| 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 | 40 | Very low | 66.7 | Low | 170 Ų | 170 | 60.9 Ų | 60.9 | 84% | 0.837 | 36% | 0.359 | S | S | * | . | 0 | 121.4 | 0 | -90.7 | -174.8 | 173.1 | 0 | 0 | 105 | S3 D832 | M1-S3 PolarHBondContact O-N 3.36Å; M1-D832 PolarHBondContact N-OD2 3.32Å | |||
| 2 | V | 48.9 | Very low | 68.3 | Low | 26 Ų | 26 | 61.6 Ų | 61.6 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | trans | -47 | 130.7 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | S4 A7 D832 W836 | V2-S4 PolarHBondContact O-N 3.1Å; V2-S4 VanDerWaalsContact O-N 3.09Å; V2-A7 HydrophobicContact CG1-CB 3.82Å; V2-D832 HydrophobicContact CG2-CB 3.74Å; V2-W836 HydrophobicContact CB-CZ2 4.46Å; V2-W836 HydrophobicContact CG1-CH2 4.13Å; V2-W836 HydrophobicContact CG1-CZ2 3.26Å; V2-W836 HydrophobicContact CG2-CZ2 4.44Å | ||
| 3 | S | 57.3 | Low | 69.7 | Low | 37 Ų | 37 | 57.2 Ų | 57.2 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | trans | -52.7 | 125.1 | 174.1 | 62 | 0 | 0 | 0 | 0 | 107.5 | M1 T5 G6 A7 | M1-S3 PolarHBondContact O-N 3.36Å; S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 PolarHBondContact OG-OG1 3.21Å; S3-G6 PolarHBondContact O-N 2.97Å; S3-G6 PolarHBondContact OG-N 3.26Å; S3-A7 PolarHBondContact O-N 2.91Å; S3-A7 VanDerWaalsContact O-N 3.16Å | ||
| 4 | S | 63.5 | Low | 70.9 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 69% | 0.685 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -49.6 | -33.4 | -179.2 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | V2 L8 | V2-S4 PolarHBondContact O-N 3.1Å; V2-S4 VanDerWaalsContact O-N 3.09Å; S4-L8 VanDerWaalsContact O-CB 3.28Å; S4-L8 WeakPolarHBondContact O-CB 2.83Å; S4-L8 PolarHBondContact O-N 3.03Å |
| 5 | T | 66.9 | Low | 72.2 | Confident | 67 Ų | 67 | 57.7 Ų | 57.7 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | S3 A7 L8 L9 | S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 PolarHBondContact OG-OG1 3.21Å; T5-A7 PolarHBondContact O-N 2.93Å; T5-L8 PolarHBondContact O-N 3.45Å; T5-L9 WeakPolarHBondContact O-CB 3.02Å; T5-L9 PolarHBondContact O-N 2.95Å |
| 6 | G | 69.3 | Low | 73.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S3 G10 | S3-G6 PolarHBondContact O-N 2.97Å; S3-G6 PolarHBondContact OG-N 3.26Å; G6-G10 PolarHBondContact O-N 3.28Å |
| 7 | A | 70.4 | Confident | 74.3 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2 S3 T5 G10 L11 | V2-A7 HydrophobicContact CG1-CB 3.82Å; S3-A7 PolarHBondContact O-N 2.91Å; S3-A7 VanDerWaalsContact O-N 3.16Å; T5-A7 PolarHBondContact O-N 2.93Å; A7-G10 PolarHBondContact O-N 3.35Å; A7-L11 PolarHBondContact O-N 3.08Å |
| 8 | L | 76 | Confident | 75 | Confident | 109 Ų | 109 | 51.5 Ų | 51.5 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 177.1 | -178.4 | 66 | 0 | 0 | 0 | 111.6 | S4 T5 G10 L11 V12 | S4-L8 VanDerWaalsContact O-CB 3.28Å; S4-L8 WeakPolarHBondContact O-CB 2.83Å; S4-L8 PolarHBondContact O-N 3.03Å; T5-L8 PolarHBondContact O-N 3.45Å; L8-G10 VanDerWaalsContact C-N 3.34Å; L8-L11 WeakPolarHBondContact O-CB 3.46Å; L8-L11 PolarHBondContact O-N 2.85Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.24Å |
| 9 | L | 78.6 | Confident | 75.8 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.6 | 178.3 | 70 | 0 | 0 | 0 | 111.3 | T5 L11 V12 V13 W462 L476 L478 | T5-L9 WeakPolarHBondContact O-CB 3.02Å; T5-L9 PolarHBondContact O-N 2.95Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.27Å; L9-V12 PolarHBondContact O-N 3.27Å; L9-V13 HydrophobicContact CD1-CG2 4.21Å; L9-V13 HydrophobicContact CG-CG2 4.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.43Å; L9-W462 HydrophobicContact CD2-CZ3 3.82Å; L9-W462 HydrophobicContact CG-CZ3 3.94Å; L9-L476 HydrophobicContact CD2-CD2 3.56Å; L9-L478 HydrophobicContact CB-CD1 4.27Å; L9-L478 HydrophobicContact CD1-CD1 4.09Å; L9-L478 HydrophobicContact CD1-CD2 3.88Å; L9-L478 HydrophobicContact CD2-CD1 4.05Å; L9-L478 HydrophobicContact CD2-CD2 3.49Å; L9-L478 VanDerWaalsContact CD2-CD2 3.49Å; L9-L478 HydrophobicContact CD2-CG 4.21Å; L9-L478 HydrophobicContact CG-CD1 4.37Å; L9-L478 HydrophobicContact CG-CD2 4.28Å |
| 10 | G | 79.7 | Confident | 76.6 | Confident | 7 Ų | 7 | 52 Ų | 52 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.6 | -50 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G6 A7 L8 V12 V13 H14 W462 | G6-G10 PolarHBondContact O-N 3.28Å; A7-G10 PolarHBondContact O-N 3.35Å; L8-G10 VanDerWaalsContact C-N 3.34Å; G10-V12 PolarHBondContact O-N 2.82Å; G10-V13 PolarHBondContact O-N 2.82Å; G10-H14 PolarHBondContact O-N 3.24Å; G10-H14 PolarHBondContact O-ND1 3.1Å; G10-W462 VanDerWaalsContact CA-CZ2 3.43Å |
| 11 | L | 82.8 | Confident | 77.2 | Confident | 92 Ų | 92 | 49.6 Ų | 49.6 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 176.2 | -177.1 | 66.7 | 0 | 0 | 0 | 112.3 | A7 L8 L9 H14 L15 | A7-L11 PolarHBondContact O-N 3.08Å; L8-L11 WeakPolarHBondContact O-CB 3.46Å; L8-L11 PolarHBondContact O-N 2.85Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.27Å; L11-H14 PolarHBondContact O-N 3.03Å; L11-L15 HydrophobicContact CD1-CD1 4.38Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.33Å |
| 12 | V | 86.4 | Confident | 79.6 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 42% | 0.418 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L8 L9 G10 H14 L15 I16 | L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.27Å; G10-V12 PolarHBondContact O-N 2.82Å; V12-H14 VanDerWaalsContact C-N 3.33Å; V12-H14 PolarHBondContact O-N 2.82Å; V12-L15 PolarHBondContact O-N 2.91Å; V12-I16 HydrophobicContact CG1-CD1 3.83Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.16Å |
| 13 | V | 86.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | L9 G10 I16 L17 W462 M513 L517 | L9-V13 HydrophobicContact CD1-CG2 4.21Å; L9-V13 HydrophobicContact CG-CG2 4.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.43Å; G10-V13 PolarHBondContact O-N 2.82Å; V13-I16 PolarHBondContact O-N 2.94Å; V13-L17 HydrophobicContact CG1-CD1 3.66Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 3.47Å; V13-W462 HydrophobicContact CB-CE3 4.43Å; V13-W462 HydrophobicContact CG1-CB 4.37Å; V13-W462 HydrophobicContact CG1-CD2 4.17Å; V13-W462 HydrophobicContact CG1-CE3 4.32Å; V13-W462 HydrophobicContact CG1-CG 4.17Å; V13-W462 HydrophobicContact CG2-CE3 4.14Å; V13-W462 HydrophobicContact CG2-CZ3 4.38Å; V13-M513 HydrophobicContact CG1-CE 4.36Å; V13-L517 HydrophobicContact CG1-CD1 4.26Å; V13-L517 HydrophobicContact CG2-CD1 4.36Å; V13-L517 HydrophobicContact CG2-CD2 4.03Å |
