
| 838 | F | 31.9 | Very low | 32.4 | Very low | 196 Ų | 196 | 158.9 Ų | 158.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | -6 | 172.8 | -89.8 | -70 | 0 | 0 | 0 | 117.4 | D836 | D836-F838 PolarHBondContact O-N 2.85Š|
| 839 | S | 31.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -89.6 | 111.8 | 169.7 | -68.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 840 | M | 34.6 | Very low | 32.5 | Very low | 178 Ų | 178 | 160.5 Ų | 160.5 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | trans | -125.6 | 97.5 | 170.3 | -167.2 | 180 | -58.9 | 0 | 0 | 108.8 | ||||
| 841 | E | 34.9 | Very low | 32.9 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 81% | 0.808 | 84% | 0.843 | S | S | * | * | trans | -71.8 | 124.8 | 174.5 | -71.3 | 170.4 | 113.7 | 0 | 0 | 109.4 | D843 | E841-D843 PolarHBondContact O-N 3.09Š| ||
| 842 | M | 35.8 | Very low | 33 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 93% | 0.931 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -81.6 | 66 | 169.8 | -79.5 | -154.4 | -60.2 | 0 | 0 | 110.4 | ||
| 843 | D | 35.8 | Very low | 33.2 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -140.6 | 17 | 179.4 | -94.9 | -51.2 | 0 | 0 | 0 | 113.7 | E841 | E841-D843 PolarHBondContact O-N 3.09Š|
| 844 | E | 36.1 | Very low | 33 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -147.9 | 53.9 | 174.7 | -151 | 169.7 | -147.1 | 0 | 0 | 114.4 | ||||
| 845 | L | 35.3 | Very low | 33 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -130.7 | 48.1 | 175.6 | -157.8 | 79.6 | 0 | 0 | 0 | 114 | ||||
| 846 | D | 35.3 | Very low | 32.8 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -138.3 | 30.2 | 169.6 | -151.4 | 15.5 | 0 | 0 | 0 | 112.6 | ||||
| 847 | Q | 33.8 | Very low | 33 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 98.3 | 172.3 | -70.9 | -174.1 | 45.5 | 0 | 0 | 110.6 | ||||
| 848 | V | 31.9 | Very low | 33.1 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 157.5 | 71.9 | 145.8 | 165.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 849 | M | 32.5 | Very low | 33.2 | Very low | 173 Ų | 173 | 148 Ų | 148 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -152.1 | 119.1 | 155.4 | -96.7 | -57.3 | -162.4 | 0 | 0 | 108.1 | ||||
| 850 | P | 31.2 | Very low | 33.1 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 113.3 | -176.2 | 33 | -31.7 | 0 | 0 | 0 | 111.6 | ||||
| 851 | V | 34.7 | Very low | 32.9 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -130.9 | 146.2 | 170.6 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 852 | N | 32.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -82.1 | 165.3 | -162.2 | -108.6 | -32.1 | 0 | 0 | 0 | 115.5 | ||||
| 853 | N | 30.9 | Very low | 32.4 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 44% | 0.439 | 77% | 0.774 | S | S | . | * | trans | -44.6 | 145.9 | 170.8 | -71 | -34.1 | 0 | 0 | 0 | 115.5 | T443 A444 | T443-N853 HydrophobicContact CG2-CB 4.35Å; T443-N853 WeakPolarHBondContact CG2-OD1 3.25Å; A444-N853 PolarHBondContact N-ND2 2.92Å; A444-N853 VanDerWaalsContact N-ND2 3.15Å | ||
| 854 | G | 30.1 | Very low | 32.1 | Very low | 46 Ų | 46 | 142.7 Ų | 142.7 | 47% | 0.474 | 75% | 0.752 | S | S | . | * | trans | 99.5 | 125.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 855 | H | 32.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | trans | 170.7 | 93.4 | 131.1 | -93.1 | 91.9 | 0 | 0 | 0 | 109.3 | M857 | H855-M857 PolarHBondContact O-N 3.03Å; H855-M857 VanDerWaalsContact O-N 3.12Å | ||
| 856 | T | 28.9 | Very low | 31.6 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | trans | -70.5 | 98.9 | 162.7 | 44.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 857 | M | 31.8 | Very low | 31.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -95.7 | 123.2 | 178.8 | -93.2 | -64.9 | -158 | 0 | 0 | 112.3 | H855 L859 | H855-M857 PolarHBondContact O-N 3.03Å; H855-M857 VanDerWaalsContact O-N 3.12Å; M857-L859 PolarHBondContact O-N 3.38Å | ||
| 858 | T | 32.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -67.7 | 122.1 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | N860 | T858-N860 HydrophobicContact CG2-CB 4.22Å; T858-N860 PolarHBondContact O-N 3.43Å | ||
| 859 | L | 33.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -77 | 72.6 | 178.2 | -131.3 | 173.8 | 0 | 0 | 0 | 110.9 | M857 | M857-L859 PolarHBondContact O-N 3.38Š|
| 860 | N | 29.9 | Very low | 31.2 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 46% | 0.46 | 72% | 0.723 | S | S | . | * | trans | -158.5 | 59.3 | 177.5 | -120 | -62 | 0 | 0 | 0 | 112.8 | D463 T858 | D463-N860 PolarHBondContact N-OD1 2.85Å; T858-N860 HydrophobicContact CG2-CB 4.22Å; T858-N860 PolarHBondContact O-N 3.43Å | ||
| 861 | R | 30.6 | Very low | 31.2 | Very low | 226 Ų | 226 | 137.5 Ų | 137.5 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | 173.1 | 90.1 | 159.2 | -103.3 | 173.4 | 176.8 | -178.9 | 1.1 | 111.5 | ||||
| 862 | M | 30.1 | Very low | 30.9 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 91% | 0.906 | 72% | 0.717 | S | S | * | * | trans | -158 | 31.9 | 154.2 | -137.9 | 169.6 | -73 | 0 | 0 | 116.5 | ||||
| 863 | F | 30.3 | Very low | 30.8 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -125.8 | 164.8 | 162.8 | -78.7 | -88.4 | 0 | 0 | 0 | 109.5 | H462 D463 | H462-F863 HydrophobicContact CB-CB 4.39Å; H462-F863 VanDerWaalsContact CD2-CB 3.47Å; H462-F863 WeakPolarHBondContact CD2-CB 3.32Å; H462-F863 PolarHBondContact CD2-O 3.2Å; H462-F863 VanDerWaalsContact CD2-O 3.22Å; H462-F863 WeakPolarHBondContact CE1-CB 3.31Å; H462-F863 VanDerWaalsContact CG-CB 3.45Å; H462-F863 WeakPolarHBondContact ND1-CB 3.43Å; H462-F863 WeakPolarHBondContact NE2-CB 3.48Å; D463-F863 WeakPolarHBondContact OD2-CD2 3.41Å |
| 864 | S | 30.1 | Very low | 30.8 | Very low | 52 Ų | 52 | 136.3 Ų | 136.3 | 36% | 0.364 | 73% | 0.734 | S | S | . | * | trans | 54.5 | 93 | -171.5 | -66.7 | 0 | 0 | 0 | 0 | 117.2 | H462 | H462-S864 VanDerWaalsContact CD2-CB 3.43Å; H462-S864 WeakPolarHBondContact CD2-CB 3.42Å; H462-S864 PolarHBondContact CD2-OG 3.15Å; H462-S864 PolarHBondContact NE2-OG 3.41Å | ||
| 865 | K | 30.6 | Very low | 30.8 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | -177.1 | 89.5 | 123.1 | -100.9 | 166.3 | -174.2 | 173.5 | 0 | 112.9 | F460 | F460-K865 HydrophobicContact CD1-CG 4.31Å; F460-K865 HydrophobicContact CD2-CD 4.44Å; F460-K865 HydrophobicContact CD2-CG 4.5Å; F460-K865 HydrophobicContact CG-CD 4.44Å; F460-K865 VanDerWaalsContact CG-CE 3.41Å; F460-K865 HydrophobicContact CG-CG 4.28Å | |||
| 866 | C | 29.2 | Very low | 30.9 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 95% | 0.946 | 75% | 0.745 | S | S | * | * | trans | -168.1 | 114.9 | 134 | -100.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 867 | L | 31.4 | Very low | 31.1 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -145.6 | 134.8 | 176.4 | -127.5 | 177.5 | 0 | 0 | 0 | 106.9 | ||||
| 868 | H | 33.7 | Very low | 31.1 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | 67.8 | 119 | -173.5 | -50 | 92.3 | 0 | 0 | 0 | 114 | ||||
| 869 | N | 31.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | -147.1 | 145.5 | 55.5 | -85.7 | -33.6 | 0 | 0 | 0 | 111.2 | |||||
| 870 | Q | 30 | Very low | 30.9 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | 48.2 | 130 | 86.8 | -49.9 | -170.7 | 12.8 | 0 | 0 | 113.2 | |||||
| 871 | L | 30.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | cis | -146.4 | 154.3 | 39.4 | -92.7 | 90.2 | 0 | 0 | 0 | 114.9 | ||||
| 872 | T | 28.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | 48.1 | 122 | 146.1 | 58.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 873 | G | 31.2 | Very low | 30.8 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -160.8 | 12.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 874 | T | 30.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | trans | 53.1 | 109.5 | 171.1 | 44.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 875 | L | 29.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | -44.3 | 159.3 | 156.2 | -116.5 | 73.5 | 0 | 0 | 0 | 114.8 | ||||
| 876 | P | 34.2 | Very low | 30.8 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -133.7 | 167.1 | 72.2 | 15.6 | 7.3 | 0 | 0 | 0 | 114.8 | |||||
| 877 | S | 32.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -175.1 | 127.5 | -25.5 | 49.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 878 | H | 31.7 | Very low | 30.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 58% | 0.579 | 74% | 0.742 | S | S | * | * | 52 | 147.8 | 88.1 | -97.6 | -2.9 | 0 | 0 | 0 | 115.7 | R880 | H878-R880 PolarHBondContact NE2-NE 3Š| |||
| 879 | P | 34.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | cis | -120 | 154.8 | 17.7 | 11.5 | 14.8 | 0 | 0 | 0 | 115 | ||||
| 880 | R | 28.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | 65.2 | 121.5 | 74.7 | -54.7 | 179 | -174.2 | 179.8 | -0.3 | 117.4 | H878 | H878-R880 PolarHBondContact NE2-NE 3Š| |||
| 881 | Y | 30.6 | Very low | 30.3 | Very low | 225 Ų | 225 | 132.8 Ų | 132.8 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | -154.7 | 131 | 113.9 | -96.8 | -82 | 0 | 0 | 0 | 105.6 | |||||
| 882 | L | 30.6 | Very low | 30.1 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | 65.8 | 135.8 | 41.2 | -62.2 | 171.8 | 0 | 0 | 0 | 114.1 | ||||
| 883 | S | 27.7 | Very low | 30.2 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | cis | -175.7 | 144.3 | -20.7 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 884 | T | 31.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | trans | -150.6 | 144.1 | 148 | 17.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 885 | R | 27.7 | Very low | 29.9 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -146.6 | 131.6 | -176.3 | 176.4 | -169 | -176.4 | -167.7 | 4.6 | 108.5 | H887 | R885-H887 PolarHBondContact NE-NE2 3.44Å; R885-H887 PolarHBondContact NH2-NE2 2.9Å; R885-H887 VanDerWaalsContact NH2-NE2 3.1Å | ||
| 886 | T | 32.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | trans | -120.5 | 154.9 | 171.6 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 887 | H | 26.6 | Very low | 29.4 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | trans | -125.5 | 132.1 | -164.9 | -105.5 | -111.9 | 0 | 0 | 0 | 112 | R885 | R885-H887 PolarHBondContact NE-NE2 3.44Å; R885-H887 PolarHBondContact NH2-NE2 2.9Å; R885-H887 VanDerWaalsContact NH2-NE2 3.1Å | ||
| 888 | V | 30.4 | Very low | 29.4 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -149.4 | 132.6 | 154.9 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 889 | S | 28.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | 97.7 | 89.9 | 4.4 | 90.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 890 | S | 27.5 | Very low | 29 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 69.1 | 159.8 | 170.8 | -117.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 891 | V | 32.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | cis | -131 | 157.7 | 24.8 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 892 | N | 26 | Very low | 29.3 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -131.5 | 114.9 | 179.3 | -145.7 | -1.5 | 0 | 0 | 0 | 110 | ||||
| 893 | S | 30.7 | Very low | 29.3 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | trans | -168.8 | 124.3 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 894 | C | 25.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 38.1 | 146.8 | 133.3 | -56.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 895 | L | 28.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 122 Ų | 122 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | cis | -138.4 | 159.9 | 5.3 | -77.5 | 100.3 | 0 | 0 | 0 | 108.4 | ||||
| 896 | C | 25.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | cis | 85.5 | 92.5 | 34 | -62.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 897 | V | 30 | Very low | 29.3 | Very low | 136 Ų | 136 | 117.7 Ų | 117.7 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | -150.5 | 84.4 | 146.6 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 898 | T | 30.8 | Very low | 29.4 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | 57.9 | 123.7 | 90 | 62.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 899 | N | 25.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 120 Ų | 120 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -106.3 | 177.4 | 160 | -104.5 | -24.3 | 0 | 0 | 0 | 108.1 | ||||
| 900 | A | 33.3 | Very low | 29.4 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | 83.4 | 133.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 901 | T | 31.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -85.9 | 163.3 | -176.5 | 27.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 902 | E | 32.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 125 Ų | 125 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | trans | 76.6 | 89.6 | 148.7 | -76.1 | 165.5 | -111.2 | 0 | 0 | 120.7 | ||||
| 903 | L | 32 | Very low | 29.3 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 48% | 0.476 | 72% | 0.723 | S | S | . | * | 75.2 | 159.7 | 128.8 | -60.2 | 159 | 0 | 0 | 0 | 118.1 | N574 Q575 H576 | N574-L903 HydrophobicContact CB-CD1 4.38Å; N574-L903 HydrophobicContact CB-CD2 4.05Å; Q575-L903 VanDerWaalsContact C-CD1 3.46Å; H576-L903 HydrophobicContact CB-CD1 4.19Å; H576-L903 VanDerWaalsContact N-CD1 3.31Å | |||
| 904 | P | 33.9 | Very low | 29 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 49% | 0.494 | 72% | 0.724 | S | S | . | * | cis | -116.5 | -167.6 | -3.9 | 41.5 | -28.4 | 0 | 0 | 0 | 112.8 | S572 A573 N574 | S572-P904 WeakPolarHBondContact O-CG 3.35Å; A573-P904 HydrophobicContact CB-CB 3.59Å; A573-P904 HydrophobicContact CB-CG 4.28Å; N574-P904 HydrophobicContact CB-CB 4.14Å | ||
| 905 | G | 28.2 | Very low | 29.1 | Very low | 60 Ų | 60 | 122.6 Ų | 122.6 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | trans | -156.2 | 171 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 906 | C | 28.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -147.8 | 125.8 | 163.5 | -87.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 907 | N | 26.9 | Very low | 29.2 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 33.2 | 151.5 | 148.2 | -77.5 | 23.3 | 0 | 0 | 0 | 124.8 | ||||
| 908 | E | 30 | Very low | 29.2 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | trans | 78.8 | 136.1 | 148.1 | -80.8 | 147.7 | -137.7 | 0 | 0 | 119.8 | ||||
| 909 | Q | 32 | Very low | 29.2 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | cis | -156.4 | 174.9 | -20.7 | -131.1 | 175.8 | 45.3 | 0 | 0 | 111.2 | ||||
| 910 | N | 25.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | -74.5 | 144.3 | -176.9 | -57 | -57.1 | 0 | 0 | 0 | 113.5 | ||||
| 911 | S | 28.7 | Very low | 29.3 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | 178.8 | 149.7 | 138.5 | -87.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 912 | F | 26.7 | Very low | 29.1 | Very low | 186 Ų | 186 | 130 Ų | 130 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | cis | -162.3 | -169.2 | -26.2 | -141.8 | -97.1 | 0 | 0 | 0 | 107.9 | ||||
| 913 | A | 28.9 | Very low | 28.9 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | 64.5 | 107.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 914 | S | 25.1 | Very low | 28.7 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | cis | 72.8 | 105.5 | 27.8 | -158.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 915 | C | 26.5 | Very low | 28.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | -134 | 103.3 | 153.5 | -82.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 916 | Y | 24.3 | Very low | 28.6 | Very low | 208 Ų | 208 | 138.2 Ų | 138.2 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -88.4 | 130.1 | 173.3 | -108.3 | -98 | 0 | 0 | 0 | 110.2 | ||||
| 917 | H | 31.4 | Very low | 28.4 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 178.1 | 144.5 | 155.5 | -95.8 | -67 | 0 | 0 | 0 | 107.6 | ||||
| 918 | H | 31.9 | Very low | 28.4 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | cis | -164.9 | 156.2 | -18.3 | -145.5 | -130.9 | 0 | 0 | 0 | 107.8 | ||||
| 919 | N | 30 | Very low | 28.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | 27.3 | 141.7 | 145.1 | -70.3 | 14.9 | 0 | 0 | 0 | 122.1 | ||||
| 920 | N | 28.7 | Very low | 28.1 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -174.7 | -173.5 | -5.7 | -167.7 | 13.9 | 0 | 0 | 0 | 108.7 | ||||
| 921 | E | 31.2 | Very low | 28 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | trans | 82.1 | 101.6 | 154.9 | -64.3 | -159.5 | 101.7 | 0 | 0 | 121.2 | ||||
| 922 | S | 28.5 | Very low | 28 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | 85.6 | 125 | 106.7 | -61.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 923 | I | 27.9 | Very low | 28 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 103.8 | 106.9 | 138.2 | -69.7 | 158 | 0 | 0 | 0 | 120.5 | ||||
| 924 | S | 28.5 | Very low | 28 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 65.2 | 130.7 | 146.8 | 66.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 925 | E | 27.4 | Very low | 28.2 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | -62.6 | 172.2 | 154.2 | -47.5 | -176.7 | 144.1 | 0 | 0 | 112.1 | ||||
| 926 | P | 30.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | -133.1 | 140.1 | 87.6 | 36.7 | -27.8 | 0 | 0 | 0 | 114.9 | V928 | P926-V928 HydrophobicContact CG-CG2 4.39Å; P926-V928 PolarHBondContact O-N 3.07Å | |||
| 927 | V | 25.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -63.9 | 118.1 | 162 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 928 | V | 27.2 | Very low | 28.3 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | -127.9 | 96.6 | 167.4 | -173 | 0 | 0 | 0 | 0 | 110 | P926 V930 | P926-V928 HydrophobicContact CG-CG2 4.39Å; P926-V928 PolarHBondContact O-N 3.07Å; V928-V930 HydrophobicContact CG1-CG2 4.02Å; V928-V930 PolarHBondContact O-N 3.24Å | ||
| 929 | S | 24.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -73.4 | 114.1 | 166.3 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 930 | V | 29.1 | Very low | 28.4 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -108.3 | 101.6 | 162 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | V928 | V928-V930 HydrophobicContact CG1-CG2 4.02Å; V928-V930 PolarHBondContact O-N 3.24Å | ||
| 931 | N | 25.2 | Very low | 28.6 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -99.4 | 106.1 | 176.8 | -178.5 | 11.5 | 0 | 0 | 0 | 109.5 | ||||
| 932 | C | 27.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -149.6 | 135.5 | 164.4 | -155.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 933 | G | 27.9 | Very low | 28.6 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | -118.8 | -149.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 934 | Q | 28.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 79.7 | 90.3 | -178.3 | -54.1 | -175.8 | -31.4 | 0 | 0 | 115.2 | ||||
| 935 | N | 28.5 | Very low | 28.8 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | 41.6 | 141 | 118 | -51.7 | -13.2 | 0 | 0 | 0 | 119.4 | |||||
| 936 | F | 27.7 | Very low | 29 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | -167 | 123.6 | 101.1 | -118.4 | -117.5 | 0 | 0 | 0 | 114.2 | |||||
| 937 | F | 28.8 | Very low | 28.9 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | trans | 82 | 141.2 | 143.3 | -92 | -116.7 | 0 | 0 | 0 | 124.9 | ||||
| 938 | T | 27.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -116.7 | 154.4 | -177.3 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 939 | P | 33.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -78.5 | 132.3 | 164.8 | -11.5 | 29.1 | 0 | 0 | 0 | 113.1 | ||||
| 940 | Q | 31.6 | Very low | 29.8 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -43.4 | 145.7 | -175.7 | -56.8 | 172.8 | 3.8 | 0 | 0 | 119.4 | ||||
| 941 | S | 31.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | -127.1 | 147.2 | 124.4 | 63.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 942 | F | 27.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 62% | 0.618 | 75% | 0.752 | S | S | * | * | trans | -142.9 | 109 | -155.6 | -171.5 | -86.5 | 0 | 0 | 0 | 114.2 | ||||
| 943 | V | 32.3 | Very low | 30 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 124 | 151.5 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 944 | Q | 27.7 | Very low | 30.1 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 46% | 0.463 | 75% | 0.746 | S | S | . | * | trans | -62 | 146.6 | 179.4 | -105.2 | 73.3 | 2.9 | 0 | 0 | 115.2 | K946 | Q944-K946 HydrophobicContact CG-CB 3.87Å; Q944-K946 HydrophobicContact CG-CD 4.39Å; Q944-K946 HydrophobicContact CG-CG 4.01Å | ||
| 945 | K | 32.7 | Very low | 30 | Very low | 219 Ų | 219 | 147.2 Ų | 147.2 | 95% | 0.952 | 74% | 0.744 | S | S | * | * | -127.3 | 155 | 107.1 | -107.6 | 171.5 | -177.9 | 173.3 | 0 | 110.1 | |||||
| 946 | K | 31.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | trans | -139 | 156.9 | -147.2 | -155 | -165 | 174.9 | -176.2 | 0 | 111.9 | Q944 | Q944-K946 HydrophobicContact CG-CB 3.87Å; Q944-K946 HydrophobicContact CG-CD 4.39Å; Q944-K946 HydrophobicContact CG-CG 4.01Å | ||
| 947 | L | 29.6 | Very low | 30 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | trans | 76.9 | 146.2 | 166.3 | -54.9 | 172.2 | 0 | 0 | 0 | 114.9 | ||||
| 948 | L | 32.9 | Very low | 30 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | -156.6 | 149.1 | 15.5 | -134.6 | 154.9 | 0 | 0 | 0 | 111.9 | ||||
| 949 | G | 32.2 | Very low | 29.9 | Very low | 54 Ų | 54 | 146.8 Ų | 146.8 | 56% | 0.557 | 75% | 0.747 | S | S | * | * | trans | 78.4 | 100.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 950 | E | 30.8 | Very low | 29.5 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | 63.9 | 106.7 | 63.5 | -54.7 | 171.8 | 119.1 | 0 | 0 | 110.7 | |||||
| 951 | E | 26.1 | Very low | 29.3 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | 45.6 | 129.6 | 71.1 | -69 | -158.1 | 150.4 | 0 | 0 | 112.2 | |||||
| 952 | N | 28.3 | Very low | 29.4 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -156.8 | 156.1 | 32.8 | -133.8 | -75 | 0 | 0 | 0 | 107 | ||||
| 953 | H | 33.2 | Very low | 29.5 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | 174.1 | 153.8 | 80.3 | -113.6 | -2.8 | 0 | 0 | 0 | 113.2 | |||||
| 954 | N | 29.1 | Very low | 29.3 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | trans | 36.7 | 123.7 | 145.5 | -80.2 | -52.2 | 0 | 0 | 0 | 123.9 | ||||
| 955 | R | 26.8 | Very low | 29.5 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | 40 | 113.4 | 124.6 | -56.3 | 174 | -178.3 | -163.5 | -1.3 | 118.6 | |||||
| 956 | H | 30.8 | Very low | 29.5 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | -170.5 | 154.9 | 100.9 | -108.6 | -75.8 | 0 | 0 | 0 | 114.8 | |||||
| 957 | S | 26.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | 11.9 | 139.4 | 150.9 | -52.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 958 | L | 28 | Very low | 29.8 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 68.1 | 112.9 | 146.9 | -65.6 | 166.7 | 0 | 0 | 0 | 119.2 | L960 | L958-L960 PolarHBondContact O-N 3.29Å; L958-L960 VanDerWaalsContact O-N 3.07Å | ||
| 959 | H | 25 | Very low | 29.8 | Very low | 190 Ų | 190 | 139 Ų | 139 | 88% | 0.88 | 74% | 0.74 | S | S | * | * | trans | -73.4 | 89.5 | 158.5 | 177.4 | -74.5 | 0 | 0 | 0 | 110 | ||||
| 960 | L | 26.1 | Very low | 29.9 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | trans | -108.2 | 128 | 166.2 | -87.4 | 167.9 | 0 | 0 | 0 | 110.8 | L958 | L958-L960 PolarHBondContact O-N 3.29Å; L958-L960 VanDerWaalsContact O-N 3.07Å | ||
| 961 | S | 27.5 | Very low | 30.1 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | 29.7 | 117.3 | 150.5 | -53.6 | 0 | 0 | 0 | 0 | 120.1 | S963 | S961-S963 PolarHBondContact O-N 2.8Š| ||
| 962 | P | 32.9 | Very low | 30.5 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | trans | -70.3 | 94.2 | 154.5 | 30.9 | -31.8 | 0 | 0 | 0 | 109.5 | ||||
| 963 | S | 28.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -88.9 | 114.4 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | S961 | S961-S963 PolarHBondContact O-N 2.8Š| ||
| 964 | E | 29.4 | Very low | 30.7 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -154.7 | 100.2 | 158 | -139.9 | 178.5 | -128.9 | 0 | 0 | 112.8 | ||||
| 965 | S | 31.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 172.8 | 152.4 | 123 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 966 | N | 32.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 73.5 | 111.5 | 156.5 | -59.6 | -26.1 | 0 | 0 | 0 | 120.8 | ||||
| 967 | A | 33.8 | Very low | 32.1 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 100.9 | 99.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 968 | E | 33.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | 68.3 | 123 | 127.1 | -74.2 | -162.5 | 82.7 | 0 | 0 | 122.3 | |||||
| 969 | K | 34.4 | Very low | 33.1 | Very low | 166 Ų | 166 | 131 Ų | 131 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | 91.9 | 114.6 | 127.1 | -82.2 | -174.7 | 171.1 | 128.4 | 0 | 120.6 | |||||
| 970 | V | 34 | Very low | 33.8 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | 92.8 | 106.9 | 117.2 | 166.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 971 | I | 34.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 52.1 | 122.7 | 132.1 | -53 | 176.2 | 0 | 0 | 0 | 117.6 | ||||
| 972 | G | 33.6 | Very low | 34.7 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | 163.1 | 81.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 973 | N | 34.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | 59.9 | 102 | 134.3 | -61.4 | -15.3 | 0 | 0 | 0 | 122.1 | ||||
| 974 | K | 32.2 | Very low | 34.8 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | 77.3 | 164.7 | 102.7 | -149.2 | -173.3 | 170.7 | -97.6 | 0 | 118.7 | |||||
| 975 | V | 36 | Very low | 35 | Very low | 89 Ų | 89 | 127 Ų | 127 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | trans | 83.9 | 105.6 | 156.5 | -69.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 976 | D | 38.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | 78.6 | 139.2 | 117.3 | -54.7 | -3.9 | 0 | 0 | 0 | 118.5 | |||||
| 977 | H | 41 | Very low | 34.6 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | cis | -161.9 | 175.7 | -13.8 | -133.3 | -84.5 | 0 | 0 | 0 | 109.4 | ||||
| 978 | D | 38.1 | Very low | 34.3 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 66% | 0.658 | 69% | 0.688 | S | S | * | * | trans | 69.8 | 139.2 | 153.1 | -58.7 | -22.3 | 0 | 0 | 0 | 119.9 | ||||
| 979 | D | 37.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | cis | -154.2 | 167.4 | -10.9 | -138 | -27.3 | 0 | 0 | 0 | 115.2 | ||||
| 980 | H | 40.2 | Very low | 33.5 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | trans | 68.4 | 75.2 | 154.2 | -69.4 | -5.5 | 0 | 0 | 0 | 120.5 | ||||
| 981 | L | 36.2 | Very low | 33.1 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 73% | 0.728 | 69% | 0.689 | S | S | * | * | -50.7 | 162.3 | 124.1 | -112.7 | 68.1 | 0 | 0 | 0 | 111.4 | S983 | L981-S983 WeakPolarHBondContact CD2-OG 3.43Š| |||
| 982 | P | 36.9 | Very low | 32.6 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | -133.3 | 157.4 | 53.2 | 16.4 | 10.1 | 0 | 0 | 0 | 114.2 | |||||
| 983 | S | 31.2 | Very low | 32.2 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | 61.6 | 136.1 | 64.7 | -43.3 | 0 | 0 | 0 | 0 | 114.5 | L981 | L981-S983 WeakPolarHBondContact CD2-OG 3.43Š| |||
| 984 | N | 31.6 | Very low | 31.8 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 68% | 0.684 | 69% | 0.691 | S | S | * | * | 178.6 | 149.6 | 104.1 | -92.8 | -39.6 | 0 | 0 | 0 | 115.2 | |||||
| 985 | H | 33.5 | Very low | 32 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | 35.4 | 122.2 | 161 | -68.3 | -93.8 | 0 | 0 | 0 | 120.2 | ||||
| 986 | S | 27.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | cis | 73.6 | 159.6 | 44.1 | -164.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 987 | L | 28.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 71% | 0.707 | 71% | 0.705 | S | S | * | * | trans | 71.5 | 153.4 | -178.9 | -49.4 | 176.6 | 0 | 0 | 0 | 114 | ||||
| 988 | I | 26.1 | Very low | 31.5 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | cis | 178.5 | 136 | -34.7 | -122 | 175.4 | 0 | 0 | 0 | 103.4 | ||||
| 989 | V | 26.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | trans | 64.5 | 126.4 | 150.4 | 172.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 990 | Q | 25.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 68.4 | 139.7 | 149.9 | -78 | 163.5 | -15.4 | 0 | 0 | 122.5 | ||||
| 991 | Q | 25.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | 72.3 | 121.7 | 135.7 | -74.8 | 173.5 | -35.3 | 0 | 0 | 122 | ||||
| 992 | T | 25 | Very low | 31 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | 80.4 | 146.6 | 133 | 52.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 993 | S | 25.7 | Very low | 31.4 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | trans | 70.6 | 109.4 | 148 | 47.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 994 | C | 26.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | 75.5 | 114.6 | 123.8 | -57.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 995 | S | 35.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -51.6 | 172.6 | 143 | -27.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 996 | P | 38.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | -161.7 | -171.7 | 82.8 | 43.8 | -23.2 | 0 | 0 | 0 | 117.7 | |||||
| 997 | I | 31.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | trans | 77.1 | 137.6 | 150.8 | -81.2 | 166.5 | 0 | 0 | 0 | 116.1 | ||||
| 998 | N | 35.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | cis | -147.5 | 161.4 | 27 | -149 | -3.8 | 0 | 0 | 0 | 116.4 | ||||
| 999 | S | 35.5 | Very low | 34 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 66.3 | 137 | 154.4 | -67.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1000 | L | 35.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -166.8 | 150.9 | -18.9 | -146.1 | 71.8 | 0 | 0 | 0 | 112.7 | ||||
| 1001 | V | 36.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 70.4 | 88.5 | 160.2 | -158.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1002 | S | 33.5 | Very low | 36.9 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | 44.6 | 162 | 99.9 | -57.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1003 | P | 46.1 | Very low | 37.6 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -148.2 | 168.7 | -32.6 | 39.3 | -20.4 | 0 | 0 | 0 | 118.4 | ||||