| 14 | H | 86.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 179.6 | -71.4 | 65.7 | 0 | 0 | 0 | 111.9 | G10 L11 V12 I16 L17 L18 W462 D843 M891 | G10-H14 PolarHBondContact O-N 3.24Å; G10-H14 PolarHBondContact O-ND1 3.1Å; L11-H14 PolarHBondContact O-N 3.03Å; V12-H14 VanDerWaalsContact C-N 3.33Å; V12-H14 PolarHBondContact O-N 2.82Å; H14-I16 VanDerWaalsContact C-N 3.35Å; H14-I16 PolarHBondContact O-N 3.38Å; H14-L17 PolarHBondContact O-N 3.01Å; H14-L18 WeakPolarHBondContact O-CB 3.44Å; H14-L18 PolarHBondContact O-N 3.06Å; H14-W462 AromaticContact CE1-CE2 3.86Å; H14-W462 AromaticContact CE1-NE1 3.38Å; H14-W462 PolarHBondContact CE1-NE1 3.07Å; H14-D843 IonicContact CD2-OD1 3.17Å; H14-D843 IonicContact CE1-OD1 3.97Å; H14-D843 IonicContact CE1-OD2 2.72Å; H14-D843 IonicContact NE2-OD1 3.49Å; H14-D843 PolarHBondContact NE2-OD1 3.24Å; H14-D843 VanDerWaalsContact NE2-OD1 3.08Å; H14-D843 IonicContact NE2-OD2 3.55Å; H14-M891 HydrophobicContact CB-CE 4.06Å; H14-M891 VanDerWaalsContact CD2-CE 3.49Å; H14-M891 WeakPolarHBondContact CD2-CE 3.22Å |
| 15 | L | 89.3 | Confident | 84.3 | Confident | 97 Ų | 97 | 37.7 Ų | 37.7 | 51% | 0.508 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.2 | -73.6 | 172.7 | 0 | 0 | 0 | 111.9 | L11 V12 Y19 | L11-L15 HydrophobicContact CD1-CD1 4.38Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.06Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.33Å; V12-L15 PolarHBondContact O-N 2.91Å; L15-Y19 WeakPolarHBondContact O-CB 3.29Å; L15-Y19 PolarHBondContact O-N 2.65Å |
| 16 | I | 91.1 | Very high | 85.4 | Confident | 30 Ų | 30 | 34.5 Ų | 34.5 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.9 | -66.2 | 166.7 | 0 | 0 | 0 | 110.3 | V12 V13 H14 L18 Y19 A20 L509 Y510 M513 | V12-I16 HydrophobicContact CG1-CD1 3.83Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.16Å; V13-I16 PolarHBondContact O-N 2.94Å; H14-I16 VanDerWaalsContact C-N 3.35Å; H14-I16 PolarHBondContact O-N 3.38Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 2.8Å; I16-Y19 PolarHBondContact O-N 3.48Å; I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 3.32Å; I16-L509 HydrophobicContact CD1-CD1 4.27Å; I16-L509 HydrophobicContact CD1-CD2 3.86Å; I16-L509 HydrophobicContact CD1-CG 4.26Å; I16-L509 HydrophobicContact CG1-CD2 3.86Å; I16-L509 HydrophobicContact CG2-CD2 3.84Å; I16-L509 HydrophobicContact CG2-CG 4.09Å; I16-Y510 HydrophobicContact CG2-CD1 3.9Å; I16-Y510 HydrophobicContact CG2-CE1 3.93Å; I16-M513 HydrophobicContact CB-SD 4.14Å; I16-M513 HydrophobicContact CD1-SD 4.09Å; I16-M513 HydrophobicContact CG2-CE 4.5Å; I16-M513 HydrophobicContact CG2-SD 3.73Å |
| 17 | L | 88.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | -179.7 | -69.2 | 169.7 | 0 | 0 | 0 | 112.1 | V13 H14 A20 I455 F459 M513 Y887 M891 | V13-L17 HydrophobicContact CG1-CD1 3.66Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.45Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 3.47Å; H14-L17 PolarHBondContact O-N 3.01Å; L17-A20 PolarHBondContact O-N 3.01Å; L17-I455 HydrophobicContact CD2-CG2 3.97Å; L17-F459 HydrophobicContact CB-CE2 4.36Å; L17-F459 HydrophobicContact CB-CZ 4.07Å; L17-F459 HydrophobicContact CD1-CD1 3.75Å; L17-F459 HydrophobicContact CD1-CD2 4.21Å; L17-F459 HydrophobicContact CD1-CE1 3.62Å; L17-F459 HydrophobicContact CD1-CE2 4.07Å; L17-F459 HydrophobicContact CD1-CG 4.04Å; L17-F459 HydrophobicContact CD1-CZ 3.77Å; L17-F459 HydrophobicContact CD2-CD2 4.15Å; L17-F459 HydrophobicContact CD2-CE2 4.03Å; L17-F459 HydrophobicContact CD2-CZ 4.46Å; L17-F459 HydrophobicContact CG-CE2 4.39Å; L17-F459 HydrophobicContact CG-CZ 4.32Å; L17-M513 HydrophobicContact CD1-CE 4.31Å; L17-M513 HydrophobicContact CD2-CE 3.54Å; L17-M513 HydrophobicContact CG-CE 3.82Å; L17-Y887 PolarHBondContact O-OH 2.95Å; L17-M891 HydrophobicContact CB-CE 4.23Å |
| 18 | L | 88.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.5 | -167.5 | 83.6 | 0 | 0 | 0 | 111.3 | H14 I16 F22 Y887 F888 M891 | H14-L18 WeakPolarHBondContact O-CB 3.44Å; H14-L18 PolarHBondContact O-N 3.06Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 2.8Å; L18-F22 WeakPolarHBondContact O-CD2 3.25Å; L18-Y887 HydrophobicContact CD1-CE1 4.2Å; L18-F888 HydrophobicContact CD1-CD1 3.85Å; L18-F888 HydrophobicContact CD1-CD2 3.94Å; L18-F888 HydrophobicContact CD1-CE1 3.75Å; L18-F888 HydrophobicContact CD1-CE2 3.83Å; L18-F888 HydrophobicContact CD1-CG 3.95Å; L18-F888 HydrophobicContact CD1-CZ 3.73Å; L18-F888 HydrophobicContact CD2-CD1 4.35Å; L18-F888 HydrophobicContact CD2-CE1 3.64Å; L18-F888 HydrophobicContact CD2-CZ 3.85Å; L18-F888 HydrophobicContact CG-CD1 4.47Å; L18-F888 HydrophobicContact CG-CE1 3.88Å; L18-F888 HydrophobicContact CG-CE2 4.11Å; L18-F888 HydrophobicContact CG-CZ 3.67Å; L18-M891 HydrophobicContact CD1-CB 4.13Å |
| 19 | Y | 90.5 | Very high | 88.1 | Confident | 113 Ų | 113 | 33 Ų | 33 | 44% | 0.443 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.4 | -34.9 | 178.8 | -173 | -96.3 | 0 | 0 | 0 | 112.2 | L15 I16 V21 F22 T506 Y510 | L15-Y19 WeakPolarHBondContact O-CB 3.29Å; L15-Y19 PolarHBondContact O-N 2.65Å; I16-Y19 PolarHBondContact O-N 3.48Å; Y19-V21 PolarHBondContact O-N 3.28Å; Y19-F22 PolarHBondContact O-N 2.9Å; Y19-T506 HydrophobicContact CE1-CG2 4.07Å; Y19-Y510 WeakPolarHBondContact CD1-OH 3.26Å |
| 20 | A | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -34.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I16 L17 F22 D23 V24 I455 Y510 | I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 3.32Å; L17-A20 PolarHBondContact O-N 3.01Å; A20-F22 VanDerWaalsContact C-N 3.27Å; A20-F22 PolarHBondContact O-N 3.22Å; A20-D23 PolarHBondContact O-N 3.42Å; A20-V24 VanDerWaalsContact O-CG2 3.25Å; A20-V24 WeakPolarHBondContact O-CG2 3.25Å; A20-V24 PolarHBondContact O-N 3.38Å; A20-V24 VanDerWaalsContact O-N 3.12Å; A20-I455 HydrophobicContact CB-CD1 3.73Å; A20-I455 HydrophobicContact CB-CG1 4.03Å; A20-Y510 VanDerWaalsContact CA-CZ 3.49Å; A20-Y510 HydrophobicContact CB-CD1 3.74Å; A20-Y510 HydrophobicContact CB-CD2 4.23Å; A20-Y510 HydrophobicContact CB-CE1 3.48Å; A20-Y510 VanDerWaalsContact CB-CE1 3.48Å; A20-Y510 HydrophobicContact CB-CE2 4.01Å; A20-Y510 HydrophobicContact CB-CG 4.13Å |