| 1004 | S | 37.3 | Very low | 38 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | 124.5 | 138.4 | 118.1 | -142.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1005 | A | 40.8 | Very low | 38.6 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 72.4 | 136.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1006 | D | 39.7 | Very low | 38.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -167 | 158.8 | -19.5 | -150.1 | -3.7 | 0 | 0 | 0 | 115 | ||||
| 1007 | N | 37.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 56% | 0.561 | 75% | 0.752 | S | S | * | * | trans | 57.5 | 147.3 | 161.3 | -63.6 | -65.7 | 0 | 0 | 0 | 121.1 | ||||
| 1008 | R | 37.1 | Very low | 39.4 | Very low | 226 Ų | 226 | 128.9 Ų | 128.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | cis | -162.2 | 166.7 | -8.8 | -118.8 | 169.4 | -163.4 | -132.5 | -0.4 | 112.6 | ||||
| 1009 | S | 39.5 | Very low | 39.7 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -142.2 | 178.9 | 177 | -46.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1010 | P | 39.8 | Very low | 39.7 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | -157.3 | -146.2 | 84.5 | 52.2 | -29.9 | 0 | 0 | 0 | 113.3 | |||||
| 1011 | P | 43.2 | Very low | 39.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -143.8 | -158.1 | -138.8 | 38.8 | -8.8 | 0 | 0 | 0 | 116.9 | ||||
| 1012 | P | 55.1 | Low | 39.8 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -121.2 | -175.1 | -170 | 44.9 | -34.8 | 0 | 0 | 0 | 118.1 | ||||
| 1013 | P | 39.3 | Very low | 39.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -119.1 | -157.3 | 169.3 | 40.6 | -28.2 | 0 | 0 | 0 | 114.1 | ||||
| 1014 | I | 35.3 | Very low | 39.4 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | -152 | 166.3 | -84.5 | -98.9 | 164.5 | 0 | 0 | 0 | 111.7 | |||||
| 1015 | Q | 39.2 | Very low | 39 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -88.3 | -178.9 | -179.1 | -62.6 | -176.8 | -12.9 | 0 | 0 | 115.5 | ||||
| 1016 | P | 38.2 | Very low | 38.6 | Very low | 133 Ų | 133 | 138 Ų | 138 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | -144.4 | -169.4 | 108.5 | 38.8 | -22.6 | 0 | 0 | 0 | 117.3 | |||||
| 1017 | K | 34.1 | Very low | 38 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -114.6 | -141.9 | -159.6 | -60.4 | 174.9 | -178.6 | 174.6 | 0 | 115.3 | ||||
| 1018 | P | 49.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | -123.6 | -162.4 | -100.8 | 41 | -22.1 | 0 | 0 | 0 | 114 | |||||
| 1019 | V | 41 | Very low | 36.9 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -174 | 153.3 | 141.8 | 136.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1020 | H | 36.9 | Very low | 36.4 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -35.3 | -175.6 | 176 | -71.9 | -82.7 | 0 | 0 | 0 | 121.8 | ||||
| 1021 | L | 36.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | cis | -172.9 | 137.1 | 35.1 | -163.3 | 58.5 | 0 | 0 | 0 | 117.9 | ||||
| 1022 | K | 37 | Very low | 35.2 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | 60.5 | 159.3 | 148.3 | -73.2 | 179.3 | 174.4 | -174.2 | 0 | 120.9 | ||||
| 1023 | H | 35.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | cis | -167.8 | 162.4 | -9.1 | -112.3 | -19.5 | 0 | 0 | 0 | 113.1 | ||||
| 1024 | H | 34.3 | Very low | 33.4 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | trans | 58.8 | 141 | 153.5 | -77.9 | -114.2 | 0 | 0 | 0 | 121.3 | ||||
| 1025 | Q | 29.4 | Very low | 33 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | cis | 101.9 | 92.7 | 11.8 | -168.5 | -167.1 | 18.5 | 0 | 0 | 116.8 | I1027 | Q1025-I1027 HydrophobicContact CG-CD1 4.41Š| ||
| 1026 | A | 32.8 | Very low | 32.7 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -167.4 | 137.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1027 | I | 26.2 | Very low | 32.4 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | 90.2 | 129.1 | 27.6 | -59.5 | 175.6 | 0 | 0 | 0 | 114.3 | Q1025 | Q1025-I1027 HydrophobicContact CG-CD1 4.41Š| ||
| 1028 | S | 27.1 | Very low | 32.3 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | 75 | 101.7 | 164.4 | -74.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1029 | Q | 25.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 63.7 | 164.1 | 107.4 | -70.3 | -175 | -11.5 | 0 | 0 | 122.2 | |||||
| 1030 | Y | 27.4 | Very low | 30.7 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | trans | 77.4 | 105.2 | 166.7 | -72.3 | -75.3 | 0 | 0 | 0 | 119.5 | ||||
| 1031 | H | 28.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 149 Ų | 149 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | 46.1 | 133.5 | 117.2 | -73 | -132.4 | 0 | 0 | 0 | 118 | |||||
| 1032 | F | 31.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | -154.2 | 155.4 | 55.9 | -128.4 | -81.5 | 0 | 0 | 0 | 114.8 | |||||
| 1033 | N | 26.4 | Very low | 30.3 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -55.3 | 141 | 163.7 | -85.9 | -87.2 | 0 | 0 | 0 | 112.3 | ||||
| 1034 | R | 30.1 | Very low | 30.2 | Very low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | -168.4 | 149.9 | 106 | -104.4 | 171.2 | -175.3 | -163 | 1.1 | 115.5 | |||||
| 1035 | K | 27.1 | Very low | 30.5 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -58.6 | 128.8 | 178.4 | -54.7 | 170.1 | 178 | -177.4 | 0 | 113.1 | ||||
| 1036 | T | 31.8 | Very low | 31.2 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -163.3 | 137.5 | 140.5 | 15.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1037 | A | 31.1 | Very low | 31.3 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -79.5 | 143.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1038 | P | 32.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -143.1 | -176.3 | 118.8 | 38 | -23.7 | 0 | 0 | 0 | 114.9 | |||||
| 1039 | R | 28 | Very low | 32.1 | Very low | 230 Ų | 230 | 158.1 Ų | 158.1 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -71.2 | 159.2 | -168.8 | -64.8 | 174.6 | 163.4 | -172.1 | -4.5 | 116.1 | ||||
| 1040 | M | 28.4 | Very low | 32.2 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 64.9 | 118.3 | 146.4 | -58.5 | -117.2 | 77.7 | 0 | 0 | 119.5 | ||||
| 1041 | S | 29.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -153.1 | 116.1 | 146.8 | -79.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1042 | R | 34.5 | Very low | 32.9 | Very low | 220 Ų | 220 | 151.3 Ų | 151.3 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 128.8 | 166 | -80.8 | -171.3 | 173.8 | -148.1 | 0.6 | 107.9 | ||
| 1043 | P | 38.8 | Very low | 33 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138.1 | 173.2 | -22.1 | 34.2 | 0 | 0 | 0 | 112 | ||
| 1044 | C | 32 | Very low | 33.5 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 153.8 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1045 | P | 41.2 | Very low | 33.7 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 144.1 | 161.3 | 31.6 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 1046 | P | 44.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 167.3 | 179.3 | 31.8 | -35.1 | 0 | 0 | 0 | 113.4 | ||
| 1047 | P | 35.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -104.4 | 168.5 | -135.9 | 38.4 | -38.4 | 0 | 0 | 0 | 116.4 | ||||
| 1048 | R | 34.3 | Very low | 34.4 | Very low | 248 Ų | 248 | 136.8 Ų | 136.8 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -113.8 | 133.4 | 149.3 | -71.3 | -171 | 174.9 | -144.1 | -1 | 109 | ||||
| 1049 | T | 35.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 138 Ų | 138 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -77.2 | 151.7 | 176 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1050 | C | 28.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -153 | 145.5 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1051 | S | 35 | Very low | 35 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -141.7 | 108.1 | 179.3 | -57.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1052 | T | 34.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | 87.5 | 134 | 89.3 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1053 | L | 34.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -165.9 | -177.7 | -3.3 | -146.1 | 81.8 | 0 | 0 | 0 | 112.1 | ||||
| 1054 | S | 35.6 | Very low | 34.9 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 72.8 | 128.1 | 165.4 | -68.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1055 | S | 35.9 | Very low | 34.7 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | cis | 86.1 | 144.3 | 33.1 | 83.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1056 | H | 38 | Very low | 34.3 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 89% | 0.889 | 78% | 0.782 | S | S | * | * | cis | -153.3 | 168.2 | 29.1 | -101.3 | -82.6 | 0 | 0 | 0 | 113.5 | ||||
| 1057 | G | 35.2 | Very low | 33.8 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 147.8 | 133.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1058 | C | 31.2 | Very low | 34 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 54% | 0.541 | 78% | 0.782 | S | S | . | * | trans | -146.6 | 161.1 | -176.9 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1059 | L | 35 | Very low | 33.8 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | 164.2 | 163.2 | 120.9 | -87.7 | 171.7 | 0 | 0 | 0 | 115.9 | |||||
| 1060 | A | 36.3 | Very low | 33.5 | Very low | 79 Ų | 79 | 120.5 Ų | 120.5 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | 58.2 | 140 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1061 | M | 29.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | cis | 85.1 | 107.6 | 17.3 | -66.6 | -171.5 | 149.9 | 0 | 0 | 118.4 | ||||
| 1062 | T | 35.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | -172 | 173.5 | 128 | 18.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1063 | S | 31.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -93.4 | 152.2 | -176.5 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1064 | G | 34.6 | Very low | 33.8 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -158.7 | 132.7 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1065 | V | 27.8 | Very low | 33.6 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -113.3 | 129.8 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1066 | S | 32.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 178.9 | 147 | 138.5 | -82.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1067 | M | 35.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 125 Ų | 125 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -83.4 | 169.9 | 157.9 | -67 | -163.6 | 71.6 | 0 | 0 | 109.6 | ||||
| 1068 | P | 39.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | -113.1 | 158.2 | 95.5 | -11.9 | 30 | 0 | 0 | 0 | 114.5 | |||||
| 1069 | C | 28.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 53% | 0.527 | 79% | 0.789 | S | S | . | * | trans | -84.1 | 171.7 | -178.7 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1070 | D | 30.5 | Very low | 33.4 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 67 | 137.3 | 153.2 | -47.1 | -37.9 | 0 | 0 | 0 | 117.2 | ||||
| 1071 | L | 34.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | cis | -135.8 | 166.3 | 27.8 | -78.6 | 164 | 0 | 0 | 0 | 114.5 | ||||
| 1072 | N | 31.6 | Very low | 33.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -60.5 | 146.1 | -173.6 | -60.7 | -75.9 | 0 | 0 | 0 | 116.6 | ||||
| 1073 | M | 35 | Very low | 32.7 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -140.3 | 131.2 | 147.7 | -100.5 | -70.5 | -176.4 | 0 | 0 | 108.5 | ||||
| 1074 | P | 36.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -88.4 | 173 | -174.4 | 35.7 | -36.4 | 0 | 0 | 0 | 114.1 | ||||
| 1075 | D | 33 | Very low | 32.3 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -56.7 | 147.3 | 177.8 | -78.8 | -65.2 | 0 | 0 | 0 | 114.4 | S1077 | D1075-S1077 PolarHBondContact O-N 3.24Š| ||
| 1076 | P | 35.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 73.3 | 168.5 | 33.1 | -35.4 | 0 | 0 | 0 | 110.9 | ||||
| 1077 | S | 32.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 130.3 | 174 | 56.9 | 0 | 0 | 0 | 0 | 111 | D1075 S1079 | D1075-S1077 PolarHBondContact O-N 3.24Å; S1077-S1079 PolarHBondContact O-N 3.38Å | ||
| 1078 | P | 37 | Very low | 31.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -79.5 | 113.9 | -177.3 | 30.6 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 1079 | S | 34 | Very low | 31 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -147.3 | 164.1 | 177 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | S1077 | S1077-S1079 PolarHBondContact O-N 3.38Š| ||
| 1080 | S | 31.1 | Very low | 31.2 | Very low | 85 Ų | 85 | 136 Ų | 136 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | trans | -53.4 | 140.2 | -162.9 | -169.2 | 0 | 0 | 0 | 0 | 115.7 | D1082 | S1080-D1082 PolarHBondContact OG-N 3.47Å; S1080-D1082 PolarHBondContact OG-OD2 2.87Å | ||
| 1081 | L | 31.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -113.7 | 62 | 151.3 | -106.3 | 173.6 | 0 | 0 | 0 | 110.1 | C1083 | L1081-C1083 VanDerWaalsContact C-N 3.32Å; L1081-C1083 HydrophobicContact CD2-CB 3.89Å; L1081-C1083 PolarHBondContact O-N 2.96Å | ||
| 1082 | D | 26.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -60.8 | 97.4 | 149.2 | -82.4 | -65.1 | 0 | 0 | 0 | 108 | S1080 | S1080-D1082 PolarHBondContact OG-N 3.47Å; S1080-D1082 PolarHBondContact OG-OD2 2.87Å | ||
| 1083 | C | 28.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | trans | -138.4 | 86.6 | 172.3 | -123.9 | 0 | 0 | 0 | 0 | 112.4 | L1081 | L1081-C1083 VanDerWaalsContact C-N 3.32Å; L1081-C1083 HydrophobicContact CD2-CB 3.89Å; L1081-C1083 PolarHBondContact O-N 2.96Å | ||
| 1084 | K | 29.8 | Very low | 31.2 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | trans | 52.1 | 115.8 | 133.1 | -70.7 | -177.5 | 174.4 | -179.3 | 0 | 119.4 | S1086 | K1084-S1086 PolarHBondContact O-N 3.46Š| ||
| 1085 | I | 26.9 | Very low | 31 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | -33 | 112.8 | 128 | -58.9 | 161.4 | 0 | 0 | 0 | 111.8 | F1087 | I1085-F1087 HydrophobicContact CG2-CD2 4.32Š| |||
| 1086 | S | 26.5 | Very low | 31 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | trans | -160.2 | 112.4 | 149.7 | 49.2 | 0 | 0 | 0 | 0 | 106.8 | K1084 | K1084-S1086 PolarHBondContact O-N 3.46Š| ||
| 1087 | F | 25 | Very low | 30.9 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | 57.1 | 101.5 | 81.2 | -85.5 | -83.3 | 0 | 0 | 0 | 113.5 | I1085 | I1085-F1087 HydrophobicContact CG2-CD2 4.32Š| |||
| 1088 | C | 27.6 | Very low | 30.9 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | -159.2 | 122.6 | 123.7 | -88.4 | 0 | 0 | 0 | 0 | 104.4 | |||||
| 1089 | E | 28.5 | Very low | 30.7 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | 65.8 | 123.2 | 88.7 | -65.9 | 164.6 | 171.5 | 0 | 0 | 111.1 | |||||
| 1090 | D | 33.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -158.3 | 175.8 | 3.1 | -80.1 | -36.9 | 0 | 0 | 0 | 107.3 | ||||
| 1091 | D | 34.4 | Very low | 30.9 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | cis | -159.1 | 157.4 | 8.2 | -142.3 | -8 | 0 | 0 | 0 | 114.8 | ||||
| 1092 | N | 32.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 57% | 0.572 | 74% | 0.735 | S | S | * | * | trans | 51.1 | 123.9 | 142.4 | -76 | -31.9 | 0 | 0 | 0 | 127.1 | ||||
| 1093 | Y | 31.6 | Very low | 31 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | 69.3 | 145.8 | 128.5 | -79.9 | -122.9 | 0 | 0 | 0 | 121.4 | |||||
| 1094 | Y | 31.9 | Very low | 31 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | cis | -159.3 | -177.2 | -13.4 | -143.3 | -129.5 | 0 | 0 | 0 | 111.9 | ||||
| 1095 | E | 31.8 | Very low | 31.1 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -37.3 | 172.4 | 177.4 | -59.6 | 178.3 | 135.7 | 0 | 0 | 121.5 | ||||
| 1096 | G | 33.6 | Very low | 31.4 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 128.8 | 54.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1097 | S | 33.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | 65.8 | 115.5 | 83.5 | -163.6 | 0 | 0 | 0 | 0 | 117 | |||||
| 1098 | S | 33.8 | Very low | 31.8 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 67.3 | 115.1 | 140.6 | -58.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1099 | R | 31.7 | Very low | 31.8 | Very low | 248 Ų | 248 | 128.8 Ų | 128.8 | 94% | 0.936 | 74% | 0.735 | S | S | * | * | 58.6 | 115.1 | 125.4 | -63.7 | 171.7 | 161.3 | -178 | -5.8 | 119.1 | |||||
| 1100 | G | 34.1 | Very low | 32.1 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -169.1 | 126.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1101 | S | 34.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -26.7 | 133.3 | 155.6 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1102 | S | 28 | Very low | 31.9 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 67 | 155.8 | 78.3 | -162.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1103 | L | 32.7 | Very low | 32.1 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 77.8 | 107.1 | -155 | -50.5 | 172.5 | 0 | 0 | 0 | 111.2 | ||||
| 1104 | T | 29.4 | Very low | 32.1 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | 71.2 | 140 | 57.7 | 71 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1105 | M | 30.9 | Very low | 32.5 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | 75.3 | 141.9 | -177.4 | -50.5 | -71.2 | -82.7 | 0 | 0 | 113.5 | ||||
| 1106 | A | 33.2 | Very low | 32.5 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | cis | -162.4 | 176.8 | -18.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1107 | S | 31.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 33.7 | 109.1 | 150.9 | -62.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1108 | S | 27.9 | Very low | 32.4 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | 72.7 | 138.7 | 66.4 | 79.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1109 | T | 28.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | 61.8 | 109.2 | 161.7 | 60.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1110 | T | 34.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | -165.2 | 124 | 115 | 32.5 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1111 | N | 28.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | 55.7 | 91.6 | 69.8 | -76.3 | 1.1 | 0 | 0 | 0 | 114.1 | |||||
| 1112 | D | 36.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 168.8 | 154.8 | 138.4 | -94.8 | -35 | 0 | 0 | 0 | 108.8 | ||||
| 1113 | S | 36.4 | Very low | 33.3 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -164.8 | 148.4 | -32 | -108 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1114 | L | 31.5 | Very low | 33.4 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -65 | 149 | -177.8 | -77.4 | 164.2 | 0 | 0 | 0 | 112.5 | ||||
| 1115 | P | 40 | Very low | 33.5 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -123.1 | 124.4 | 130.1 | 34.2 | -28.8 | 0 | 0 | 0 | 112.2 | ||||
| 1116 | S | 31.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -99.2 | 129.3 | 162.5 | 170.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1117 | S | 35.5 | Very low | 33.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -173.6 | 126.3 | 146.9 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1118 | N | 31.2 | Very low | 33.9 | Very low | 165 Ų | 165 | 127 Ų | 127 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | 33.9 | 128.7 | 129.6 | -49 | -23 | 0 | 0 | 0 | 120.5 | |||||
| 1119 | G | 35 | Very low | 34.1 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 178.6 | 82.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1120 | S | 33.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -102 | 136.7 | 172 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1121 | P | 45 | Very low | 34.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -98.3 | 118.3 | 153.7 | 32.9 | -24.6 | 0 | 0 | 0 | 109.2 | ||||
| 1122 | A | 33.9 | Very low | 34.6 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | cis | 87.6 | 107.1 | 22.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1123 | L | 33 | Very low | 34.4 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 73 | 152.6 | 161.1 | -50.7 | 175.1 | 0 | 0 | 0 | 115.6 | ||||
| 1124 | T | 34.8 | Very low | 34 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | cis | -142.7 | 141.7 | 26.2 | -53.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1125 | S | 30.2 | Very low | 34 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -28.6 | 144.1 | 162.8 | 147.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1126 | Y | 34.4 | Very low | 33.4 | Very low | 238 Ų | 238 | 128.6 Ų | 128.6 | 93% | 0.933 | 75% | 0.745 | S | S | * | * | -141.7 | 154.2 | 116.8 | -112.5 | -79.3 | 0 | 0 | 0 | 111.7 | |||||
| 1127 | N | 33.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | trans | -143.9 | 133.4 | -158 | -179.1 | 8.1 | 0 | 0 | 0 | 113.3 | ||||
| 1128 | S | 36.3 | Very low | 32.9 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -165.6 | 124.9 | 151 | -79.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1129 | N | 32.2 | Very low | 32.7 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | 61.7 | 129.7 | 71.2 | -80.7 | -33.5 | 0 | 0 | 0 | 112.8 | |||||
| 1130 | Q | 37.9 | Very low | 32.3 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | cis | -139.7 | 172.7 | 25.3 | -64.5 | -178.2 | 15.7 | 0 | 0 | 115.2 | ||||
| 1131 | N | 31 | Very low | 32 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -53.6 | 174.7 | 163.8 | -53 | -61.3 | 0 | 0 | 0 | 112.5 | ||||
| 1132 | S | 33.5 | Very low | 31.1 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | -175.9 | 164.1 | 35.2 | -149.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1133 | T | 31.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | trans | 75.8 | 97.8 | 140.4 | -57.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1134 | Q | 28.1 | Very low | 30.7 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | 58.5 | 157.5 | 122.5 | -58.2 | -172.6 | -5.3 | 0 | 0 | 124.6 | |||||
| 1135 | R | 32 | Very low | 30.5 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 75% | 0.751 | 73% | 0.728 | S | S | * | * | trans | 75.2 | 95.7 | 155.1 | -73.8 | 160.4 | -146 | -113.8 | 0.5 | 117.2 | ||||
| 1136 | S | 26.3 | Very low | 30.3 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | 74.1 | 150 | 74 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1137 | F | 31.1 | Very low | 30 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | 77.7 | 143.1 | -179.8 | -45 | -65.3 | 0 | 0 | 0 | 115.7 | ||||
| 1138 | S | 26.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -177.2 | 154.7 | -33.9 | -107.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1139 | S | 27.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | 49.9 | 128.6 | 148.4 | 63.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1140 | N | 25.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | 69.7 | 148.6 | 140.5 | -64.3 | -1.1 | 0 | 0 | 0 | 118.4 | ||||
| 1141 | S | 26.6 | Very low | 29 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -166.5 | 172.3 | -14.2 | 46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1142 | N | 27.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -13.1 | 142.7 | 151.8 | -64.4 | -2.8 | 0 | 0 | 0 | 115.3 | ||||
| 1143 | P | 33.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | -157 | 171.7 | 57.2 | 44.8 | -25.7 | 0 | 0 | 0 | 119.7 | |||||
| 1144 | M | 24.5 | Very low | 28.6 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | trans | 56.8 | 168 | 137.4 | -76.4 | -179.6 | 68.6 | 0 | 0 | 122.4 | ||||
| 1145 | S | 29.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | 63.3 | 115.4 | 179.4 | 28.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1146 | S | 26.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | cis | 54.2 | 95 | 42.9 | -37.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1147 | N | 27.6 | Very low | 28.7 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 70% | 0.696 | S | S | * | * | -172.1 | 145.4 | 99.4 | -97.2 | 18.7 | 0 | 0 | 0 | 112.1 | |||||
| 1148 | E | 29.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | trans | 59.5 | 134.7 | 133.6 | -58.4 | 178.3 | 116.4 | 0 | 0 | 120 | ||||
| 1149 | Q | 29.3 | Very low | 28.4 | Very low | 143 Ų | 143 | 127 Ų | 127 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | cis | -156.3 | 151.3 | 5.9 | -121.6 | 163.2 | 30.8 | 0 | 0 | 111.8 | ||||
| 1150 | Q | 33.6 | Very low | 29 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | 65 | 109.7 | 162.7 | -65.1 | 169.9 | 0.9 | 0 | 0 | 117.1 | ||||
| 1151 | I | 27.8 | Very low | 29.1 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | 65.6 | 126.6 | 54.5 | -54.7 | 161.6 | 0 | 0 | 0 | 110.2 | |||||
| 1152 | S | 28.4 | Very low | 29.2 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | cis | -166.7 | -167.9 | -15.5 | 58.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1153 | E | 29.9 | Very low | 29.1 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 58% | 0.575 | 69% | 0.693 | S | S | * | * | cis | -154.2 | 142.9 | 5.1 | -146.9 | 147.6 | -68.2 | 0 | 0 | 112.8 | ||||
| 1154 | N | 29.8 | Very low | 29 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | 9.7 | 153.7 | 146.7 | -62.2 | -59.2 | 0 | 0 | 0 | 125 | ||||
| 1155 | K | 31 | Very low | 29.1 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | trans | 86.7 | 96.9 | 136.4 | -90.6 | -170.9 | 172.4 | -173.6 | 0 | 121.6 | S635 | S635-K1155 WeakPolarHBondContact CB-O 3.42Å; S635-K1155 PolarHBondContact OG-O 2.89Å | ||
| 1156 | L | 27.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | 73.8 | 145.5 | 120.7 | -72.5 | 171.5 | 0 | 0 | 0 | 121.6 | S635 | S635-L1156 WeakPolarHBondContact CB-O 3.41Š| |||
| 1157 | H | 28.9 | Very low | 28.8 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 44% | 0.444 | 70% | 0.703 | S | S | . | * | trans | 79.5 | 100.9 | 148.1 | -85.8 | 41.6 | 0 | 0 | 0 | 120.2 | K633 A634 | K633-H1157 HydrophobicContact CB-CB 4.12Å; A634-H1157 WeakPolarHBondContact O-CB 3.37Å | ||
| 1158 | Y | 26.1 | Very low | 28.7 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | trans | 15.9 | 113.9 | 138 | -91.2 | -98.6 | 0 | 0 | 0 | 118.3 | K633 | K633-Y1158 WeakPolarHBondContact CB-O 3.34Å; K633-Y1158 HydrophobicContact CD-CD2 4.39Å; K633-Y1158 HydrophobicContact CD-CG 4.15Å; K633-Y1158 PolarHBondContact N-O 2.89Å | ||
| 1159 | A | 26.1 | Very low | 28.5 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 56% | 0.562 | 72% | 0.715 | S | S | * | * | trans | -176.8 | 157.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1161 | A1159-P1161 WeakPolarHBondContact O-CD 3.36Š| ||
| 1160 | T | 39.7 | Very low | 28.3 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -68.8 | 134.6 | 171.1 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1161 | P | 28 | Very low | 28.3 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | trans | -122.8 | 150.8 | 153.4 | 35.6 | -23.4 | 0 | 0 | 0 | 113.4 | A1159 | A1159-P1161 WeakPolarHBondContact O-CD 3.36Š| ||
| 1162 | V | 27.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -74.7 | 171.1 | 177.3 | -167.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1163 | I | 26.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | 82.6 | 91.5 | 164.2 | -44.7 | 177 | 0 | 0 | 0 | 116 | N1165 | I1163-N1165 HydrophobicContact CG2-CB 4.18Š| ||
| 1164 | K | 30.1 | Very low | 29 | Very low | 224 Ų | 224 | 132.1 Ų | 132.1 | 97% | 0.974 | 74% | 0.738 | S | S | * | * | -104.7 | 88.8 | 127.7 | -92.7 | -169.7 | 176.1 | -179.6 | 0 | 109 | |||||
| 1165 | N | 26.4 | Very low | 29.2 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -131 | 54.2 | 162.9 | -148.7 | 4.9 | 0 | 0 | 0 | 109.8 | I1163 | I1163-N1165 HydrophobicContact CG2-CB 4.18Š| ||
| 1166 | Q | 25.5 | Very low | 29.2 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -95.3 | 99.7 | 156.9 | -81 | -174.8 | 4.1 | 0 | 0 | 105.8 | ||||
| 1167 | S | 25.3 | Very low | 29.4 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | 80 | 99.8 | 79.9 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1168 | Q | 25.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -159 | 130.7 | 139.2 | -112.3 | 156.2 | 96.3 | 0 | 0 | 112.7 | ||||
| 1169 | C | 24.4 | Very low | 29.8 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 72% | 0.716 | 77% | 0.772 | S | S | * | * | trans | 52.6 | 115.6 | 149.6 | -58.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1170 | S | 26 | Very low | 30 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 66.8 | 142.9 | 134.2 | 60.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1171 | T | 33.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | cis | -145.2 | 154.3 | 26 | -48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1172 | T | 31.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 160.5 | 177.3 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1173 | P | 36.4 | Very low | 29.3 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | -139.4 | 164.2 | 70.5 | 38 | -20.9 | 0 | 0 | 0 | 115.4 | |||||
| 1174 | G | 33.6 | Very low | 29.3 | Very low | 62 Ų | 62 | 141.6 Ų | 141.6 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | 170 | 172.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1175 | Q | 33.2 | Very low | 29.3 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | 82.5 | 133.4 | -178.5 | -52.7 | -170 | 5.6 | 0 | 0 | 117.3 | ||||
| 1176 | V | 30.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -154.2 | 140.5 | -15.6 | 117.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1177 | F | 31.8 | Very low | 29.6 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 51 | 114.9 | 165 | -80.7 | -101.5 | 0 | 0 | 0 | 123.3 | ||||
| 1178 | N | 29.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -73.6 | -170.3 | 155.6 | -140.3 | 0.8 | 0 | 0 | 0 | 109.5 | ||||
| 1179 | P | 34.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | cis | -148.8 | -161.1 | 4.7 | 35.9 | -8.9 | 0 | 0 | 0 | 117.4 | ||||
| 1180 | L | 28.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 135 Ų | 135 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 76.6 | 130.6 | 171.2 | -82.8 | 81.4 | 0 | 0 | 0 | 116.2 | ||||
| 1181 | R | 27.1 | Very low | 29.9 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | 67.7 | 138.1 | 56.9 | -71 | -179.8 | 162.1 | -142.1 | 7.9 | 112.3 | |||||
| 1182 | Q | 28.8 | Very low | 29.6 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -153.9 | 153.1 | 8.5 | -120.2 | 157.4 | -74.1 | 0 | 0 | 108.8 | ||||
| 1183 | S | 25.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -125 | 95 | 171.6 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1184 | T | 27.3 | Very low | 29 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -157.8 | 133.7 | 172.7 | -42.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1185 | L | 29.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | 110.4 | 142.1 | 170.1 | -64 | 166.6 | 0 | 0 | 0 | 116.3 | ||||