| 21 | V | 88.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -38.8 | 176.2 | 160.7 | 0 | 0 | 0 | 0 | 112 | Y19 V24 Y25 Y26 L868 L871 Y887 | Y19-V21 PolarHBondContact O-N 3.28Å; V21-V24 PolarHBondContact O-N 3.38Å; V21-Y25 HydrophobicContact CG1-CD2 4.42Å; V21-Y25 WeakPolarHBondContact O-CB 3.22Å; V21-Y25 PolarHBondContact O-N 3.05Å; V21-Y26 HydrophobicContact CG1-CD2 4.19Å; V21-Y26 HydrophobicContact CG1-CE2 3.71Å; V21-L868 HydrophobicContact CG2-CD1 3.71Å; V21-L871 HydrophobicContact CB-CD1 4.14Å; V21-L871 HydrophobicContact CG1-CD1 3.36Å; V21-L871 HydrophobicContact CG1-CD2 3.98Å; V21-L871 HydrophobicContact CG1-CG 4.31Å; V21-L871 HydrophobicContact CG2-CD1 3.68Å; V21-Y887 HydrophobicContact CB-CE1 4.17Å; V21-Y887 HydrophobicContact CG2-CD1 4.16Å; V21-Y887 HydrophobicContact CG2-CE1 3.51Å; V21-Y887 HydrophobicContact CG2-CE2 4.22Å |
| 22 | F | 89.6 | Confident | 89.6 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.127 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | 179.9 | -64.9 | -88.4 | 0 | 0 | 0 | 113.1 | L18 Y19 A20 V24 Y26 S27 V113 M114 F888 | L18-F22 WeakPolarHBondContact O-CD2 3.25Å; Y19-F22 PolarHBondContact O-N 2.9Å; A20-F22 VanDerWaalsContact C-N 3.27Å; A20-F22 PolarHBondContact O-N 3.22Å; F22-V24 VanDerWaalsContact C-N 3.25Å; F22-V24 PolarHBondContact O-N 3.08Å; F22-Y26 HydrophobicContact CB-CD2 4.46Å; F22-Y26 AromaticContact CD1-CD2 3.67Å; F22-Y26 HydrophobicContact CD1-CD2 3.67Å; F22-Y26 HydrophobicContact CD1-CG 4.31Å; F22-Y26 HydrophobicContact CE1-CD2 4.18Å; F22-Y26 HydrophobicContact CG-CD2 4.21Å; F22-Y26 CarbonylContact O-C 3.58Å; F22-Y26 VanDerWaalsContact O-CA 3.27Å; F22-Y26 WeakPolarHBondContact O-CA 3.21Å; F22-Y26 PolarHBondContact O-N 2.84Å; F22-S27 PolarHBondContact O-N 3.26Å; F22-V113 HydrophobicContact CD1-CG1 4.05Å; F22-V113 HydrophobicContact CE1-CG1 4.08Å; F22-M114 HydrophobicContact CB-CE 3.42Å; F22-M114 VanDerWaalsContact CB-CE 3.42Å; F22-M114 HydrophobicContact CD1-CE 4.27Å; F22-M114 HydrophobicContact CD1-CG 4.32Å; F22-M114 HydrophobicContact CG-CE 4.11Å; F22-F888 AromaticContact CE2-CE2 3.65Å; F22-F888 HydrophobicContact CE2-CE2 3.65Å; F22-F888 AromaticContact CE2-CZ 3.48Å; F22-F888 HydrophobicContact CE2-CZ 3.48Å; F22-F888 VanDerWaalsContact CE2-CZ 3.48Å; F22-F888 AromaticContact CZ-CE2 3.55Å; F22-F888 HydrophobicContact CZ-CE2 3.55Å; F22-F888 AromaticContact CZ-CZ 3.46Å; F22-F888 HydrophobicContact CZ-CZ 3.46Å; F22-F888 VanDerWaalsContact CZ-CZ 3.46Å |
| 23 | D | 90.2 | Very high | 89.7 | Confident | 29 Ų | 29 | 34 Ų | 34 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -33.7 | 175.1 | -88.5 | -3.4 | 0 | 0 | 0 | 112 | A20 T506 F507 Y510 | A20-D23 PolarHBondContact O-N 3.42Å; D23-T506 WeakPolarHBondContact OD2-CB 3.48Å; D23-T506 PolarHBondContact OD2-OG1 2.78Å; D23-F507 HydrophobicContact CB-CE1 3.9Å; D23-Y510 HydrophobicContact CB-CE2 3.92Å; D23-Y510 WeakPolarHBondContact OD2-CE2 3.36Å; D23-Y510 PolarHBondContact OD2-OH 2.89Å |
| 24 | V | 90.4 | Very high | 90 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -88.3 | -38.5 | -174.2 | 176 | 0 | 0 | 0 | 0 | 113.5 | A20 V21 F22 R448 L451 I455 | A20-V24 VanDerWaalsContact O-CG2 3.25Å; A20-V24 WeakPolarHBondContact O-CG2 3.25Å; A20-V24 PolarHBondContact O-N 3.38Å; A20-V24 VanDerWaalsContact O-N 3.12Å; V21-V24 PolarHBondContact O-N 3.38Å; F22-V24 VanDerWaalsContact C-N 3.25Å; F22-V24 PolarHBondContact O-N 3.08Å; V24-R448 HydrophobicContact CG1-CB 4.35Å; V24-R448 HydrophobicContact CG1-CG 3.77Å; V24-R448 PolarHBondContact O-NE 3.44Å; V24-R448 PolarHBondContact O-NH2 3.41Å; V24-L451 HydrophobicContact CG2-CB 3.51Å; V24-L451 HydrophobicContact CG2-CD1 3.75Å; V24-L451 HydrophobicContact CG2-CG 4.29Å; V24-I455 HydrophobicContact CG2-CD1 3.99Å |
| 25 | Y | 89.4 | Confident | 90.1 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -109.6 | -28.6 | -173.6 | -72 | -96.2 | 0 | 0 | 0 | 113.6 | V21 L868 L871 D873 | V21-Y25 HydrophobicContact CG1-CD2 4.42Å; V21-Y25 WeakPolarHBondContact O-CB 3.22Å; V21-Y25 PolarHBondContact O-N 3.05Å; Y25-L868 HydrophobicContact CE2-CD1 4.47Å; Y25-L868 PolarHBondContact OH-O 3.2Å; Y25-L871 HydrophobicContact CD1-CB 3.93Å; Y25-L871 HydrophobicContact CD2-CD1 3.86Å; Y25-L871 HydrophobicContact CE1-CB 3.9Å; Y25-L871 HydrophobicContact CE2-CD1 3.86Å; Y25-L871 HydrophobicContact CG-CB 4.25Å; Y25-L871 HydrophobicContact CG-CD1 4.3Å; Y25-D873 WeakPolarHBondContact O-CB 3.42Å |
| 26 | Y | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -119.1 | 22.5 | -167.6 | -53.2 | -52.8 | 0 | 0 | 0 | 113.5 | V21 F22 V110 S111 V113 L871 K872 I880 I884 | V21-Y26 HydrophobicContact CG1-CD2 4.19Å; V21-Y26 HydrophobicContact CG1-CE2 3.71Å; F22-Y26 HydrophobicContact CB-CD2 4.46Å; F22-Y26 AromaticContact CD1-CD2 3.67Å; F22-Y26 HydrophobicContact CD1-CD2 3.67Å; F22-Y26 HydrophobicContact CD1-CG 4.31Å; F22-Y26 HydrophobicContact CE1-CD2 4.18Å; F22-Y26 HydrophobicContact CG-CD2 4.21Å; F22-Y26 CarbonylContact O-C 3.58Å; F22-Y26 VanDerWaalsContact O-CA 3.27Å; F22-Y26 WeakPolarHBondContact O-CA 3.21Å; F22-Y26 PolarHBondContact O-N 2.84Å; Y26-V110 HydrophobicContact CD1-CG2 3.52Å; Y26-V110 HydrophobicContact CE1-CG2 4.05Å; Y26-S111 WeakPolarHBondContact O-CA 3.34Å; Y26-S111 WeakPolarHBondContact O-CB 3.38Å; Y26-V113 HydrophobicContact CG-CG1 4.17Å; Y26-L871 HydrophobicContact CE2-CD2 4.4Å; Y26-L871 WeakPolarHBondContact OH-CD2 3.31Å; Y26-K872 WeakPolarHBondContact CE1-O 3.43Å; Y26-K872 PolarHBondContact OH-O 2.87Å; Y26-I880 HydrophobicContact CE1-CG2 3.75Å; Y26-I884 HydrophobicContact CD2-CD1 4.23Å; Y26-I884 HydrophobicContact CE1-CD1 4.02Å; Y26-I884 HydrophobicContact CE1-CG1 4.38Å; Y26-I884 HydrophobicContact CE2-CD1 3.59Å; Y26-I884 HydrophobicContact CE2-CG1 3.53Å; Y26-I884 VanDerWaalsContact CZ-CD1 3.47Å; Y26-I884 VanDerWaalsContact CZ-CG1 3.42Å; Y26-I884 WeakPolarHBondContact OH-CG1 3.24Å |
| 27 | S | 90.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.7 | 149 | 168.3 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | F22 H444 | F22-S27 PolarHBondContact O-N 3.26Å; S27-H444 PolarHBondContact O-CE1 2.86Å; S27-H444 VanDerWaalsContact O-CE1 3.24Å; S27-H444 PolarHBondContact OG-CE1 3.01Å; S27-H444 VanDerWaalsContact OG-CE1 3.25Å |
| 28 | S | 91.4 | Very high | 90.2 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | trans | -65.5 | 132.3 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 112 | L30 D109 H444 | S28-L30 VanDerWaalsContact C-N 3.26Å; S28-L30 WeakPolarHBondContact OG-CB 3.21Å; S28-L30 PolarHBondContact OG-N 3.25Å; S28-L30 VanDerWaalsContact OG-N 3.12Å; S28-D109 WeakPolarHBondContact CA-OD1 3.19Å; S28-D109 WeakPolarHBondContact CB-OD2 3.47Å; S28-D109 PolarHBondContact OG-OD2 3.18Å; S28-H444 PolarHBondContact O-CE1 3.34Å | ||
| 29 | P | 90.2 | Very high | 90 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 34% | 0.338 | 24% | 0.235 | S | C | . | . | trans | -79 | -10 | 170.2 | 33.3 | -34.4 | 0 | 0 | 0 | 112.8 | D109 | P29-D109 WeakPolarHBondContact CD-OD1 3.33Š| ||
| 30 | L | 91.7 | Very high | 89.6 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | trans | -77 | 134.7 | -175.3 | -58.5 | 175.2 | 0 | 0 | 0 | 111 | S28 F106 D109 V122 F124 N347 | S28-L30 VanDerWaalsContact C-N 3.26Å; S28-L30 WeakPolarHBondContact OG-CB 3.21Å; S28-L30 PolarHBondContact OG-N 3.25Å; S28-L30 VanDerWaalsContact OG-N 3.12Å; L30-F106 HydrophobicContact CD1-CE2 3.8Å; L30-F106 HydrophobicContact CD1-CZ 3.86Å; L30-F106 HydrophobicContact CD2-CD1 4.32Å; L30-F106 HydrophobicContact CD2-CD2 3.76Å; L30-F106 HydrophobicContact CD2-CE1 4.21Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CD2-CG 4.13Å; L30-F106 HydrophobicContact CD2-CZ 3.96Å; L30-F106 HydrophobicContact CG-CE2 4.26Å; L30-D109 HydrophobicContact CD1-CB 4.2Å; L30-V122 HydrophobicContact CB-CG1 4.14Å; L30-V122 HydrophobicContact CD1-CB 4.36Å; L30-V122 HydrophobicContact CD1-CG1 4.44Å; L30-F124 HydrophobicContact CD1-CB 4.1Å; L30-N347 HydrophobicContact CD2-CB 3.95Å | ||
| 31 | V | 90.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | trans | -119.9 | 163.4 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 110.5 | M34 N347 V381 Q382 | V31-M34 HydrophobicContact CG2-CE 4.15Å; V31-M34 HydrophobicContact CG2-CG 4.41Å; V31-M34 HydrophobicContact CG2-SD 3.68Å; V31-M34 WeakPolarHBondContact O-CE 3.29Å; V31-N347 PolarHBondContact O-ND2 3.15Å; V31-V381 HydrophobicContact CB-CG1 4.38Å; V31-V381 HydrophobicContact CG2-CG1 4.31Å; V31-Q382 HydrophobicContact CB-CG 4.41Å; V31-Q382 HydrophobicContact CG1-CG 3.53Å; V31-Q382 HydrophobicContact CG2-CG 4.07Å | ||
| 32 | H | 91 | Very high | 89.2 | Confident | 109 Ų | 109 | 48 Ų | 48 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | trans | -124.8 | 169.8 | 178.9 | -52.3 | 79.9 | 0 | 0 | 0 | 109.7 | V122 E123 | H32-V122 WeakPolarHBondContact CE1-CG1 3.27Å; H32-E123 PolarHBondContact NE2-O 2.72Å; H32-E123 VanDerWaalsContact NE2-O 3.1Å | ||
| 33 | G | 87.7 | Confident | 89.4 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 78% | 0.784 | 30% | 0.295 | S | S | * | . | trans | 84.1 | 10.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 34 | M | 92.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 144.4 | 173.2 | -60.5 | 156.7 | -65 | 0 | 0 | 110.2 | V31 P36 A346 E377 Q378 V381 | V31-M34 HydrophobicContact CG2-CE 4.15Å; V31-M34 HydrophobicContact CG2-CG 4.41Å; V31-M34 HydrophobicContact CG2-SD 3.68Å; V31-M34 WeakPolarHBondContact O-CE 3.29Å; M34-P36 WeakPolarHBondContact O-CD 3.21Å; M34-A346 HydrophobicContact CB-CB 4.48Å; M34-A346 HydrophobicContact CE-CB 3.84Å; M34-A346 VanDerWaalsContact SD-O 3.38Å; M34-E377 HydrophobicContact CB-CG 3.88Å; M34-E377 HydrophobicContact CG-CG 4.24Å; M34-Q378 HydrophobicContact CG-CG 4.45Å; M34-Q378 HydrophobicContact SD-CB 4.1Å; M34-Q378 HydrophobicContact SD-CG 3.15Å; M34-Q378 WeakPolarHBondContact SD-CG 3.34Å; M34-V381 HydrophobicContact CG-CB 4.19Å; M34-V381 HydrophobicContact CG-CG1 4.47Å; M34-V381 HydrophobicContact CG-CG2 3.8Å |
| 35 | R | 90.2 | Very high | 90 | Very high | 179 Ų | 179 | 47.6 Ų | 47.6 | 68% | 0.675 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 127.8 | 169.9 | -175.4 | 178.5 | 178.4 | 176.1 | 2 | 110.3 | H37 Q374 E377 | R35-H37 PolarHBondContact O-CD2 2.82Å; R35-H37 PolarHBondContact O-N 3.06Å; R35-Q374 PolarHBondContact O-OE1 2.91Å; R35-E377 PolarHBondContact N-OE1 3.1Å |
| 36 | P | 90.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 130.8 | 170.9 | -21.2 | 33.1 | 0 | 0 | 0 | 111.4 | M34 A343 | M34-P36 WeakPolarHBondContact O-CD 3.21Å; P36-A343 HydrophobicContact CB-CB 3.87Å |
| 37 | H | 92 | Very high | 90.7 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -106.6 | 119.2 | 176.8 | -73.6 | -80.4 | 0 | 0 | 0 | 110.6 | R35 F344 K373 Q374 | R35-H37 PolarHBondContact O-CD2 2.82Å; R35-H37 PolarHBondContact O-N 3.06Å; H37-F344 VanDerWaalsContact O-CD2 3.29Å; H37-F344 WeakPolarHBondContact O-CD2 3.45Å; H37-F344 PolarHBondContact O-N 3.42Å; H37-K373 HydrophobicContact CB-CB 4.39Å; H37-Q374 HydrophobicContact CB-CB 4.3Å | ||
| 38 | G | 87 | Confident | 91.1 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | trans | -109.7 | 159.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 39 | A | 84 | Confident | 91.4 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | trans | -81.6 | 135.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A41 L367 A370 | A39-A41 HydrophobicContact CB-CB 4.18Å; A39-A41 PolarHBondContact O-N 2.62Å; A39-L367 HydrophobicContact CB-CD2 3.53Å; A39-L367 HydrophobicContact CB-CG 4.05Å; A39-A370 HydrophobicContact CB-CB 4Å | ||
| 40 | N | 83.5 | Confident | 91.8 | Very high | 153 Ų | 153 | 43 Ų | 43 | 82% | 0.818 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -77.7 | 54.4 | 166.7 | -72.6 | -7.5 | 0 | 0 | 0 | 110.5 | ||
| 41 | A | 83.5 | Confident | 92.1 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -123.1 | 144.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A39 N363 L366 | A39-A41 HydrophobicContact CB-CB 4.18Å; A39-A41 PolarHBondContact O-N 2.62Å; A41-N363 HydrophobicContact CB-CB 4.27Å; A41-L366 HydrophobicContact CB-CB 4.47Å; A41-L366 HydrophobicContact CB-CD1 4.45Å |
| 42 | A | 88.7 | Confident | 92.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 63% | 0.628 | 25% | 0.253 | S | S | * | . | trans | -63.3 | 124.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 43 | P | 93.9 | Very high | 92.8 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | trans | -71.5 | 137.2 | -177.7 | 29.5 | -34.5 | 0 | 0 | 0 | 110.5 | A45 R272 I340 | P43-A45 VanDerWaalsContact C-N 3.25Å; P43-A45 PolarHBondContact O-N 2.96Å; P43-R272 PolarHBondContact O-NH2 2.92Å; P43-I340 VanDerWaalsContact CB-C 3.4Å; P43-I340 WeakPolarHBondContact CB-O 3.44Å | ||