| 1186 | G | 31.7 | Very low | 28.4 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 74.2 | 106.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1187 | S | 28 | Very low | 28.3 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | cis | 60.9 | 123.4 | 30.9 | -58.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1188 | N | 27.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 81.4 | 115.3 | 156.6 | -62.8 | -20.8 | 0 | 0 | 0 | 121 | ||||
| 1189 | Q | 27 | Very low | 28.1 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 88 | 101.6 | 131.6 | -70.2 | -177.1 | 27.6 | 0 | 0 | 121.4 | ||||
| 1190 | V | 26.3 | Very low | 28.1 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | 66.1 | 124.3 | 107.9 | 171.8 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1191 | C | 25.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 57.3 | 111.8 | 158.7 | -70.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1192 | M | 26.9 | Very low | 29.3 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -100.4 | 84.1 | 142.7 | -97.9 | -69.5 | 144.1 | 0 | 0 | 110.2 | ||||
| 1193 | N | 26.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -106.1 | 103.5 | 148.2 | -121.7 | 3.2 | 0 | 0 | 0 | 106.1 | ||||
| 1194 | T | 28 | Very low | 29.9 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 76.8 | 150.1 | 165.8 | -13.5 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1195 | V | 28.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | 77.8 | 97.4 | 161.7 | -169.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1196 | C | 26.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 146.7 | 132 | -62.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1197 | E | 27.6 | Very low | 31.6 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | 86.3 | 81 | 136.1 | -80.9 | 159 | -156.5 | 0 | 0 | 122.4 | ||||
| 1198 | T | 28.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | 91 | 123.7 | 113.6 | 46.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1199 | T | 29.7 | Very low | 33.3 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 67 | 123.4 | 141.2 | 55.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1200 | G | 33 | Very low | 34.5 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 169.2 | 19.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1201 | I | 38.9 | Very low | 35.6 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -80.9 | 132 | -177 | -60 | 166.7 | 0 | 0 | 0 | 110.7 | N1203 | I1201-N1203 WeakPolarHBondContact CG2-OD1 3.28Š| ||
| 1202 | P | 42.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | -142.5 | 111.2 | 116.7 | 29.7 | -11 | 0 | 0 | 0 | 115.5 | |||||
| 1203 | N | 35.1 | Very low | 39.1 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 25.5 | 133.6 | 135.9 | -53.9 | -17.5 | 0 | 0 | 0 | 121.6 | I1201 | I1201-N1203 WeakPolarHBondContact CG2-OD1 3.28Š| ||
| 1204 | G | 33.3 | Very low | 40.9 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -173.6 | 63.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1205 | N | 37.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | 51.7 | 119 | 163.1 | -66.6 | -9.4 | 0 | 0 | 0 | 120.8 | ||||
| 1206 | V | 39.4 | Very low | 44.5 | Very low | 137 Ų | 137 | 122 Ų | 122 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 133.2 | 166.9 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1207 | P | 45.6 | Very low | 46.4 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.2 | 169.9 | -16.7 | 30.9 | 0 | 0 | 0 | 111.7 | ||
| 1208 | T | 41.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.4 | 173.3 | 36 | 0 | 0 | 0 | 0 | 112 | ||
| 1209 | P | 51.5 | Low | 49.8 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 153.2 | 174 | 29.2 | -35 | 0 | 0 | 0 | 111.3 | ||
| 1210 | P | 51 | Low | 51.4 | Low | 118 Ų | 118 | 119.5 Ų | 119.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151.5 | 178.5 | 28.2 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 1211 | P | 50 | Low | 52.8 | Low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149.1 | -179.6 | 28.7 | -35.3 | 0 | 0 | 0 | 112 | ||
| 1212 | P | 61.4 | Low | 53.4 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 155.1 | 176.5 | 29.2 | -35.5 | 0 | 0 | 0 | 111.9 | ||
| 1213 | P | 65.5 | Low | 53.7 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.5 | 176.3 | 27.7 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 1214 | P | 63.9 | Low | 54.2 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.9 | -178.6 | 27.7 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 1215 | P | 66.2 | Low | 54.3 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 152.8 | 179 | 28.9 | -35.4 | 0 | 0 | 0 | 111.9 | ||
| 1216 | P | 65.8 | Low | 54.4 | Low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 151.5 | 175.4 | 28.4 | -35.3 | 0 | 0 | 0 | 111.6 | ||
| 1217 | P | 66.2 | Low | 54.4 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 148.7 | 179 | 27.9 | -35 | 0 | 0 | 0 | 111.7 | ||
| 1218 | P | 66.7 | Low | 53.9 | Low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 152.1 | 178.8 | 29.3 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 1219 | P | 62.6 | Low | 53.7 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 152.4 | 175.4 | 28.9 | -35.3 | 0 | 0 | 0 | 111.6 | ||
| 1220 | P | 61.7 | Low | 53 | Low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.9 | 175.2 | 28.6 | -35 | 0 | 0 | 0 | 111.6 | ||
| 1221 | P | 62.1 | Low | 52.2 | Low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 155 | 179.2 | 30.1 | -35.7 | 0 | 0 | 0 | 111.9 | ||
| 1222 | P | 52.4 | Low | 51.5 | Low | 129 Ų | 129 | 126.7 Ų | 126.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 139.3 | 174 | -18.2 | 31.3 | 0 | 0 | 0 | 111.5 | ||
| 1223 | L | 49.4 | Very low | 50.3 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 145.4 | 168 | -68.7 | 175 | 0 | 0 | 0 | 110.1 | M1225 | L1223-M1225 PolarHBondContact O-N 3.22Š|
| 1224 | P | 44.2 | Very low | 48.8 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.3 | -178 | 28.3 | -34.4 | 0 | 0 | 0 | 111.4 | F1226 | P1224-F1226 HydrophobicContact CB-CE2 4.31Å; P1224-F1226 HydrophobicContact CG-CE2 4.04Å; P1224-F1226 PolarHBondContact O-N 3.44Å |
| 1225 | M | 36.4 | Very low | 47.4 | Very low | 187 Ų | 187 | 131 Ų | 131 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 125.2 | 167.3 | -73.8 | -176 | 66 | 0 | 0 | 110 | L1223 | L1223-M1225 PolarHBondContact O-N 3.22Š|
| 1226 | F | 39.5 | Very low | 45.7 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 134.1 | 164.6 | -78.6 | -87 | 0 | 0 | 0 | 109.6 | P1224 | P1224-F1226 HydrophobicContact CB-CE2 4.31Å; P1224-F1226 HydrophobicContact CG-CE2 4.04Å; P1224-F1226 PolarHBondContact O-N 3.44Å |
| 1227 | S | 39.1 | Very low | 44.1 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 145.4 | -178.2 | -51.4 | 0 | 0 | 0 | 0 | 112 | ||
| 1228 | P | 35.2 | Very low | 42.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146.7 | 171.6 | 30.9 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 1229 | V | 37.8 | Very low | 41.3 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -120.6 | 131.7 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1230 | S | 35.3 | Very low | 39.8 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 143.3 | -172.1 | -49.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1231 | P | 34.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -84.3 | 127.8 | 170.5 | 33.2 | -31.7 | 0 | 0 | 0 | 111.3 | ||||
| 1232 | N | 35.6 | Very low | 37 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -165.4 | 106.2 | 161.5 | -104.1 | -30.3 | 0 | 0 | 0 | 110.7 | ||||
| 1233 | N | 35.9 | Very low | 36.1 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 161.8 | 123.9 | 140.8 | -83.4 | -24.4 | 0 | 0 | 0 | 110.7 | ||||
| 1234 | L | 34 | Very low | 35.1 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -93.7 | 169.8 | 171.4 | -146.9 | 72.1 | 0 | 0 | 0 | 109.2 | T1236 | L1234-T1236 WeakPolarHBondContact CD2-OG1 3.2Š| ||
| 1235 | P | 34.7 | Very low | 34.4 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -142.8 | 157.3 | 85.1 | 34.6 | -16.9 | 0 | 0 | 0 | 116.3 | |||||
| 1236 | T | 30 | Very low | 34.3 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 64% | 0.638 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 159.3 | -173.7 | -22.2 | 0 | 0 | 0 | 0 | 114.7 | L1234 | L1234-T1236 WeakPolarHBondContact CD2-OG1 3.2Š| ||
| 1237 | L | 33.1 | Very low | 34.1 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -158.9 | 151.8 | 133.3 | -106.7 | 160.8 | 0 | 0 | 0 | 110.8 | ||||
| 1238 | H | 32.1 | Very low | 33.7 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -160.4 | -177.6 | -162.2 | -160.8 | -129.6 | 0 | 0 | 0 | 108.7 | ||||
| 1239 | P | 40.7 | Very low | 33.6 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | -112.8 | -173.3 | -78.9 | 42.4 | -31.1 | 0 | 0 | 0 | 112.8 | |||||
| 1240 | S | 32 | Very low | 33.3 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -156.4 | 148.4 | 137.4 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1241 | L | 32.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -110.6 | 153 | 174.6 | -85.5 | 150.4 | 0 | 0 | 0 | 110 | ||||
| 1242 | E | 31.9 | Very low | 33.2 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | -156.1 | 160.4 | 122.7 | -113.8 | 170.1 | -167 | 0 | 0 | 110.1 | |||||
| 1243 | E | 33 | Very low | 32.9 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -133.1 | -153.8 | -157.4 | -152.5 | -161.4 | 142.5 | 0 | 0 | 111.7 | ||||
| 1244 | I | 29.5 | Very low | 33 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 86.1 | 128.6 | 164.4 | -59.9 | 172.6 | 0 | 0 | 0 | 116.4 | ||||
| 1245 | T | 29.1 | Very low | 33.3 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -165.3 | 155.3 | -13.4 | -95 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1246 | C | 34.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -99.5 | 167.6 | 172.2 | -51.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1247 | P | 33.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -114.1 | 130.1 | 144.3 | -1.1 | 22.8 | 0 | 0 | 0 | 111.4 | ||||
| 1248 | K | 32.3 | Very low | 34 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | 77.7 | 146.8 | 75 | -74.8 | 178.5 | -178.7 | 179.6 | 0 | 113.6 | |||||
| 1249 | S | 32.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | cis | -177.1 | 163 | -3.2 | 42.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1250 | S | 30.3 | Very low | 34.1 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -174.3 | -167.8 | -14.3 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1251 | N | 34.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 60% | 0.604 | 70% | 0.702 | S | S | * | * | trans | 75.9 | 149 | 159.9 | -65.9 | -14.8 | 0 | 0 | 0 | 119.5 | ||||
| 1252 | Y | 34.3 | Very low | 35.1 | Very low | 202 Ų | 202 | 126.2 Ų | 126.2 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | cis | -135.2 | 154.8 | -2 | -87.3 | -64.2 | 0 | 0 | 0 | 111.4 | ||||
| 1253 | D | 29.3 | Very low | 35.9 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | trans | -110.1 | 129.1 | 171.8 | -106 | -55.2 | 0 | 0 | 0 | 111 | ||||
| 1254 | E | 38 | Very low | 36.5 | Very low | 169 Ų | 169 | 116.6 Ų | 116.6 | 79% | 0.79 | 64% | 0.644 | S | S | * | * | trans | -152.8 | -13 | 172.7 | -145 | 176.1 | -169.5 | 0 | 0 | 115.2 | L1256 | E1254-L1256 PolarHBondContact O-N 2.68Š| ||
| 1255 | N | 40.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -15.4 | -169.8 | -72 | -37.2 | 0 | 0 | 0 | 115.8 | A1257 T1258 | N1255-A1257 VanDerWaalsContact C-N 3.3Å; N1255-A1257 PolarHBondContact O-N 2.91Å; N1255-T1258 PolarHBondContact O-N 3.19Å; N1255-T1258 PolarHBondContact O-OG1 3.39Å |
| 1256 | L | 39.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.6 | -24.6 | -166.9 | -157.8 | 72.9 | 0 | 0 | 0 | 114.1 | E1254 | E1254-L1256 PolarHBondContact O-N 2.68Å |
| 1257 | A | 32.5 | Very low | 39.5 | Very low | 46 Ų | 46 | 109 Ų | 109 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.7 | -36.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1255 V1261 | N1255-A1257 VanDerWaalsContact C-N 3.3Å; N1255-A1257 PolarHBondContact O-N 2.91Å; A1257-V1261 WeakPolarHBondContact O-CG2 3.44Å; A1257-V1261 PolarHBondContact O-N 3.43Å; A1257-V1261 VanDerWaalsContact O-N 3.11Å |
| 1258 | T | 40.4 | Very low | 40.5 | Very low | 94 Ų | 94 | 106.5 Ų | 106.5 | 58% | 0.577 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | -176.3 | 9.7 | 0 | 0 | 0 | 0 | 113.2 | N1255 S1262 | N1255-T1258 PolarHBondContact O-N 3.19Å; N1255-T1258 PolarHBondContact O-OG1 3.39Å; T1258-S1262 WeakPolarHBondContact O-CB 3.46Å; T1258-S1262 PolarHBondContact O-N 2.78Å |
| 1259 | D | 36.5 | Very low | 41.3 | Very low | 104 Ų | 104 | 99.9 Ų | 99.9 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.3 | -39.9 | 179.7 | -72.1 | -34 | 0 | 0 | 0 | 112 | S1262 V1263 | D1259-S1262 PolarHBondContact O-N 3.35Å; D1259-V1263 WeakPolarHBondContact O-CG2 3.41Å; D1259-V1263 PolarHBondContact O-N 2.81Å |
| 1260 | L | 39 | Very low | 42.5 | Very low | 116 Ų | 116 | 97.2 Ų | 97.2 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.5 | -47.6 | 174.4 | -76.7 | 168.4 | 0 | 0 | 0 | 111.6 | S1262 V1263 E1264 | L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.12Å; L1260-V1263 PolarHBondContact O-N 3.02Å; L1260-E1264 WeakPolarHBondContact O-CB 3.43Å; L1260-E1264 PolarHBondContact O-N 3.32Å |
| 1261 | V | 37.6 | Very low | 44.2 | Very low | 87 Ų | 87 | 97.3 Ų | 97.3 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | A1257 T1265 | A1257-V1261 WeakPolarHBondContact O-CG2 3.44Å; A1257-V1261 PolarHBondContact O-N 3.43Å; A1257-V1261 VanDerWaalsContact O-N 3.11Å; V1261-T1265 WeakPolarHBondContact O-CB 3.42Å; V1261-T1265 PolarHBondContact O-N 3.08Å; V1261-T1265 PolarHBondContact O-OG1 2.85Å |
| 1262 | S | 46.9 | Very low | 45.4 | Very low | 62 Ų | 62 | 94.7 Ų | 94.7 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | T1258 D1259 L1260 T1265 A1266 | T1258-S1262 WeakPolarHBondContact O-CB 3.46Å; T1258-S1262 PolarHBondContact O-N 2.78Å; D1259-S1262 PolarHBondContact O-N 3.35Å; L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.12Å; S1262-T1265 PolarHBondContact O-N 3.45Å; S1262-A1266 WeakPolarHBondContact O-CB 3.47Å; S1262-A1266 PolarHBondContact O-N 3.33Å |
| 1263 | V | 49.3 | Very low | 46.5 | Very low | 84 Ų | 84 | 85.9 Ų | 85.9 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | D1259 L1260 T1265 A1266 N1267 | D1259-V1263 WeakPolarHBondContact O-CG2 3.41Å; D1259-V1263 PolarHBondContact O-N 2.81Å; L1260-V1263 PolarHBondContact O-N 3.02Å; V1263-T1265 PolarHBondContact O-N 3.45Å; V1263-A1266 PolarHBondContact O-N 3.45Å; V1263-N1267 VanDerWaalsContact O-CG 3.3Å; V1263-N1267 PolarHBondContact O-N 2.77Å; V1263-N1267 PolarHBondContact O-ND2 2.9Å |
| 1264 | E | 45.3 | Very low | 48.3 | Very low | 83 Ų | 83 | 80.4 Ų | 80.4 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.8 | -168.9 | 172.6 | -169.1 | 0 | 0 | 111.5 | L1260 N1267 L1268 R1388 | L1260-E1264 WeakPolarHBondContact O-CB 3.43Å; L1260-E1264 PolarHBondContact O-N 3.32Å; E1264-N1267 PolarHBondContact O-N 3.42Å; E1264-L1268 HydrophobicContact CG-CD1 4.22Å; E1264-L1268 WeakPolarHBondContact O-CB 3.45Å; E1264-L1268 WeakPolarHBondContact O-CG 3.31Å; E1264-L1268 PolarHBondContact O-N 3.17Å; E1264-R1388 IonicContact OE1-CZ 2.63Å; E1264-R1388 IonicContact OE1-NH1 2.66Å; E1264-R1388 PolarHBondContact OE1-NH1 3Å |