| 44 | P | 95.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -73.8 | -14.6 | 179.3 | 33 | -39.1 | 0 | 0 | 0 | 113.6 | R272 S306 G307 L339 V359 | P44-R272 VanDerWaalsContact C-NH1 3.27Å; P44-R272 PolarHBondContact O-NH1 2.73Å; P44-S306 WeakPolarHBondContact O-CB 3.38Å; P44-S306 PolarHBondContact O-OG 3.48Å; P44-G307 VanDerWaalsContact CB-CA 3.44Å; P44-L339 WeakPolarHBondContact CD-O 3.47Å; P44-L339 HydrophobicContact CG-CD2 4.37Å; P44-L339 WeakPolarHBondContact CG-O 3.38Å; P44-V359 HydrophobicContact CB-CG1 3.88Å; P44-V359 HydrophobicContact CG-CG1 3.88Å |
| 45 | A | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -130.5 | 158.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | P43 A274 L339 I340 | P43-A45 VanDerWaalsContact C-N 3.25Å; P43-A45 PolarHBondContact O-N 2.96Å; A45-A274 HydrophobicContact CB-CB 3.9Å; A45-L339 WeakPolarHBondContact CB-O 3.12Å; A45-L339 PolarHBondContact N-O 3.42Å; A45-I340 HydrophobicContact CB-CG2 4.28Å; A45-I340 WeakPolarHBondContact O-CA 3.17Å | ||
| 46 | D | 97.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 19% | 0.193 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -101.2 | -25.2 | 171.8 | -62.4 | -37.8 | 0 | 0 | 0 | 111.9 | N221 K222 I223 R272 | D46-N221 CarbonylContact O-C 3.47Å; D46-K222 PolarHBondContact O-N 3.46Å; D46-I223 PolarHBondContact O-N 2.59Å; D46-I223 VanDerWaalsContact O-N 3.09Å; D46-R272 HydrophobicContact CB-CB 4.24Å; D46-R272 PolarHBondContact N-O 3.17Å; D46-R272 IonicContact OD1-CZ 2.74Å; D46-R272 IonicContact OD1-NE 2.69Å; D46-R272 IonicContact OD1-NH2 2.71Å; D46-R272 PolarHBondContact OD1-NH2 2.73Å; D46-R272 WeakPolarHBondContact OD2-CB 3.49Å; D46-R272 WeakPolarHBondContact OD2-CG 3.34Å; D46-R272 IonicContact OD2-CZ 2.91Å; D46-R272 IonicContact OD2-NE 3.65Å; D46-R272 PolarHBondContact OD2-NE 2.66Å; D46-R272 IonicContact OD2-NH2 3.99Å; D46-R272 PolarHBondContact OD2-NH2 2.93Å |
| 47 | R | 97.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.8 | -177.6 | -61.2 | 161.8 | -56.4 | -87.2 | -4 | 111 | I223 F268 D270 R272 T273 A274 | R47-I223 CarbonylContact C-O 3.55Å; R47-I223 VanDerWaalsContact CA-O 3.31Å; R47-I223 WeakPolarHBondContact CA-O 3.48Å; R47-I223 HydrophobicContact CB-CB 4.3Å; R47-I223 HydrophobicContact CG-CB 3.72Å; R47-I223 HydrophobicContact CG-CG1 4.26Å; R47-I223 HydrophobicContact CG-CG2 4.03Å; R47-F268 VanDerWaalsContact CD-CZ 3.44Å; R47-D270 IonicContact CZ-OD1 3.93Å; R47-D270 IonicContact CZ-OD2 2.7Å; R47-D270 VanDerWaalsContact CZ-OD2 3.25Å; R47-D270 IonicContact NH1-OD1 2.82Å; R47-D270 IonicContact NH1-OD2 3.35Å; R47-D270 PolarHBondContact NH1-OD2 2.95Å; R47-D270 IonicContact NH2-OD1 3.91Å; R47-D270 PolarHBondContact NH2-OD1 3.45Å; R47-D270 IonicContact NH2-OD2 3.08Å; R47-D270 PolarHBondContact NH2-OD2 3.45Å; R47-R272 PolarHBondContact N-O 2.96Å; R47-R272 PolarHBondContact NH2-O 3.08Å; R47-T273 HydrophobicContact CB-CG2 4.29Å; R47-T273 PolarHBondContact NE-OG1 3.4Å; R47-T273 VanDerWaalsContact NE-OG1 3.15Å; R47-T273 PolarHBondContact NH2-OG1 3.45Å; R47-A274 PolarHBondContact O-N 3.17Å |
| 48 | L | 98.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137 | 171.1 | -177.5 | 79 | 0 | 0 | 0 | 110.2 | F127 I223 A224 F225 A274 I276 M336 L339 I340 | L48-F127 HydrophobicContact CB-CZ 4.34Å; L48-F127 HydrophobicContact CD2-CE1 3.62Å; L48-F127 HydrophobicContact CD2-CE2 4.39Å; L48-F127 HydrophobicContact CD2-CZ 3.45Å; L48-F127 VanDerWaalsContact CD2-CZ 3.45Å; L48-I223 PolarHBondContact N-O 3.08Å; L48-A224 CarbonylContact O-C 3.57Å; L48-A224 WeakPolarHBondContact O-CA 3.42Å; L48-F225 PolarHBondContact O-N 2.79Å; L48-A274 CarbonylContact C-O 3.11Å; L48-A274 WeakPolarHBondContact CA-O 3.44Å; L48-A274 HydrophobicContact CD1-CB 3.89Å; L48-I276 HydrophobicContact CD1-CD1 4.04Å; L48-I276 HydrophobicContact CD1-CG1 4.1Å; L48-M336 HydrophobicContact CD2-CB 3.58Å; L48-M336 HydrophobicContact CD2-CG 3.38Å; L48-M336 HydrophobicContact CD2-SD 3.49Å; L48-M336 WeakPolarHBondContact CD2-SD 3.28Å; L48-L339 HydrophobicContact CD1-CD1 3.99Å; L48-I340 HydrophobicContact CB-CG2 3.8Å |
| 49 | V | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.3 | 169.3 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | F51 F225 L227 I264 T273 A274 Y275 I276 | V49-F51 HydrophobicContact CB-CE2 4.27Å; V49-F51 HydrophobicContact CG1-CD2 4.13Å; V49-F51 HydrophobicContact CG1-CE1 4.39Å; V49-F51 HydrophobicContact CG1-CE2 3.44Å; V49-F51 VanDerWaalsContact CG1-CE2 3.44Å; V49-F51 HydrophobicContact CG1-CZ 3.59Å; V49-F225 WeakPolarHBondContact CA-O 3.34Å; V49-F225 HydrophobicContact CG1-CB 4.23Å; V49-F225 HydrophobicContact CG2-CB 4.31Å; V49-F225 HydrophobicContact CG2-CD2 4.05Å; V49-L227 HydrophobicContact CG1-CD1 3.83Å; V49-I264 HydrophobicContact CG1-CD1 4.4Å; V49-I264 HydrophobicContact CG2-CD1 4.08Å; V49-T273 HydrophobicContact CG2-CG2 3.78Å; V49-A274 PolarHBondContact N-O 2.91Å; V49-Y275 HydrophobicContact CB-CD1 3.72Å; V49-Y275 HydrophobicContact CB-CE1 4.04Å; V49-Y275 HydrophobicContact CG1-CD1 4.35Å; V49-Y275 HydrophobicContact CG2-CD1 3.95Å; V49-Y275 HydrophobicContact CG2-CE1 3.76Å; V49-Y275 WeakPolarHBondContact O-CA 3.44Å; V49-I276 PolarHBondContact O-N 3.35Å |
| 50 | L | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.3 | 178.8 | 176.2 | 66.1 | 0 | 0 | 0 | 109.7 | V52 I102 I103 F225 F226 L227 I276 T278 M336 | L50-V52 HydrophobicContact CD1-CG2 4.07Å; L50-V52 HydrophobicContact CD2-CG2 4.1Å; L50-V52 HydrophobicContact CG-CG2 3.93Å; L50-I102 HydrophobicContact CD1-CG2 4.39Å; L50-I102 HydrophobicContact CD2-CG2 4.12Å; L50-I103 HydrophobicContact CD2-CD1 4.47Å; L50-I103 HydrophobicContact CD2-CG1 4.05Å; L50-F225 PolarHBondContact N-O 3.48Å; L50-F226 HydrophobicContact CB-CD2 4.3Å; L50-F226 HydrophobicContact CD2-CD2 3.72Å; L50-F226 HydrophobicContact CD2-CE2 4.03Å; L50-F226 HydrophobicContact CG-CD2 4Å; L50-F226 HydrophobicContact CG-CE2 4.43Å; L50-L227 PolarHBondContact O-N 3.42Å; L50-I276 HydrophobicContact CD1-CB 4.07Å; L50-I276 HydrophobicContact CD1-CG2 3.87Å; L50-T278 HydrophobicContact CD1-CG2 4.45Å; L50-M336 HydrophobicContact CB-SD 4.43Å; L50-M336 HydrophobicContact CD1-SD 4.08Å; L50-M336 HydrophobicContact CD2-CE 4.34Å; L50-M336 HydrophobicContact CD2-SD 3.81Å; L50-M336 HydrophobicContact CG-SD 4.32Å |
| 51 | F | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.8 | 167.6 | -58 | -87.8 | 0 | 0 | 0 | 109 | V49 L227 L229 I257 L260 Y275 I276 V277 T278 | V49-F51 HydrophobicContact CB-CE2 4.27Å; V49-F51 HydrophobicContact CG1-CD2 4.13Å; V49-F51 HydrophobicContact CG1-CE1 4.39Å; V49-F51 HydrophobicContact CG1-CE2 3.44Å; V49-F51 VanDerWaalsContact CG1-CE2 3.44Å; V49-F51 HydrophobicContact CG1-CZ 3.59Å; F51-L227 WeakPolarHBondContact CA-O 3.47Å; F51-L227 HydrophobicContact CD1-CB 3.89Å; F51-L227 HydrophobicContact CD1-CD1 4.42Å; F51-L227 HydrophobicContact CD1-CD2 4.37Å; F51-L227 HydrophobicContact CD1-CG 4.46Å; F51-L227 HydrophobicContact CE1-CB 4.24Å; F51-L227 HydrophobicContact CE1-CD1 4.15Å; F51-L227 HydrophobicContact CE1-CD2 3.89Å; F51-L227 HydrophobicContact CE1-CG 4.33Å; F51-L229 HydrophobicContact CD1-CD1 4.46Å; F51-I257 HydrophobicContact CB-CD1 4.41Å; F51-I257 HydrophobicContact CD1-CD1 4.41Å; F51-I257 HydrophobicContact CD1-CG1 3.94Å; F51-I257 HydrophobicContact CD2-CG2 4.33Å; F51-I257 HydrophobicContact CE1-CG1 4.08Å; F51-I257 HydrophobicContact CE1-CG2 4.49Å; F51-I257 HydrophobicContact CE2-CG2 4.03Å; F51-I257 HydrophobicContact CG-CD1 4.32Å; F51-I257 HydrophobicContact CG-CG1 4.26Å; F51-I257 HydrophobicContact CZ-CG2 4.12Å; F51-L260 HydrophobicContact CE1-CD1 3.94Å; F51-L260 HydrophobicContact CZ-CB 4.44Å; F51-L260 HydrophobicContact CZ-CD1 4.35Å; F51-Y275 HydrophobicContact CE2-CD1 4.31Å; F51-I276 PolarHBondContact N-O 3.31Å; F51-V277 HydrophobicContact CB-CB 4.47Å; F51-V277 HydrophobicContact CB-CG1 4.49Å; F51-V277 HydrophobicContact CB-CG2 3.96Å; F51-V277 HydrophobicContact CD2-CG2 3.8Å; F51-V277 HydrophobicContact CG-CG2 4.21Å; F51-V277 WeakPolarHBondContact O-CA 3.43Å; F51-T278 PolarHBondContact O-N 2.91Å |
| 52 | V | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | L50 H99 I102 F226 L227 L229 T278 D280 | L50-V52 HydrophobicContact CD1-CG2 4.07Å; L50-V52 HydrophobicContact CD2-CG2 4.1Å; L50-V52 HydrophobicContact CG-CG2 3.93Å; V52-H99 VanDerWaalsContact CG1-CE1 3.45Å; V52-H99 WeakPolarHBondContact CG1-CE1 3.3Å; V52-I102 HydrophobicContact CG1-CD1 3.95Å; V52-I102 HydrophobicContact CG2-CD1 4.12Å; V52-I102 HydrophobicContact CG2-CG2 4.47Å; V52-F226 HydrophobicContact CB-CE2 4.26Å; V52-F226 HydrophobicContact CG2-CE2 3.83Å; V52-L227 PolarHBondContact N-O 3.24Å; V52-L227 VanDerWaalsContact N-O 3.15Å; V52-L229 PolarHBondContact O-N 3.46Å; V52-T278 CarbonylContact C-O 3.55Å; V52-T278 WeakPolarHBondContact CA-O 3.4Å; V52-T278 HydrophobicContact CG2-CG2 4.1Å; V52-D280 HydrophobicContact CG1-CB 4.19Å |
| 53 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 103.3 | -179.7 | -167.6 | 0 | 0 | 0 | 0 | 108.5 | G55 L56 L229 M232 V253 V277 T278 A279 | V53-G55 PolarHBondContact O-N 3.49Å; V53-L56 HydrophobicContact CB-CB 3.87Å; V53-L56 HydrophobicContact CB-CD2 3.83Å; V53-L56 HydrophobicContact CG1-CB 3.81Å; V53-L56 HydrophobicContact CG1-CD2 3.98Å; V53-L56 HydrophobicContact CG1-CG 4.43Å; V53-L56 HydrophobicContact CG2-CD2 4.13Å; V53-L56 WeakPolarHBondContact O-CB 3.41Å; V53-L56 PolarHBondContact O-N 2.96Å; V53-L229 HydrophobicContact CG2-CD1 4.22Å; V53-M232 HydrophobicContact CG1-CB 3.99Å; V53-M232 HydrophobicContact CG1-CG 3.49Å; V53-M232 VanDerWaalsContact CG1-CG 3.49Å; V53-V253 HydrophobicContact CG1-CG1 4.23Å; V53-V253 HydrophobicContact CG1-CG2 4.32Å; V53-V253 HydrophobicContact CG2-CG1 3.81Å; V53-V277 HydrophobicContact CG2-CG1 4.44Å; V53-T278 PolarHBondContact N-O 3.23Å; V53-A279 WeakPolarHBondContact O-CA 3.34Å; V53-A279 WeakPolarHBondContact O-CB 3.18Å |
| 54 | D | 94.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 14.7 Ų | 14.7 | 4% | 0.043 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 127.9 | -174.8 | -158.5 | -29.4 | 0 | 0 | 0 | 111.2 | L56 T95 L229 M232 D233 D280 H281 | D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; D54-T95 PolarHBondContact OD1-OG1 2.88Å; D54-T95 VanDerWaalsContact OD2-CG2 3.23Å; D54-T95 WeakPolarHBondContact OD2-CG2 3.49Å; D54-T95 PolarHBondContact OD2-OG1 2.94Å; D54-L229 VanDerWaalsContact CB-O 3.25Å; D54-L229 WeakPolarHBondContact CB-O 3.23Å; D54-L229 PolarHBondContact N-O 3.3Å; D54-M232 CarbonylContact O-C 3.55Å; D54-M232 WeakPolarHBondContact O-CB 3.23Å; D54-D233 HydrophobicContact CB-CB 4.1Å; D54-D233 PolarHBondContact O-N 2.94Å; D54-D233 WeakPolarHBondContact OD1-CB 3.49Å; D54-D280 VanDerWaalsContact CA-OD1 3.25Å; D54-D280 WeakPolarHBondContact CA-OD1 3.3Å; D54-D280 VanDerWaalsContact CG-OD2 3.27Å; D54-D280 VanDerWaalsContact OD1-OD2 3.05Å; D54-H281 IonicContact OD1-CE1 2.75Å; D54-H281 IonicContact OD1-NE2 2.7Å; D54-H281 PolarHBondContact OD1-NE2 3.3Å |
| 55 | G | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 14.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V53 R57 Y246 D280 H281 | V53-G55 PolarHBondContact O-N 3.49Å; G55-R57 PolarHBondContact O-N 3.15Å; G55-Y246 PolarHBondContact O-OH 3.02Å; G55-D280 PolarHBondContact N-OD1 3.3Å; G55-D280 VanDerWaalsContact N-OD1 3.12Å; G55-H281 CarbonylContact C-O 3.57Å; G55-H281 VanDerWaalsContact C-O 3.26Å; G55-H281 VanDerWaalsContact CA-O 3.26Å; G55-H281 WeakPolarHBondContact CA-O 3.2Å |
| 56 | L | 95 | Very high | 92.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -82.7 | 98.7 | 176.7 | -180 | 66.9 | 0 | 0 | 0 | 111.9 | V53 D54 L61 I250 A279 H281 P300 | V53-L56 HydrophobicContact CB-CB 3.87Å; V53-L56 HydrophobicContact CB-CD2 3.83Å; V53-L56 HydrophobicContact CG1-CB 3.81Å; V53-L56 HydrophobicContact CG1-CD2 3.98Å; V53-L56 HydrophobicContact CG1-CG 4.43Å; V53-L56 HydrophobicContact CG2-CD2 4.13Å; V53-L56 WeakPolarHBondContact O-CB 3.41Å; V53-L56 PolarHBondContact O-N 2.96Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; L56-L61 HydrophobicContact CD1-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 4.29Å; L56-L61 HydrophobicContact CD2-CD2 4.36Å; L56-I250 HydrophobicContact CD1-CD1 4.07Å; L56-I250 HydrophobicContact CD1-CG1 3.96Å; L56-A279 HydrophobicContact CB-CB 3.98Å; L56-A279 VanDerWaalsContact O-CB 3.27Å; L56-A279 WeakPolarHBondContact O-CB 3.37Å; L56-H281 PolarHBondContact N-O 2.86Å; L56-P300 HydrophobicContact CD2-CG 3.93Å; L56-P300 HydrophobicContact CG-CG 4.16Å; L56-P300 WeakPolarHBondContact O-CD 3.41Å | ||