| 1265 | T | 49.1 | Very low | 49.8 | Very low | 63 Ų | 63 | 75.8 Ų | 75.8 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | V1261 S1262 V1263 N1267 L1268 M1269 | V1261-T1265 WeakPolarHBondContact O-CB 3.42Å; V1261-T1265 PolarHBondContact O-N 3.08Å; V1261-T1265 PolarHBondContact O-OG1 2.85Å; S1262-T1265 PolarHBondContact O-N 3.45Å; V1263-T1265 PolarHBondContact O-N 3.45Å; T1265-N1267 VanDerWaalsContact C-N 3.33Å; T1265-N1267 PolarHBondContact O-N 3.12Å; T1265-L1268 PolarHBondContact O-N 2.97Å; T1265-M1269 HydrophobicContact CG2-CG 4.25Å; T1265-M1269 WeakPolarHBondContact O-CB 3.33Å; T1265-M1269 WeakPolarHBondContact O-CG 3.45Å; T1265-M1269 PolarHBondContact O-N 2.81Å |
| 1266 | A | 49.2 | Very low | 50.9 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1262 V1263 S1270 | S1262-A1266 WeakPolarHBondContact O-CB 3.47Å; S1262-A1266 PolarHBondContact O-N 3.33Å; V1263-A1266 PolarHBondContact O-N 3.45Å; A1266-S1270 WeakPolarHBondContact O-CB 3.49Å; A1266-S1270 PolarHBondContact O-N 3.32Å; A1266-S1270 PolarHBondContact O-OG 2.9Å |
| 1267 | N | 58 | Low | 52.3 | Low | 103 Ų | 103 | 70.3 Ų | 70.3 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.5 | -47.5 | 173.8 | -72.2 | -24.9 | 0 | 0 | 0 | 111.6 | V1263 E1264 T1265 M1269 S1270 E1271 | V1263-N1267 VanDerWaalsContact O-CG 3.3Å; V1263-N1267 PolarHBondContact O-N 2.77Å; V1263-N1267 PolarHBondContact O-ND2 2.9Å; E1264-N1267 PolarHBondContact O-N 3.42Å; T1265-N1267 VanDerWaalsContact C-N 3.33Å; T1265-N1267 PolarHBondContact O-N 3.12Å; N1267-M1269 PolarHBondContact O-N 3Å; N1267-S1270 WeakPolarHBondContact O-CB 3.39Å; N1267-S1270 PolarHBondContact O-N 2.94Å; N1267-S1270 VanDerWaalsContact O-N 3.13Å; N1267-E1271 PolarHBondContact O-N 3.28Å |
| 1268 | L | 55.1 | Low | 53.9 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.2 | -72.8 | 169.7 | 0 | 0 | 0 | 112.1 | E1264 T1265 S1270 E1271 L1272 | E1264-L1268 HydrophobicContact CG-CD1 4.22Å; E1264-L1268 WeakPolarHBondContact O-CB 3.45Å; E1264-L1268 WeakPolarHBondContact O-CG 3.31Å; E1264-L1268 PolarHBondContact O-N 3.17Å; T1265-L1268 PolarHBondContact O-N 2.97Å; L1268-S1270 VanDerWaalsContact C-N 3.32Å; L1268-S1270 PolarHBondContact O-N 3.41Å; L1268-E1271 PolarHBondContact O-N 2.99Å; L1268-L1272 VanDerWaalsContact O-CB 3.3Å; L1268-L1272 WeakPolarHBondContact O-CB 3.38Å; L1268-L1272 PolarHBondContact O-N 2.7Å |
| 1269 | M | 48.9 | Very low | 54.7 | Low | 59 Ų | 59 | 72 Ų | 72 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 174.5 | -70.1 | -74.5 | -74.9 | 0 | 0 | 112.2 | F39 T1265 N1267 S1273 | F39-M1269 HydrophobicContact CD1-CE 3.8Å; F39-M1269 HydrophobicContact CE1-CE 3.3Å; F39-M1269 HydrophobicContact CE1-SD 4.44Å; F39-M1269 HydrophobicContact CZ-CE 3.77Å; F39-M1269 HydrophobicContact CZ-SD 4.36Å; T1265-M1269 HydrophobicContact CG2-CG 4.25Å; T1265-M1269 WeakPolarHBondContact O-CB 3.33Å; T1265-M1269 WeakPolarHBondContact O-CG 3.45Å; T1265-M1269 PolarHBondContact O-N 2.81Å; N1267-M1269 PolarHBondContact O-N 3Å; M1269-S1273 WeakPolarHBondContact O-CB 3.09Å; M1269-S1273 PolarHBondContact O-N 3.17Å |
| 1270 | S | 59.2 | Low | 55.6 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 174.1 | -61.9 | 0 | 0 | 0 | 0 | 112 | A1266 N1267 L1268 S1274 | A1266-S1270 WeakPolarHBondContact O-CB 3.49Å; A1266-S1270 PolarHBondContact O-N 3.32Å; A1266-S1270 PolarHBondContact O-OG 2.9Å; N1267-S1270 WeakPolarHBondContact O-CB 3.39Å; N1267-S1270 PolarHBondContact O-N 2.94Å; N1267-S1270 VanDerWaalsContact O-N 3.13Å; L1268-S1270 VanDerWaalsContact C-N 3.32Å; L1268-S1270 PolarHBondContact O-N 3.41Å; S1270-S1274 WeakPolarHBondContact O-CB 3.39Å; S1270-S1274 PolarHBondContact O-N 3.41Å |
| 1271 | E | 65.3 | Low | 56.7 | Low | 93 Ų | 93 | 64.5 Ų | 64.5 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 176.4 | -179.5 | 53 | -150.7 | 0 | 0 | 111.7 | N1267 L1268 S1273 S1274 Q1275 | N1267-E1271 PolarHBondContact O-N 3.28Å; L1268-E1271 PolarHBondContact O-N 2.99Å; E1271-S1273 VanDerWaalsContact C-N 3.3Å; E1271-S1273 PolarHBondContact O-N 3.12Å; E1271-S1274 CarbonylContact O-C 3.26Å; E1271-S1274 WeakPolarHBondContact O-CA 3.39Å; E1271-S1274 VanDerWaalsContact O-CB 3.26Å; E1271-S1274 WeakPolarHBondContact O-CB 3.31Å; E1271-S1274 PolarHBondContact O-N 3.46Å; E1271-Q1275 WeakPolarHBondContact O-CG 3.45Å; E1271-Q1275 PolarHBondContact O-N 2.77Å; E1271-Q1275 WeakPolarHBondContact OE1-CG 3.41Å; E1271-Q1275 PolarHBondContact OE1-NE2 3.47Å |
| 1272 | L | 59.7 | Low | 57.3 | Low | 58 Ų | 58 | 69.1 Ų | 69.1 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 175.1 | -154.5 | 163 | 0 | 0 | 0 | 110.5 | L1268 S1274 Q1275 L1276 | L1268-L1272 VanDerWaalsContact O-CB 3.3Å; L1268-L1272 WeakPolarHBondContact O-CB 3.38Å; L1268-L1272 PolarHBondContact O-N 2.7Å; L1272-S1274 PolarHBondContact O-N 3.35Å; L1272-Q1275 PolarHBondContact O-N 2.77Å; L1272-L1276 HydrophobicContact CD2-CD1 3.64Å; L1272-L1276 HydrophobicContact CD2-CG 4.02Å; L1272-L1276 WeakPolarHBondContact O-CB 3.34Å; L1272-L1276 WeakPolarHBondContact O-CG 3.09Å; L1272-L1276 PolarHBondContact O-N 3.39Å |
| 1273 | S | 58.3 | Low | 57.2 | Low | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.119 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 169.7 | -168.9 | 0 | 0 | 0 | 0 | 112.9 | M1269 E1271 Q1277 | M1269-S1273 WeakPolarHBondContact O-CB 3.09Å; M1269-S1273 PolarHBondContact O-N 3.17Å; E1271-S1273 VanDerWaalsContact C-N 3.3Å; E1271-S1273 PolarHBondContact O-N 3.12Å; S1273-Q1277 VanDerWaalsContact O-CB 3.3Å; S1273-Q1277 WeakPolarHBondContact O-CB 3.36Å; S1273-Q1277 PolarHBondContact O-N 3.13Å |
| 1274 | S | 66.8 | Low | 57 | Low | 45 Ų | 45 | 70.1 Ų | 70.1 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 175 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | S1270 E1271 L1272 Q1277 Q1278 | S1270-S1274 WeakPolarHBondContact O-CB 3.39Å; S1270-S1274 PolarHBondContact O-N 3.41Å; E1271-S1274 CarbonylContact O-C 3.26Å; E1271-S1274 WeakPolarHBondContact O-CA 3.39Å; E1271-S1274 VanDerWaalsContact O-CB 3.26Å; E1271-S1274 WeakPolarHBondContact O-CB 3.31Å; E1271-S1274 PolarHBondContact O-N 3.46Å; L1272-S1274 PolarHBondContact O-N 3.35Å; S1274-Q1277 WeakPolarHBondContact O-CB 3.31Å; S1274-Q1277 PolarHBondContact O-N 3.26Å; S1274-Q1277 VanDerWaalsContact O-N 3.16Å; S1274-Q1278 VanDerWaalsContact O-CG 3.31Å; S1274-Q1278 WeakPolarHBondContact O-CG 3.21Å; S1274-Q1278 PolarHBondContact O-N 3.05Å; S1274-Q1278 PolarHBondContact OG-NE2 2.84Å; S1274-Q1278 VanDerWaalsContact OG-NE2 3.12Å |
| 1275 | Q | 68.6 | Low | 56.7 | Low | 73 Ų | 73 | 72.5 Ų | 72.5 | 34% | 0.341 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.2 | -67.4 | 176.2 | 13.2 | 0 | 0 | 111.6 | E1271 L1272 Q1278 L1279 | E1271-Q1275 WeakPolarHBondContact O-CG 3.45Å; E1271-Q1275 PolarHBondContact O-N 2.77Å; E1271-Q1275 WeakPolarHBondContact OE1-CG 3.41Å; E1271-Q1275 PolarHBondContact OE1-NE2 3.47Å; L1272-Q1275 PolarHBondContact O-N 2.77Å; Q1275-Q1278 PolarHBondContact O-N 3.3Å; Q1275-L1279 WeakPolarHBondContact O-CB 3.48Å; Q1275-L1279 VanDerWaalsContact O-CG 3.32Å; Q1275-L1279 WeakPolarHBondContact O-CG 3.44Å; Q1275-L1279 PolarHBondContact O-N 3.08Å |
| 1276 | L | 64.8 | Low | 56.1 | Low | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 171.1 | -72.5 | 172.7 | 0 | 0 | 0 | 112.4 | F39 A42 L43 A46 L1272 Q1278 L1279 A1280 F1374 | F39-L1276 HydrophobicContact CE2-CD1 4.09Å; A42-L1276 HydrophobicContact CB-CB 4.27Å; L43-L1276 HydrophobicContact CD2-CD1 4.03Å; A46-L1276 HydrophobicContact CB-CD2 3.98Å; L1272-L1276 HydrophobicContact CD2-CD1 3.64Å; L1272-L1276 HydrophobicContact CD2-CG 4.02Å; L1272-L1276 WeakPolarHBondContact O-CB 3.34Å; L1272-L1276 WeakPolarHBondContact O-CG 3.09Å; L1272-L1276 PolarHBondContact O-N 3.39Å; L1276-Q1278 VanDerWaalsContact C-N 3.34Å; L1276-L1279 PolarHBondContact O-N 2.96Å; L1276-A1280 VanDerWaalsContact O-CB 3.26Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.7Å; L1276-F1374 HydrophobicContact CD2-CD2 4.48Å |
| 1277 | Q | 66.7 | Low | 55.2 | Low | 110 Ų | 110 | 78.3 Ų | 78.3 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175 | -159.7 | 83.5 | 70.1 | 0 | 0 | 111.4 | S1273 S1274 A1281 | S1273-Q1277 VanDerWaalsContact O-CB 3.3Å; S1273-Q1277 WeakPolarHBondContact O-CB 3.36Å; S1273-Q1277 PolarHBondContact O-N 3.13Å; S1274-Q1277 WeakPolarHBondContact O-CB 3.31Å; S1274-Q1277 PolarHBondContact O-N 3.26Å; S1274-Q1277 VanDerWaalsContact O-N 3.16Å; Q1277-A1281 WeakPolarHBondContact O-CB 3.45Å; Q1277-A1281 PolarHBondContact O-N 3.5Å |
| 1278 | Q | 67.8 | Low | 53.8 | Low | 107 Ų | 107 | 82.6 Ų | 82.6 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.6 | -41 | 175.8 | -71 | 173.8 | 59.9 | 0 | 0 | 112.3 | S1274 Q1275 L1276 A1281 R1282 | S1274-Q1278 VanDerWaalsContact O-CG 3.31Å; S1274-Q1278 WeakPolarHBondContact O-CG 3.21Å; S1274-Q1278 PolarHBondContact O-N 3.05Å; S1274-Q1278 PolarHBondContact OG-NE2 2.84Å; S1274-Q1278 VanDerWaalsContact OG-NE2 3.12Å; Q1275-Q1278 PolarHBondContact O-N 3.3Å; L1276-Q1278 VanDerWaalsContact C-N 3.34Å; Q1278-A1281 PolarHBondContact O-N 3.2Å; Q1278-R1282 WeakPolarHBondContact O-CB 3.38Å; Q1278-R1282 VanDerWaalsContact O-CG 3.31Å; Q1278-R1282 WeakPolarHBondContact O-CG 3.27Å; Q1278-R1282 PolarHBondContact O-N 2.73Å |
| 1279 | L | 56.8 | Low | 52.4 | Low | 69 Ų | 69 | 84.1 Ų | 84.1 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 172.9 | -74.7 | 167.2 | 0 | 0 | 0 | 111.1 | Q1275 L1276 R1282 S1283 P1373 | Q1275-L1279 WeakPolarHBondContact O-CB 3.48Å; Q1275-L1279 VanDerWaalsContact O-CG 3.32Å; Q1275-L1279 WeakPolarHBondContact O-CG 3.44Å; Q1275-L1279 PolarHBondContact O-N 3.08Å; L1276-L1279 PolarHBondContact O-N 2.96Å; L1279-R1282 PolarHBondContact O-N 2.95Å; L1279-S1283 VanDerWaalsContact O-CB 3.31Å; L1279-S1283 WeakPolarHBondContact O-CB 3.47Å; L1279-S1283 PolarHBondContact O-N 3.4Å; L1279-P1373 HydrophobicContact CD2-CB 4.42Å |
| 1280 | A | 55.6 | Low | 51.4 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 12% | 0.116 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V45 L1276 S1283 N1284 | V45-A1280 HydrophobicContact CG1-CB 3.91Å; L1276-A1280 VanDerWaalsContact O-CB 3.26Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.7Å; A1280-S1283 PolarHBondContact O-N 2.76Å; A1280-N1284 PolarHBondContact O-N 3.08Å; A1280-N1284 VanDerWaalsContact O-N 3.12Å; A1280-N1284 PolarHBondContact O-ND2 2.93Å |
| 1281 | A | 60.7 | Low | 49.9 | Very low | 49 Ų | 49 | 91.9 Ų | 91.9 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -52.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1277 Q1278 S1283 N1284 D1285 | Q1277-A1281 WeakPolarHBondContact O-CB 3.45Å; Q1277-A1281 PolarHBondContact O-N 3.5Å; Q1278-A1281 PolarHBondContact O-N 3.2Å; A1281-S1283 VanDerWaalsContact C-N 3.26Å; A1281-S1283 PolarHBondContact O-N 3Å; A1281-N1284 WeakPolarHBondContact O-CA 3.45Å; A1281-N1284 WeakPolarHBondContact O-CB 3.36Å; A1281-N1284 PolarHBondContact O-N 3.05Å; A1281-D1285 PolarHBondContact O-N 3.44Å |
| 1282 | R | 50.6 | Low | 48 | Very low | 183 Ų | 183 | 93.2 Ų | 93.2 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -35 | 177.6 | -67 | 174.5 | 81.8 | 169.4 | 4.9 | 112.2 | Q1278 L1279 N1284 D1285 V1286 | Q1278-R1282 WeakPolarHBondContact O-CB 3.38Å; Q1278-R1282 VanDerWaalsContact O-CG 3.31Å; Q1278-R1282 WeakPolarHBondContact O-CG 3.27Å; Q1278-R1282 PolarHBondContact O-N 2.73Å; L1279-R1282 PolarHBondContact O-N 2.95Å; R1282-N1284 VanDerWaalsContact C-N 3.29Å; R1282-N1284 PolarHBondContact O-N 3.18Å; R1282-D1285 PolarHBondContact O-N 3.12Å; R1282-V1286 WeakPolarHBondContact O-CG2 3.45Å; R1282-V1286 PolarHBondContact O-N 2.97Å |
| 1283 | S | 45.7 | Very low | 46.5 | Very low | 67 Ų | 67 | 100.3 Ų | 100.3 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -24.7 | 173.7 | -170.7 | 0 | 0 | 0 | 0 | 113.7 | L1279 A1280 A1281 | L1279-S1283 VanDerWaalsContact O-CB 3.31Å; L1279-S1283 WeakPolarHBondContact O-CB 3.47Å; L1279-S1283 PolarHBondContact O-N 3.4Å; A1280-S1283 PolarHBondContact O-N 2.76Å; A1281-S1283 VanDerWaalsContact C-N 3.26Å; A1281-S1283 PolarHBondContact O-N 3Å |
| 1284 | N | 44.6 | Very low | 45.1 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 54% | 0.535 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.8 | -28.5 | 172.5 | -73.4 | -65.6 | 0 | 0 | 0 | 112 | A1280 A1281 R1282 V1286 N1287 | A1280-N1284 PolarHBondContact O-N 3.08Å; A1280-N1284 VanDerWaalsContact O-N 3.12Å; A1280-N1284 PolarHBondContact O-ND2 2.93Å; A1281-N1284 WeakPolarHBondContact O-CA 3.45Å; A1281-N1284 WeakPolarHBondContact O-CB 3.36Å; A1281-N1284 PolarHBondContact O-N 3.05Å; R1282-N1284 VanDerWaalsContact C-N 3.29Å; R1282-N1284 PolarHBondContact O-N 3.18Å; N1284-V1286 VanDerWaalsContact C-N 3.29Å; N1284-N1287 PolarHBondContact O-N 3.05Å; N1284-N1287 PolarHBondContact O-ND2 3.31Å |
| 1285 | D | 38.8 | Very low | 43.2 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71 | -24 | 170.8 | -66.1 | -43.1 | 0 | 0 | 0 | 112.2 | A1281 R1282 N1287 | A1281-D1285 PolarHBondContact O-N 3.44Å; R1282-D1285 PolarHBondContact O-N 3.12Å; D1285-N1287 PolarHBondContact O-N 3.44Å; D1285-N1287 VanDerWaalsContact O-N 3.11Å |
| 1286 | V | 37.5 | Very low | 41.4 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 39.9 | 163.8 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | R1282 N1284 F1288 | R1282-V1286 WeakPolarHBondContact O-CG2 3.45Å; R1282-V1286 PolarHBondContact O-N 2.97Å; N1284-V1286 VanDerWaalsContact C-N 3.29Å; V1286-F1288 PolarHBondContact O-N 3.26Å |
| 1287 | N | 28.7 | Very low | 39.7 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | trans | -67.1 | 102.2 | 151.5 | -96.7 | -80.9 | 0 | 0 | 0 | 107.3 | N1284 D1285 S1289 | N1284-N1287 PolarHBondContact O-N 3.05Å; N1284-N1287 PolarHBondContact O-ND2 3.31Å; D1285-N1287 PolarHBondContact O-N 3.44Å; D1285-N1287 VanDerWaalsContact O-N 3.11Å; N1287-S1289 PolarHBondContact O-N 3.29Å | ||
| 1288 | F | 29.6 | Very low | 38.1 | Very low | 194 Ų | 194 | 124 Ų | 124 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | trans | -51.5 | 117.2 | 177.1 | -146.5 | -84.4 | 0 | 0 | 0 | 108.6 | V1286 Q1290 | V1286-F1288 PolarHBondContact O-N 3.26Å; F1288-Q1290 PolarHBondContact O-N 2.91Å | ||
| 1289 | S | 26.1 | Very low | 36.4 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | trans | -55 | 116 | -177.5 | -69.8 | 0 | 0 | 0 | 0 | 108.5 | N1287 S1291 | N1287-S1289 PolarHBondContact O-N 3.29Å; S1289-S1291 PolarHBondContact O-N 2.96Å; S1289-S1291 PolarHBondContact O-OG 3.16Å | ||
| 1290 | Q | 28.2 | Very low | 35.3 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | trans | -74.9 | 53.8 | 178.3 | -161 | 173.3 | 69.9 | 0 | 0 | 110.1 | F1288 | F1288-Q1290 PolarHBondContact O-N 2.91Š| ||
| 1291 | S | 25.9 | Very low | 34.1 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 50% | 0.503 | 71% | 0.705 | S | S | . | * | trans | -63.6 | 130.9 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 108.6 | S1289 Y1293 | S1289-S1291 PolarHBondContact O-N 2.96Å; S1289-S1291 PolarHBondContact O-OG 3.16Å; S1291-Y1293 VanDerWaalsContact C-N 3.25Å; S1291-Y1293 PolarHBondContact O-N 2.98Å | ||
| 1292 | T | 27.4 | Very low | 32.8 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -79.7 | 70.8 | -164.2 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | K1294 | T1292-K1294 PolarHBondContact O-N 2.99Š| ||