| 57 | R | 91.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | trans | -67.5 | 141.1 | 174 | 70.3 | -175.7 | -171.6 | -177.1 | 4.7 | 112.4 | G55 Q59 S60 L61 M283 D285 E295 | G55-R57 PolarHBondContact O-N 3.15Å; R57-Q59 VanDerWaalsContact C-N 3.29Å; R57-Q59 PolarHBondContact O-N 2.56Å; R57-S60 VanDerWaalsContact CG-OG 3.28Å; R57-S60 WeakPolarHBondContact CG-OG 3.31Å; R57-S60 PolarHBondContact NE-OG 3.04Å; R57-S60 PolarHBondContact O-N 3.19Å; R57-L61 PolarHBondContact O-N 3.39Å; R57-M283 WeakPolarHBondContact CD-O 3.28Å; R57-M283 PolarHBondContact NH1-O 3.41Å; R57-D285 IonicContact CZ-OD1 3.76Å; R57-D285 IonicContact NH1-OD1 3.72Å; R57-D285 PolarHBondContact NH1-OD1 2.83Å; R57-D285 IonicContact NH2-OD1 2.91Å; R57-D285 PolarHBondContact NH2-OD1 2.83Å; R57-D285 VanDerWaalsContact NH2-OD1 3.08Å; R57-E295 VanDerWaalsContact CB-O 3.3Å; R57-E295 WeakPolarHBondContact CB-O 3.28Å | ||
| 58 | A | 92.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S60 L61 F62 L298 | A58-S60 PolarHBondContact O-N 3.5Å; A58-L61 PolarHBondContact O-N 3.27Å; A58-F62 HydrophobicContact CB-CD2 4.04Å; A58-F62 HydrophobicContact CB-CE2 3.85Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.33Å; A58-F62 VanDerWaalsContact O-CD2 3.27Å; A58-F62 WeakPolarHBondContact O-CD2 3.32Å; A58-F62 WeakPolarHBondContact O-CG 3.36Å; A58-F62 PolarHBondContact O-N 3.42Å; A58-L298 HydrophobicContact CB-CB 4.23Å; A58-L298 WeakPolarHBondContact CB-O 3.42Å; A58-L298 PolarHBondContact N-O 3.29Å |
| 59 | Q | 91.2 | Very high | 90.8 | Very high | 80 Ų | 80 | 28.5 Ų | 28.5 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -54.3 | -50.2 | 178.6 | -178.4 | 179.5 | 7.4 | 0 | 0 | 112 | R57 L61 F62 E63 | R57-Q59 VanDerWaalsContact C-N 3.29Å; R57-Q59 PolarHBondContact O-N 2.56Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.4Å; Q59-F62 PolarHBondContact O-N 3.31Å; Q59-F62 VanDerWaalsContact O-N 3.16Å; Q59-E63 HydrophobicContact CG-CG 3.89Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q59-E63 PolarHBondContact NE2-OE1 3.34Å; Q59-E63 VanDerWaalsContact O-CB 3.26Å; Q59-E63 WeakPolarHBondContact O-CB 3.25Å; Q59-E63 VanDerWaalsContact O-CG 3.25Å; Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 2.99Å |
| 60 | S | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -31.8 | -178.2 | -72.3 | 0 | 0 | 0 | 0 | 113.5 | R57 A58 K71 I250 | R57-S60 VanDerWaalsContact CG-OG 3.28Å; R57-S60 WeakPolarHBondContact CG-OG 3.31Å; R57-S60 PolarHBondContact NE-OG 3.04Å; R57-S60 PolarHBondContact O-N 3.19Å; A58-S60 PolarHBondContact O-N 3.5Å; S60-K71 WeakPolarHBondContact O-CD 3.16Å; S60-I250 WeakPolarHBondContact O-CD1 3.45Å |
| 61 | L | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.3 | -38.9 | 175.7 | -173.8 | 69.5 | 0 | 0 | 0 | 111.9 | L56 R57 A58 Q59 S72 L75 I250 P300 I302 W320 | L56-L61 HydrophobicContact CD1-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 4.29Å; L56-L61 HydrophobicContact CD2-CD2 4.36Å; R57-L61 PolarHBondContact O-N 3.39Å; A58-L61 PolarHBondContact O-N 3.27Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.4Å; L61-S72 VanDerWaalsContact CD1-OG 3.23Å; L61-S72 WeakPolarHBondContact CD1-OG 3.32Å; L61-L75 HydrophobicContact CD1-CD1 4.18Å; L61-I250 HydrophobicContact CD1-CG2 3.99Å; L61-P300 HydrophobicContact CD2-CB 3.39Å; L61-P300 HydrophobicContact CD2-CG 3.72Å; L61-I302 HydrophobicContact CD2-CD1 3.86Å; L61-W320 PolarHBondContact O-NE1 3.37Å |
| 62 | F | 90.3 | Very high | 89.8 | Confident | 32 Ų | 32 | 30.7 Ų | 30.7 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.6 | -27.4 | -171.6 | -66.7 | -19.2 | 0 | 0 | 0 | 113.7 | A58 Q59 I86 P300 W320 | A58-F62 HydrophobicContact CB-CD2 4.04Å; A58-F62 HydrophobicContact CB-CE2 3.85Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.33Å; A58-F62 VanDerWaalsContact O-CD2 3.27Å; A58-F62 WeakPolarHBondContact O-CD2 3.32Å; A58-F62 WeakPolarHBondContact O-CG 3.36Å; A58-F62 PolarHBondContact O-N 3.42Å; Q59-F62 PolarHBondContact O-N 3.31Å; Q59-F62 VanDerWaalsContact O-N 3.16Å; F62-I86 HydrophobicContact CE2-CG1 4.14Å; F62-P300 HydrophobicContact CE1-CB 4.07Å; F62-P300 HydrophobicContact CZ-CB 3.82Å; F62-W320 HydrophobicContact CB-CB 3.76Å; F62-W320 HydrophobicContact CB-CG 4.1Å; F62-W320 HydrophobicContact CD1-CB 3.78Å; F62-W320 AromaticContact CD1-CD2 3.34Å; F62-W320 HydrophobicContact CD1-CD2 3.34Å; F62-W320 AromaticContact CD1-CE2 3.96Å; F62-W320 AromaticContact CD1-CE3 3.41Å; F62-W320 HydrophobicContact CD1-CE3 3.41Å; F62-W320 VanDerWaalsContact CD1-CE3 3.41Å; F62-W320 AromaticContact CD1-CG 3.54Å; F62-W320 HydrophobicContact CD1-CG 3.54Å; F62-W320 HydrophobicContact CD1-CZ3 4.11Å; F62-W320 AromaticContact CE1-CD2 3.75Å; F62-W320 HydrophobicContact CE1-CD2 3.75Å; F62-W320 AromaticContact CE1-CE3 3.28Å; F62-W320 HydrophobicContact CE1-CE3 3.28Å; F62-W320 HydrophobicContact CE1-CG 4.37Å; F62-W320 HydrophobicContact CE1-CH2 4.32Å; F62-W320 AromaticContact CE1-CZ3 3.61Å; F62-W320 HydrophobicContact CE1-CZ3 3.61Å; F62-W320 HydrophobicContact CG-CB 3.91Å; F62-W320 HydrophobicContact CG-CD2 4.34Å; F62-W320 HydrophobicContact CG-CG 4.12Å; F62-W320 HydrophobicContact CZ-CE3 4.32Å; F62-W320 PolarHBondContact O-N 3.12Å; F62-W320 VanDerWaalsContact O-N 3.13Å |
| 63 | E | 89.2 | Confident | 89.5 | Confident | 79 Ų | 79 | 34.4 Ų | 34.4 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -70.1 | 149.2 | 175.2 | -77.5 | 179.8 | 166.9 | 0 | 0 | 113 | Q59 | Q59-E63 HydrophobicContact CG-CG 3.89Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q59-E63 PolarHBondContact NE2-OE1 3.34Å; Q59-E63 VanDerWaalsContact O-CB 3.26Å; Q59-E63 WeakPolarHBondContact O-CB 3.25Å; Q59-E63 VanDerWaalsContact O-CG 3.25Å; Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 2.99Å |
| 64 | C | 85.7 | Confident | 89.5 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -76.4 | 152.9 | 169 | -73.8 | 0 | 0 | 0 | 0 | 111.2 | S69 C319 | C64-S69 WeakPolarHBondContact CA-O 3.25Å; C64-C319 HydrophobicContact CB-CB 4.32Å; C64-C319 WeakPolarHBondContact CB-SG 3.33Å; C64-C319 WeakPolarHBondContact SG-CA 3.15Å; C64-C319 WeakPolarHBondContact SG-CB 3.45Å; C64-C319 PolarHBondContact SG-N 3.11Å; C64-C319 VanDerWaalsContact SG-N 3.42Å; C64-C319 CovalentContact SG-SG 2.04Å; C64-C319 PolarHBondContact SG-SG 2.84Å |