| 1293 | Y | 27.2 | Very low | 31.9 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | -70.7 | 76.7 | 165.1 | -83.1 | -82.9 | 0 | 0 | 0 | 110.3 | S1291 S1295 | S1291-Y1293 VanDerWaalsContact C-N 3.25Å; S1291-Y1293 PolarHBondContact O-N 2.98Å; Y1293-S1295 VanDerWaalsContact C-N 3.27Å; Y1293-S1295 PolarHBondContact O-N 3.26Å | ||
| 1294 | K | 28.5 | Very low | 31.2 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -71.3 | 85.1 | 164.2 | -71.6 | -176.3 | 175.6 | -179.7 | 0 | 108.6 | T1292 R1296 | T1292-K1294 PolarHBondContact O-N 2.99Å; K1294-R1296 PolarHBondContact O-N 2.85Å | ||
| 1295 | S | 28.1 | Very low | 30.6 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -56.2 | 105.5 | 164.9 | -62.8 | 0 | 0 | 0 | 0 | 108.7 | Y1293 D1297 | Y1293-S1295 VanDerWaalsContact C-N 3.27Å; Y1293-S1295 PolarHBondContact O-N 3.26Å; S1295-D1297 PolarHBondContact O-N 3.11Å | ||
| 1296 | R | 30.3 | Very low | 30.3 | Very low | 204 Ų | 204 | 153.6 Ų | 153.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -96.5 | 83.7 | 177.3 | -100.8 | -177.4 | 163.3 | 156.5 | -7.4 | 108.5 | K1294 I1298 | K1294-R1296 PolarHBondContact O-N 2.85Å; R1296-I1298 HydrophobicContact CB-CD1 4.36Å; R1296-I1298 HydrophobicContact CB-CG1 4.28Å; R1296-I1298 HydrophobicContact CG-CD1 4.08Å; R1296-I1298 HydrophobicContact CG-CG1 4.41Å; R1296-I1298 PolarHBondContact O-N 3.18Å | ||
| 1297 | D | 28.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -71 | 81.6 | 164.7 | -68.5 | -63.7 | 0 | 0 | 0 | 109.6 | S1295 | S1295-D1297 PolarHBondContact O-N 3.11Š| ||
| 1298 | I | 33.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | trans | -111.1 | 71.3 | 172.4 | -53.5 | -179.5 | 0 | 0 | 0 | 108 | R1296 H1300 | R1296-I1298 HydrophobicContact CB-CD1 4.36Å; R1296-I1298 HydrophobicContact CB-CG1 4.28Å; R1296-I1298 HydrophobicContact CG-CD1 4.08Å; R1296-I1298 HydrophobicContact CG-CG1 4.41Å; R1296-I1298 PolarHBondContact O-N 3.18Å; I1298-H1300 PolarHBondContact O-N 3.07Å | ||
| 1299 | F | 30.7 | Very low | 31 | Very low | 194 Ų | 194 | 157 Ų | 157 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -88 | 83.6 | 175.8 | -118.4 | -74.4 | 0 | 0 | 0 | 110.4 | ||||
| 1300 | H | 34.6 | Very low | 31.8 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -155.2 | 115.2 | 157.9 | -111.3 | 36.3 | 0 | 0 | 0 | 114.3 | I1298 | I1298-H1300 PolarHBondContact O-N 3.07Š| ||
| 1301 | K | 31.2 | Very low | 32.8 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 28.6 | 105.1 | 149.2 | -67.7 | 174.9 | 174 | 172.8 | 0 | 118.5 | ||||
| 1302 | E | 33.2 | Very low | 34 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -154.2 | 150 | 103 | -107.7 | -175.7 | 167.2 | 0 | 0 | 110.1 | |||||
| 1303 | P | 30 | Very low | 35.3 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | -91.3 | 145.4 | 173.1 | 35.2 | -30.7 | 0 | 0 | 0 | 111.2 | ||||
| 1304 | I | 32.1 | Very low | 36.6 | Very low | 152 Ų | 152 | 155 Ų | 155 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 116.9 | 137.1 | -93.6 | 151.3 | 0 | 0 | 0 | 110.8 | ||||
| 1305 | K | 32 | Very low | 37.9 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 44.1 | 127.7 | 145.3 | -53.5 | 178.3 | -176.7 | -179.6 | 0 | 121.5 | ||||
| 1306 | H | 31.4 | Very low | 39.2 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | 13.6 | 130.7 | 138.3 | -60.5 | -91.6 | 0 | 0 | 0 | 119.5 | ||||
| 1307 | D | 36.6 | Very low | 39.9 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | -157.1 | 167.7 | 95 | -84.6 | -23.2 | 0 | 0 | 0 | 110 | |||||
| 1308 | D | 36.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -78.1 | 152.5 | -159.6 | -53.2 | -61.6 | 0 | 0 | 0 | 116.4 | ||||
| 1309 | F | 38.9 | Very low | 40.8 | Very low | 214 Ų | 214 | 145.6 Ų | 145.6 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | -161.1 | 109.8 | 140.2 | -114.9 | -72.2 | 0 | 0 | 0 | 110.9 | ||||
| 1310 | D | 43.5 | Very low | 41.1 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 150.1 | -172.9 | -81.5 | -53.8 | 0 | 0 | 0 | 115.4 | ||||
| 1311 | L | 47.6 | Very low | 40.9 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -116.5 | 140.6 | 152.9 | -74 | 173.5 | 0 | 0 | 0 | 108.4 | ||||
| 1312 | P | 52.9 | Low | 41 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68 | 143 | -169.5 | 27 | -35.1 | 0 | 0 | 0 | 112.7 | ||
| 1313 | P | 54.2 | Low | 40.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 155.1 | 177.1 | 30.3 | -35.6 | 0 | 0 | 0 | 111.9 | ||
| 1314 | P | 53.9 | Low | 41.1 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 149.8 | 170.9 | 29 | -35 | 0 | 0 | 0 | 111 | ||
| 1315 | P | 55.7 | Low | 41.2 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.2 | -179.3 | 26.8 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 1316 | P | 56.2 | Low | 41.2 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 54% | 0.539 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 161.7 | -179.6 | 30 | -35.8 | 0 | 0 | 0 | 112.2 | S1318 | P1316-S1318 PolarHBondContact O-N 2.63Š|
| 1317 | P | 43.8 | Very low | 41.2 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -64 | 2.4 | -179 | -23 | 34.8 | 0 | 0 | 0 | 116.3 | M1319 | P1317-M1319 PolarHBondContact O-N 2.81Š|
| 1318 | S | 42 | Very low | 41 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 22 | -169.4 | 63.8 | 0 | 0 | 0 | 0 | 114.8 | P1316 | P1316-S1318 PolarHBondContact O-N 2.63Š|
| 1319 | M | 39.3 | Very low | 40.9 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 11.9 | 174.5 | -65.6 | -129.6 | -58.9 | 0 | 0 | 113.8 | P1317 | P1317-M1319 PolarHBondContact O-N 2.81Š|
| 1320 | F | 38.1 | Very low | 40.5 | Very low | 198 Ų | 198 | 137 Ų | 137 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -121.2 | 40.5 | -179.7 | -87.7 | -76.7 | 0 | 0 | 0 | 113.7 | ||
| 1321 | T | 30.8 | Very low | 40 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -155.2 | 101.8 | 164.7 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1322 | E | 32.8 | Very low | 39.3 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -172.3 | 155.8 | 143.3 | -91.7 | -154.8 | 153.6 | 0 | 0 | 107.4 | ||||
| 1323 | Q | 32 | Very low | 38.2 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -176.9 | 112.8 | -30.7 | -174.9 | 79.7 | -4 | 0 | 0 | 105 | ||||
| 1324 | Y | 33.5 | Very low | 37 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | -142.8 | 104.9 | 169.9 | -111.7 | -82.8 | 0 | 0 | 0 | 113.6 | ||||
| 1325 | C | 33.8 | Very low | 36 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | 52.3 | 94.4 | 152.7 | -60.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1326 | S | 32.4 | Very low | 34.6 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 75.1 | 112 | 115 | -81.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1327 | D | 31.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 69.3 | 111.8 | 123.1 | -55.1 | -51.8 | 0 | 0 | 0 | 120.3 | |||||
| 1328 | V | 32.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | -175.5 | 112.1 | 102.2 | 148 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1329 | V | 33.2 | Very low | 32.1 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 104.4 | 137.8 | 178.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1330 | K | 31.4 | Very low | 31.5 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 151.4 | 130.7 | -66.2 | -178 | -160.2 | 173.7 | 0 | 120.6 | ||||
| 1331 | S | 32.2 | Very low | 31.1 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -165.4 | 150.4 | -3.8 | 37.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1332 | E | 32 | Very low | 31.1 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 74.4 | 114.4 | 140.9 | -74.3 | 170 | -159.1 | 0 | 0 | 123.5 | ||||
| 1333 | C | 29.8 | Very low | 30.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | 76.4 | 104.2 | 123.2 | -70.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1334 | S | 29.7 | Very low | 30.6 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 88.3 | 156.1 | 112.3 | -59.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1335 | P | 33.4 | Very low | 30.3 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -134.6 | -178.8 | -152.4 | 45.1 | -27.7 | 0 | 0 | 0 | 116.5 | ||||
| 1336 | I | 25.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 63.9 | 107.8 | 164.8 | -47.8 | 166.4 | 0 | 0 | 0 | 116.5 | ||||
| 1337 | Q | 31.7 | Very low | 29.7 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | -167.5 | 135 | 119.4 | -106.9 | 173.8 | 41.6 | 0 | 0 | 115.4 | |||||
| 1338 | T | 25.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 129 Ų | 129 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | trans | -42.3 | 142.8 | 167.7 | 49.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1339 | T | 31.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | 163.9 | 123.8 | 106.5 | 38.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 1340 | N | 27.9 | Very low | 29 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 58.3 | 133.8 | 136.7 | -82.6 | -12.6 | 0 | 0 | 0 | 125.1 | ||||
| 1341 | I | 30.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 130 Ų | 130 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | 71.3 | 122.2 | 142.9 | -59.4 | 161.5 | 0 | 0 | 0 | 114.9 | ||||
| 1342 | N | 29.8 | Very low | 29 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | cis | -156.6 | 177.8 | 44.3 | -154.3 | 14.7 | 0 | 0 | 0 | 115.5 | ||||
| 1343 | C | 26.6 | Very low | 29.2 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 146.8 | -176.7 | -58.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1344 | N | 26.8 | Very low | 29.4 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 70.5 | 144.4 | 132.5 | -62.3 | 4.7 | 0 | 0 | 0 | 123.4 | ||||
| 1345 | S | 28.3 | Very low | 29.6 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 90.4 | 92.9 | 147.2 | -65.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1346 | T | 26 | Very low | 29.8 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 75.1 | 137.8 | 123.1 | -32.9 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1347 | T | 27.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | 70.4 | 104.9 | 158.6 | 25 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1348 | S | 24.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | 41.6 | 124.4 | 127.1 | 63.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 1349 | I | 30.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -152.5 | 149.3 | 130.4 | -105.1 | 151.2 | 0 | 0 | 0 | 109.1 | ||||
| 1350 | I | 27.6 | Very low | 30.5 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | trans | -89.3 | 138.7 | -177.7 | -61.8 | 160.8 | 0 | 0 | 0 | 109.8 | ||||
| 1351 | V | 33.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | -134 | 135 | 152.3 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1352 | N | 29.8 | Very low | 30.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -137.2 | 125.6 | -179.5 | 176.9 | 94.9 | 0 | 0 | 0 | 108.3 | ||||
| 1353 | D | 37.1 | Very low | 30.8 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -131.3 | 144.1 | 169.8 | -92 | -52.2 | 0 | 0 | 0 | 109 | ||||
| 1354 | N | 33.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 45% | 0.449 | 78% | 0.775 | S | S | . | * | trans | -122.8 | 163.5 | -152.2 | -137.2 | 10.7 | 0 | 0 | 0 | 112.5 | N488 | N488-N1354 PolarHBondContact OD1-ND2 2.67Š| ||
| 1355 | N | 34.7 | Very low | 32 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | trans | 70.7 | 138.5 | 167.1 | -52.8 | -26.4 | 0 | 0 | 0 | 116.5 | ||||
| 1356 | N | 36.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | cis | -139.7 | 160.8 | 32.1 | -78.5 | -79.3 | 0 | 0 | 0 | 114.2 | ||||
| 1357 | N | 32.2 | Very low | 34.1 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -71.8 | 144.1 | 176.1 | -62.9 | -32.9 | 0 | 0 | 0 | 113.3 | ||||
| 1358 | N | 34.2 | Very low | 35 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -145.6 | 141.2 | 137.8 | -109.5 | -13.8 | 0 | 0 | 0 | 108.5 | ||||
| 1359 | T | 29 | Very low | 36.1 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -85.7 | 137.2 | -178.7 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1360 | D | 33.3 | Very low | 37.1 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | -150.9 | 146.5 | 148.8 | -94.6 | -43.4 | 0 | 0 | 0 | 109.1 | ||||
| 1361 | E | 28.6 | Very low | 38.6 | Very low | 196 Ų | 196 | 126.1 Ų | 126.1 | 92% | 0.916 | 69% | 0.691 | S | S | * | * | trans | -83.2 | 132.2 | -178.9 | -63.9 | -174.4 | 143 | 0 | 0 | 111.5 | ||||
| 1362 | V | 35.1 | Very low | 39.8 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 79% | 0.788 | 66% | 0.657 | S | S | * | * | trans | -132.5 | 134.3 | 165 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1363 | S | 32.3 | Very low | 41 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | trans | -106.5 | 110.9 | -172.6 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1364 | D | 36.7 | Very low | 41.8 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | -93 | 108.2 | 175.5 | -72.4 | -50 | 0 | 0 | 0 | 112.4 | ||||
| 1365 | D | 41.6 | Very low | 43.1 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 66% | 0.663 | 61% | 0.608 | S | S | * | * | trans | -139.5 | 22.2 | 169.8 | -149.6 | -0.2 | 0 | 0 | 0 | 112.8 | S1367 N1368 | D1365-S1367 VanDerWaalsContact C-N 3.27Å; D1365-S1367 PolarHBondContact O-N 3.15Å; D1365-N1368 PolarHBondContact O-ND2 2.96Å; D1365-N1368 PolarHBondContact OD1-ND2 3.24Å | ||
| 1366 | D | 45.2 | Very low | 44.5 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -74.7 | -14.4 | -168.7 | -131.2 | 46.5 | 0 | 0 | 0 | 113.9 | N1368 K1369 | D1366-N1368 PolarHBondContact O-N 3.2Å; D1366-N1368 VanDerWaalsContact O-N 3.12Å; D1366-K1369 VanDerWaalsContact CG-CE 3.48Å; D1366-K1369 WeakPolarHBondContact OD1-CE 3.04Å; D1366-K1369 IonicContact OD1-NZ 2.67Å; D1366-K1369 PolarHBondContact OD1-NZ 3.12Å; D1366-K1369 WeakPolarHBondContact OD2-CE 3.18Å; D1366-K1369 IonicContact OD2-NZ 2.63Å; D1366-K1369 PolarHBondContact OD2-NZ 3.24Å |
| 1367 | S | 51.9 | Low | 45.8 | Very low | 90 Ų | 90 | 101.6 Ų | 101.6 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -61.2 | -19 | -179.9 | 68.4 | 0 | 0 | 0 | 0 | 115 | D1365 K1369 | D1365-S1367 VanDerWaalsContact C-N 3.27Å; D1365-S1367 PolarHBondContact O-N 3.15Å; S1367-K1369 VanDerWaalsContact C-N 3.34Å; S1367-K1369 PolarHBondContact O-N 3.45Å |
| 1368 | N | 47.6 | Very low | 47.1 | Very low | 35 Ų | 35 | 96.4 Ų | 96.4 | 19% | 0.187 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -80.6 | -9.6 | -172.1 | -64.8 | -69.9 | 0 | 0 | 0 | 114.6 | D1365 D1366 N1370 L1371 L1376 K1379 | D1365-N1368 PolarHBondContact O-ND2 2.96Å; D1365-N1368 PolarHBondContact OD1-ND2 3.24Å; D1366-N1368 PolarHBondContact O-N 3.2Å; D1366-N1368 VanDerWaalsContact O-N 3.12Å; N1368-N1370 PolarHBondContact O-N 2.83Å; N1368-N1370 VanDerWaalsContact O-N 3.15Å; N1368-L1371 PolarHBondContact O-N 3.16Å; N1368-L1376 HydrophobicContact CB-CD2 4.2Å; N1368-K1379 PolarHBondContact OD1-NZ 2.98Å |
| 1369 | K | 46.9 | Very low | 48.5 | Very low | 147 Ų | 147 | 93 Ų | 93 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -63.4 | -20.6 | -172.8 | -68.8 | 174.5 | -178.2 | 170.3 | 0 | 115 | D1366 S1367 | D1366-K1369 VanDerWaalsContact CG-CE 3.48Å; D1366-K1369 WeakPolarHBondContact OD1-CE 3.04Å; D1366-K1369 IonicContact OD1-NZ 2.67Å; D1366-K1369 PolarHBondContact OD1-NZ 3.12Å; D1366-K1369 WeakPolarHBondContact OD2-CE 3.18Å; D1366-K1369 IonicContact OD2-NZ 2.63Å; D1366-K1369 PolarHBondContact OD2-NZ 3.24Å; S1367-K1369 VanDerWaalsContact C-N 3.34Å; S1367-K1369 PolarHBondContact O-N 3.45Å |
| 1370 | N | 52.8 | Low | 50.3 | Low | 135 Ų | 135 | 92.8 Ų | 92.8 | 72% | 0.722 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -103.7 | -1.2 | -174.1 | -67.5 | -28.4 | 0 | 0 | 0 | 114.8 | N1368 | N1368-N1370 PolarHBondContact O-N 2.83Å; N1368-N1370 VanDerWaalsContact O-N 3.15Å |
| 1371 | L | 58.7 | Low | 51.6 | Low | 31 Ų | 31 | 87.2 Ų | 87.2 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -81.3 | 143.9 | 177.3 | -86.5 | 67.3 | 0 | 0 | 0 | 111 | N1368 L1375 L1376 K1379 | N1368-L1371 PolarHBondContact O-N 3.16Å; L1371-L1375 HydrophobicContact CB-CB 4.34Å; L1371-L1375 HydrophobicContact CD2-CB 4.31Å; L1371-L1375 HydrophobicContact CG-CB 4.39Å; L1371-L1376 HydrophobicContact CB-CD1 4.25Å; L1371-L1376 HydrophobicContact CB-CD2 4.42Å; L1371-L1376 HydrophobicContact CB-CG 3.82Å; L1371-K1379 HydrophobicContact CD2-CD 3.77Å |
| 1372 | S | 58.7 | Low | 53.2 | Low | 10 Ų | 10 | 82 Ų | 82 | 7% | 0.07 | 46% | 0.455 | C | S | . | . | trans | -63.6 | 149.1 | 170.1 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | F1374 L1375 L1376 | S1372-F1374 PolarHBondContact O-N 2.98Å; S1372-F1374 VanDerWaalsContact O-N 3.07Å; S1372-L1375 PolarHBondContact O-N 3.35Å; S1372-L1375 PolarHBondContact OG-N 2.81Å; S1372-L1376 PolarHBondContact O-N 3.5Å | ||
| 1373 | P | 54.5 | Low | 54.9 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.1 | -28.4 | 177.8 | -28.5 | 36.1 | 0 | 0 | 0 | 113.9 | L1279 A1377 | L1279-P1373 HydrophobicContact CD2-CB 4.42Å; P1373-A1377 WeakPolarHBondContact O-CB 3.5Å; P1373-A1377 PolarHBondContact O-N 2.79Å |
| 1374 | F | 54.3 | Low | 56.5 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 28% | 0.276 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -48.8 | 172 | 177.8 | -103.8 | 0 | 0 | 0 | 112 | V92 L1276 S1372 L1376 A1377 L1378 | V92-F1374 HydrophobicContact CG2-CZ 4.13Å; L1276-F1374 HydrophobicContact CD2-CD2 4.48Å; S1372-F1374 PolarHBondContact O-N 2.98Å; S1372-F1374 VanDerWaalsContact O-N 3.07Å; F1374-L1376 VanDerWaalsContact C-N 3.31Å; F1374-L1376 PolarHBondContact O-N 3.2Å; F1374-A1377 PolarHBondContact O-N 3.3Å; F1374-L1378 HydrophobicContact CE1-CD1 3.84Å; F1374-L1378 HydrophobicContact CZ-CD1 3.93Å; F1374-L1378 WeakPolarHBondContact O-CB 3.4Å; F1374-L1378 PolarHBondContact O-N 3.47Å |
| 1375 | L | 60.5 | Low | 57.5 | Low | 18 Ų | 18 | 81.8 Ų | 81.8 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 175.7 | -77.4 | 166.3 | 0 | 0 | 0 | 112.4 | Y81 L88 M246 L1371 S1372 L1378 K1379 | Y81-L1375 VanDerWaalsContact OH-CD1 3.31Å; Y81-L1375 WeakPolarHBondContact OH-CD1 3.26Å; L88-L1375 HydrophobicContact CD2-CD2 4.36Å; M246-L1375 HydrophobicContact CE-CD1 3.86Å; L1371-L1375 HydrophobicContact CB-CB 4.34Å; L1371-L1375 HydrophobicContact CD2-CB 4.31Å; L1371-L1375 HydrophobicContact CG-CB 4.39Å; S1372-L1375 PolarHBondContact O-N 3.35Å; S1372-L1375 PolarHBondContact OG-N 2.81Å; L1375-L1378 PolarHBondContact O-N 3.49Å; L1375-K1379 WeakPolarHBondContact O-CB 3.47Å; L1375-K1379 PolarHBondContact O-N 2.78Å |
| 1376 | L | 64.8 | Low | 58.3 | Low | 47 Ų | 47 | 78.1 Ų | 78.1 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 172 | -83.8 | 159.3 | 0 | 0 | 0 | 111.7 | N1368 L1371 S1372 F1374 L1378 K1379 Q1380 | N1368-L1376 HydrophobicContact CB-CD2 4.2Å; L1371-L1376 HydrophobicContact CB-CD1 4.25Å; L1371-L1376 HydrophobicContact CB-CD2 4.42Å; L1371-L1376 HydrophobicContact CB-CG 3.82Å; S1372-L1376 PolarHBondContact O-N 3.5Å; F1374-L1376 VanDerWaalsContact C-N 3.31Å; F1374-L1376 PolarHBondContact O-N 3.2Å; L1376-L1378 VanDerWaalsContact C-N 3.31Å; L1376-L1378 PolarHBondContact O-N 2.88Å; L1376-K1379 PolarHBondContact O-N 3.18Å; L1376-Q1380 VanDerWaalsContact O-CB 3.32Å; L1376-Q1380 WeakPolarHBondContact O-CB 3.31Å; L1376-Q1380 VanDerWaalsContact O-CG 3.25Å; L1376-Q1380 WeakPolarHBondContact O-CG 3.38Å; L1376-Q1380 PolarHBondContact O-N 3.03Å |
| 1377 | A | 62.3 | Low | 59.4 | Low | 24 Ų | 24 | 77.1 Ų | 77.1 | 20% | 0.198 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1373 F1374 S1381 | P1373-A1377 WeakPolarHBondContact O-CB 3.5Å; P1373-A1377 PolarHBondContact O-N 2.79Å; F1374-A1377 PolarHBondContact O-N 3.3Å; A1377-S1381 VanDerWaalsContact O-CB 3.31Å; A1377-S1381 WeakPolarHBondContact O-CB 3.47Å; A1377-S1381 PolarHBondContact O-N 3.09Å |
| 1378 | L | 59.8 | Low | 60 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 177.3 | -138 | 167.6 | 0 | 0 | 0 | 111.4 | I243 F1374 L1375 L1376 Q1380 S1381 V1382 | I243-L1378 HydrophobicContact CD1-CD2 4.31Å; F1374-L1378 HydrophobicContact CE1-CD1 3.84Å; F1374-L1378 HydrophobicContact CZ-CD1 3.93Å; F1374-L1378 WeakPolarHBondContact O-CB 3.4Å; F1374-L1378 PolarHBondContact O-N 3.47Å; L1375-L1378 PolarHBondContact O-N 3.49Å; L1376-L1378 VanDerWaalsContact C-N 3.31Å; L1376-L1378 PolarHBondContact O-N 2.88Å; L1378-Q1380 VanDerWaalsContact C-N 3.34Å; L1378-Q1380 PolarHBondContact O-N 3.45Å; L1378-S1381 PolarHBondContact O-N 2.85Å; L1378-V1382 HydrophobicContact CD2-CG2 4.05Å; L1378-V1382 WeakPolarHBondContact O-CG2 3.29Å; L1378-V1382 PolarHBondContact O-N 3.33Å |
| 1379 | K | 64 | Low | 60.7 | Low | 98 Ų | 98 | 80.6 Ų | 80.6 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.1 | -174.8 | -179.4 | 178.7 | -172.7 | 0 | 111.4 | N1368 L1371 L1375 L1376 K1383 | N1368-K1379 PolarHBondContact OD1-NZ 2.98Å; L1371-K1379 HydrophobicContact CD2-CD 3.77Å; L1375-K1379 WeakPolarHBondContact O-CB 3.47Å; L1375-K1379 PolarHBondContact O-N 2.78Å; L1376-K1379 PolarHBondContact O-N 3.18Å; K1379-K1383 VanDerWaalsContact O-CB 3.31Å; K1379-K1383 WeakPolarHBondContact O-CB 3.38Å; K1379-K1383 PolarHBondContact O-N 3.24Å |
| 1380 | Q | 66.8 | Low | 61.5 | Low | 125 Ų | 125 | 76.5 Ų | 76.5 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 174.7 | -75.6 | 173.6 | -11.8 | 0 | 0 | 112.3 | L1376 L1378 K1383 Q1384 | L1376-Q1380 VanDerWaalsContact O-CB 3.32Å; L1376-Q1380 WeakPolarHBondContact O-CB 3.31Å; L1376-Q1380 VanDerWaalsContact O-CG 3.25Å; L1376-Q1380 WeakPolarHBondContact O-CG 3.38Å; L1376-Q1380 PolarHBondContact O-N 3.03Å; L1378-Q1380 VanDerWaalsContact C-N 3.34Å; L1378-Q1380 PolarHBondContact O-N 3.45Å; Q1380-K1383 PolarHBondContact O-N 3.49Å; Q1380-Q1384 VanDerWaalsContact O-CB 3.27Å; Q1380-Q1384 WeakPolarHBondContact O-CB 3.31Å; Q1380-Q1384 PolarHBondContact O-N 2.9Å |
| 1381 | S | 59.7 | Low | 62.1 | Low | 46 Ų | 46 | 72.8 Ų | 72.8 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | A1377 L1378 R1385 | A1377-S1381 VanDerWaalsContact O-CB 3.31Å; A1377-S1381 WeakPolarHBondContact O-CB 3.47Å; A1377-S1381 PolarHBondContact O-N 3.09Å; L1378-S1381 PolarHBondContact O-N 2.85Å; S1381-R1385 WeakPolarHBondContact O-CB 3.26Å; S1381-R1385 PolarHBondContact O-N 3.1Å; S1381-R1385 VanDerWaalsContact O-N 3.12Å |
| 1382 | V | 63.2 | Low | 61.8 | Low | 86 Ų | 86 | 72.9 Ų | 72.9 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L1378 R1385 A1386 | L1378-V1382 HydrophobicContact CD2-CG2 4.05Å; L1378-V1382 WeakPolarHBondContact O-CG2 3.29Å; L1378-V1382 PolarHBondContact O-N 3.33Å; V1382-R1385 WeakPolarHBondContact O-CB 3.4Å; V1382-R1385 PolarHBondContact O-N 3.04Å; V1382-A1386 PolarHBondContact O-N 2.83Å |
| 1383 | K | 69.8 | Low | 61.3 | Low | 133 Ų | 133 | 77.6 Ų | 77.6 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -48.5 | 177.3 | -179.3 | 170.9 | 178.9 | 177.3 | 0 | 111.7 | K1379 Q1380 R1385 A1386 D1387 | K1379-K1383 VanDerWaalsContact O-CB 3.31Å; K1379-K1383 WeakPolarHBondContact O-CB 3.38Å; K1379-K1383 PolarHBondContact O-N 3.24Å; Q1380-K1383 PolarHBondContact O-N 3.49Å; K1383-R1385 PolarHBondContact O-N 3.42Å; K1383-A1386 WeakPolarHBondContact O-CB 3.12Å; K1383-A1386 PolarHBondContact O-N 2.87Å; K1383-D1387 WeakPolarHBondContact CG-OD2 3.28Å; K1383-D1387 PolarHBondContact O-N 3.4Å |
| 1384 | Q | 66.7 | Low | 60.9 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -30.6 | 177.8 | -174.3 | 175.9 | 68.1 | 0 | 0 | 112.5 | Q1380 R1388 | Q1380-Q1384 VanDerWaalsContact O-CB 3.27Å; Q1380-Q1384 WeakPolarHBondContact O-CB 3.31Å; Q1380-Q1384 PolarHBondContact O-N 2.9Å; Q1384-R1388 WeakPolarHBondContact O-CB 3.39Å; Q1384-R1388 VanDerWaalsContact O-CG 3.3Å; Q1384-R1388 WeakPolarHBondContact O-CG 3.5Å; Q1384-R1388 PolarHBondContact O-N 2.95Å; Q1384-R1388 VanDerWaalsContact O-N 3.14Å |
| 1385 | R | 57.8 | Low | 60.5 | Low | 168 Ų | 168 | 78.6 Ų | 78.6 | 63% | 0.634 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.3 | -41.9 | 173 | -164.8 | 178.9 | -167.9 | 176.7 | 4.9 | 112.1 | S1381 V1382 K1383 L1389 | S1381-R1385 WeakPolarHBondContact O-CB 3.26Å; S1381-R1385 PolarHBondContact O-N 3.1Å; S1381-R1385 VanDerWaalsContact O-N 3.12Å; V1382-R1385 WeakPolarHBondContact O-CB 3.4Å; V1382-R1385 PolarHBondContact O-N 3.04Å; K1383-R1385 PolarHBondContact O-N 3.42Å; R1385-L1389 HydrophobicContact CG-CD1 4.36Å; R1385-L1389 VanDerWaalsContact O-CG 3.31Å; R1385-L1389 WeakPolarHBondContact O-CG 3.36Å; R1385-L1389 PolarHBondContact O-N 3.49Å; R1385-L1389 VanDerWaalsContact O-N 3.12Å |
| 1386 | A | 57.9 | Low | 59.9 | Low | 46 Ų | 46 | 83.7 Ų | 83.7 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1382 K1383 R1388 L1389 A1390 | V1382-A1386 PolarHBondContact O-N 2.83Å; K1383-A1386 WeakPolarHBondContact O-CB 3.12Å; K1383-A1386 PolarHBondContact O-N 2.87Å; A1386-R1388 VanDerWaalsContact C-N 3.32Å; A1386-R1388 PolarHBondContact O-N 3.48Å; A1386-L1389 PolarHBondContact O-N 3.17Å; A1386-L1389 VanDerWaalsContact O-N 3.12Å; A1386-A1390 PolarHBondContact O-N 3.43Å |
| 1387 | D | 68.7 | Low | 58.8 | Low | 88 Ų | 88 | 88.3 Ų | 88.3 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 179 | -62.5 | -19.4 | 0 | 0 | 0 | 111.6 | K1383 A1391 | K1383-D1387 WeakPolarHBondContact CG-OD2 3.28Å; K1383-D1387 PolarHBondContact O-N 3.4Å; D1387-A1391 WeakPolarHBondContact O-CB 3.16Å; D1387-A1391 PolarHBondContact O-N 3.4Å |
| 1388 | R | 64.2 | Low | 57.5 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 175 | -78.7 | -177.2 | -175.9 | -152.8 | 0.2 | 113.3 | E1264 Q1384 A1386 A1391 G1392 | E1264-R1388 IonicContact OE1-CZ 2.63Å; E1264-R1388 IonicContact OE1-NH1 2.66Å; E1264-R1388 PolarHBondContact OE1-NH1 3Å; Q1384-R1388 WeakPolarHBondContact O-CB 3.39Å; Q1384-R1388 VanDerWaalsContact O-CG 3.3Å; Q1384-R1388 WeakPolarHBondContact O-CG 3.5Å; Q1384-R1388 PolarHBondContact O-N 2.95Å; Q1384-R1388 VanDerWaalsContact O-N 3.14Å; A1386-R1388 VanDerWaalsContact C-N 3.32Å; A1386-R1388 PolarHBondContact O-N 3.48Å; R1388-A1391 PolarHBondContact O-N 2.71Å; R1388-G1392 PolarHBondContact O-N 2.8Å |
| 1389 | L | 62.9 | Low | 56.2 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 37% | 0.366 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.7 | -37.7 | 177.6 | -72.6 | 169 | 0 | 0 | 0 | 111.5 | I475 R1385 A1386 N1393 | I475-L1389 HydrophobicContact CD1-CD1 4.11Å; I475-L1389 HydrophobicContact CG1-CD1 4.21Å; I475-L1389 HydrophobicContact CG2-CD1 4.41Å; R1385-L1389 HydrophobicContact CG-CD1 4.36Å; R1385-L1389 VanDerWaalsContact O-CG 3.31Å; R1385-L1389 WeakPolarHBondContact O-CG 3.36Å; R1385-L1389 PolarHBondContact O-N 3.49Å; R1385-L1389 VanDerWaalsContact O-N 3.12Å; A1386-L1389 PolarHBondContact O-N 3.17Å; A1386-L1389 VanDerWaalsContact O-N 3.12Å; L1389-N1393 PolarHBondContact O-N 2.99Å; L1389-N1393 VanDerWaalsContact O-N 3.12Å |
| 1390 | A | 63.2 | Low | 55.8 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -45.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1386 N1393 S1394 | A1386-A1390 PolarHBondContact O-N 3.43Å; A1390-N1393 PolarHBondContact O-N 3.45Å; A1390-S1394 WeakPolarHBondContact O-CB 3.42Å; A1390-S1394 PolarHBondContact O-N 3.22Å |
| 1391 | A | 66.2 | Low | 55.3 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.4 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1387 R1388 N1393 S1394 T1395 | D1387-A1391 WeakPolarHBondContact O-CB 3.16Å; D1387-A1391 PolarHBondContact O-N 3.4Å; R1388-A1391 PolarHBondContact O-N 2.71Å; A1391-N1393 VanDerWaalsContact C-N 3.35Å; A1391-N1393 PolarHBondContact O-N 3.11Å; A1391-S1394 WeakPolarHBondContact O-CB 3.42Å; A1391-S1394 PolarHBondContact O-N 2.83Å; A1391-S1394 VanDerWaalsContact O-N 3.11Å; A1391-T1395 PolarHBondContact O-N 3.01Å; A1391-T1395 PolarHBondContact O-OG1 3.49Å |
| 1392 | G | 51.4 | Low | 55 | Low | 32 Ų | 32 | 107.8 Ų | 107.8 | 33% | 0.33 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.8 | -33.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1388 T1395 N1396 | R1388-G1392 PolarHBondContact O-N 2.8Å; G1392-T1395 PolarHBondContact O-OG1 3.41Å; G1392-N1396 PolarHBondContact O-N 2.94Å; G1392-N1396 PolarHBondContact O-ND2 3.02Å |
| 1393 | N | 49.2 | Very low | 54.5 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.1 | -27.4 | 172.6 | -75.9 | -16 | 0 | 0 | 0 | 112.8 | L1389 A1390 A1391 N1397 | L1389-N1393 PolarHBondContact O-N 2.99Å; L1389-N1393 VanDerWaalsContact O-N 3.12Å; A1390-N1393 PolarHBondContact O-N 3.45Å; A1391-N1393 VanDerWaalsContact C-N 3.35Å; A1391-N1393 PolarHBondContact O-N 3.11Å; N1393-N1397 PolarHBondContact O-ND2 3.33Å; N1393-N1397 VanDerWaalsContact O-ND2 3.14Å |
| 1394 | S | 44.6 | Very low | 53.6 | Low | 81 Ų | 81 | 107.6 Ų | 107.6 | 57% | 0.566 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.9 | -38.2 | 176.7 | -166.1 | 0 | 0 | 0 | 0 | 112.1 | A1390 A1391 N1396 N1397 | A1390-S1394 WeakPolarHBondContact O-CB 3.42Å; A1390-S1394 PolarHBondContact O-N 3.22Å; A1391-S1394 WeakPolarHBondContact O-CB 3.42Å; A1391-S1394 PolarHBondContact O-N 2.83Å; A1391-S1394 VanDerWaalsContact O-N 3.11Å; S1394-N1396 PolarHBondContact O-N 2.86Å; S1394-N1397 PolarHBondContact O-N 2.88Å |
| 1395 | T | 47.9 | Very low | 52.7 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -34.9 | 174.3 | 46.4 | 0 | 0 | 0 | 0 | 113 | A1391 G1392 N1397 R1398 | A1391-T1395 PolarHBondContact O-N 3.01Å; A1391-T1395 PolarHBondContact O-OG1 3.49Å; G1392-T1395 PolarHBondContact O-OG1 3.41Å; T1395-N1397 PolarHBondContact O-N 3.47Å; T1395-R1398 PolarHBondContact O-N 2.87Å |
| 1396 | N | 46.1 | Very low | 52.3 | Low | 124 Ų | 124 | 104.1 Ų | 104.1 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 1.1 | -179.3 | -71.5 | -16 | 0 | 0 | 0 | 114.7 | G1392 S1394 | G1392-N1396 PolarHBondContact O-N 2.94Å; G1392-N1396 PolarHBondContact O-ND2 3.02Å; S1394-N1396 PolarHBondContact O-N 2.86Å |
| 1397 | N | 43.1 | Very low | 51.9 | Low | 145 Ų | 145 | 108.5 Ų | 108.5 | 78% | 0.775 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 21.6 | 170.1 | -74.1 | -68.6 | 0 | 0 | 0 | 112 | N1393 S1394 T1395 | N1393-N1397 PolarHBondContact O-ND2 3.33Å; N1393-N1397 VanDerWaalsContact O-ND2 3.14Å; S1394-N1397 PolarHBondContact O-N 2.88Å; T1395-N1397 PolarHBondContact O-N 3.47Å |
| 1398 | R | 34.6 | Very low | 50.5 | Low | 225 Ų | 225 | 110.3 Ų | 110.3 | 85% | 0.849 | 62% | 0.615 | S | S | * | * | trans | -144.2 | 34.2 | -174.7 | -126.3 | 179.1 | -171.9 | -169 | 2.6 | 115.7 | T1395 | T1395-R1398 PolarHBondContact O-N 2.87Š| ||
| 1399 | T | 33 | Very low | 49.3 | Very low | 202 Ų | 202 | 108.6 Ų | 108.6 | 100% | 1.239 | 63% | 0.627 | S | S | * | * | trans | -147.5 | 0 | 163.1 | 30 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 1,399 of 1,399 residues in 1548.6 ms
(Link to these results)