| 65 | G | 81.5 | Confident | 89.5 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 171.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N67 G68 S69 | G65-N67 PolarHBondContact O-N 2.95Å; G65-G68 PolarHBondContact O-N 3.09Å; G65-S69 PolarHBondContact N-O 3.5Å |
| 66 | A | 78.3 | Confident | 89.4 | Confident | 120 Ų | 120 | 34.8 Ų | 34.8 | 99% | 0.992 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 67 | N | 80.3 | Confident | 89.3 | Confident | 130 Ų | 130 | 38.8 Ų | 38.8 | 70% | 0.695 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 7.7 | 176.7 | 63.8 | -4.5 | 0 | 0 | 0 | 114 | G65 S69 | G65-N67 PolarHBondContact O-N 2.95Å; N67-S69 VanDerWaalsContact C-N 3.26Å; N67-S69 PolarHBondContact ND2-OG 2.74Å; N67-S69 PolarHBondContact O-N 3.35Å; N67-S69 WeakPolarHBondContact OD1-CB 3.43Å; N67-S69 PolarHBondContact OD1-N 2.86Å; N67-S69 PolarHBondContact OD1-OG 2.83Å |
| 68 | G | 81.7 | Confident | 89.3 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 44% | 0.443 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 76.6 | 4.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G65 | G65-G68 PolarHBondContact O-N 3.09Š|
| 69 | S | 86 | Confident | 89.2 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | trans | -80.1 | 149.7 | 179.5 | 71 | 0 | 0 | 0 | 0 | 112.7 | C64 G65 N67 | C64-S69 WeakPolarHBondContact CA-O 3.25Å; G65-S69 PolarHBondContact N-O 3.5Å; N67-S69 VanDerWaalsContact C-N 3.26Å; N67-S69 PolarHBondContact ND2-OG 2.74Å; N67-S69 PolarHBondContact O-N 3.35Å; N67-S69 WeakPolarHBondContact OD1-CB 3.43Å; N67-S69 PolarHBondContact OD1-N 2.86Å; N67-S69 PolarHBondContact OD1-OG 2.83Å | ||
| 70 | V | 89.6 | Confident | 89.1 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 124.8 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | S72 R76 A318 | V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.15Å; V70-R76 HydrophobicContact CG1-CB 3.95Å; V70-R76 HydrophobicContact CG1-CG 4.26Å; V70-A318 HydrophobicContact CG2-CB 4.33Å; V70-A318 WeakPolarHBondContact CG2-O 3.41Å |
| 71 | K | 91.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -69.4 | -27.4 | -178.1 | -58.3 | 173.9 | -173.6 | -176.4 | 0 | 112.9 | S60 D247 I250 R251 | S60-K71 WeakPolarHBondContact O-CD 3.16Å; K71-D247 WeakPolarHBondContact CD-OD1 3.48Å; K71-D247 WeakPolarHBondContact CE-OD1 3.49Å; K71-D247 WeakPolarHBondContact CE-OD2 3.5Å; K71-D247 IonicContact NZ-OD1 3.84Å; K71-D247 PolarHBondContact NZ-OD1 3.31Å; K71-D247 IonicContact NZ-OD2 3.73Å; K71-I250 HydrophobicContact CB-CG2 4.01Å; K71-I250 HydrophobicContact CD-CD1 4.33Å; K71-R251 WeakPolarHBondContact O-CG 3.37Å |
| 72 | S | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -126.4 | 69.6 | -177.3 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | L61 V70 F74 L75 R76 D254 | L61-S72 VanDerWaalsContact CD1-OG 3.23Å; L61-S72 WeakPolarHBondContact CD1-OG 3.32Å; V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.15Å; S72-F74 VanDerWaalsContact C-N 3.31Å; S72-F74 PolarHBondContact O-N 2.75Å; S72-L75 PolarHBondContact O-N 2.99Å; S72-R76 WeakPolarHBondContact O-CB 3.42Å; S72-R76 PolarHBondContact O-N 2.57Å; S72-D254 VanDerWaalsContact C-OD1 3.32Å; S72-D254 WeakPolarHBondContact CA-OD1 3.37Å; S72-D254 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 73 | P | 93 | Very high | 89.4 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.5 | -33.9 | -173.1 | 24.6 | -35.1 | 0 | 0 | 0 | 113.8 | Q77 D254 | P73-Q77 WeakPolarHBondContact O-CB 3.2Å; P73-Q77 PolarHBondContact O-N 3.35Å; P73-D254 WeakPolarHBondContact CD-OD2 3.28Å |
| 74 | F | 96 | Very high | 89.6 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -48.4 | 178.1 | 172.7 | -99.3 | 0 | 0 | 0 | 111.7 | S72 R76 Q77 M78 D254 I257 K258 Y261 W304 | S72-F74 VanDerWaalsContact C-N 3.31Å; S72-F74 PolarHBondContact O-N 2.75Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 2.91Å; F74-Q77 WeakPolarHBondContact O-CA 3.16Å; F74-Q77 VanDerWaalsContact O-CB 3.3Å; F74-Q77 WeakPolarHBondContact O-CB 3.31Å; F74-Q77 PolarHBondContact O-N 3.42Å; F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CE 4.03Å; F74-M78 HydrophobicContact CD2-CG 4.35Å; F74-M78 HydrophobicContact CE1-CG 3.63Å; F74-M78 HydrophobicContact CE2-CE 3.58Å; F74-M78 HydrophobicContact CE2-CG 3.87Å; F74-M78 HydrophobicContact CE2-SD 3.94Å; F74-M78 HydrophobicContact CZ-CE 4.1Å; F74-M78 HydrophobicContact CZ-CG 3.46Å; F74-M78 VanDerWaalsContact CZ-CG 3.46Å; F74-M78 HydrophobicContact CZ-SD 3.83Å; F74-M78 WeakPolarHBondContact O-CG 3.33Å; F74-M78 PolarHBondContact O-N 3.46Å; F74-D254 WeakPolarHBondContact CB-OD1 3.09Å; F74-D254 WeakPolarHBondContact CB-OD2 3.35Å; F74-D254 PolarHBondContact N-OD1 3.26Å; F74-D254 PolarHBondContact N-OD2 3.35Å; F74-I257 HydrophobicContact CD1-CG2 4.39Å; F74-I257 HydrophobicContact CE1-CG2 3.91Å; F74-K258 HydrophobicContact CB-CB 4Å; F74-K258 HydrophobicContact CB-CD 4.21Å; F74-K258 HydrophobicContact CB-CG 4.32Å; F74-K258 HydrophobicContact CD1-CB 3.8Å; F74-K258 HydrophobicContact CD2-CB 3.71Å; F74-K258 HydrophobicContact CD2-CD 4.05Å; F74-K258 HydrophobicContact CD2-CG 3.53Å; F74-K258 HydrophobicContact CE1-CB 4.21Å; F74-K258 HydrophobicContact CE2-CB 4.09Å; F74-K258 HydrophobicContact CE2-CG 3.9Å; F74-K258 HydrophobicContact CG-CB 3.53Å; F74-K258 HydrophobicContact CG-CD 4.28Å; F74-K258 HydrophobicContact CG-CG 3.87Å; F74-K258 HydrophobicContact CZ-CB 4.33Å; F74-Y261 AromaticContact CE2-CD1 3.98Å; F74-Y261 HydrophobicContact CE2-CD1 3.98Å; F74-Y261 HydrophobicContact CE2-CG 4.36Å; F74-Y261 AromaticContact CZ-CD1 3.8Å; F74-Y261 HydrophobicContact CZ-CD1 3.8Å; F74-Y261 HydrophobicContact CZ-CD2 4.41Å; F74-Y261 AromaticContact CZ-CG 3.7Å; F74-Y261 HydrophobicContact CZ-CG 3.7Å; F74-W304 HydrophobicContact CE1-CZ2 4.34Å |
| 75 | L | 94.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 176.7 | -71.3 | 178.2 | 0 | 0 | 0 | 111.8 | L61 S72 Q77 M78 S79 D254 I257 V277 I302 W304 W320 | L61-L75 HydrophobicContact CD1-CD1 4.18Å; S72-L75 PolarHBondContact O-N 2.99Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 2.85Å; L75-M78 PolarHBondContact O-N 3.3Å; L75-S79 WeakPolarHBondContact O-CB 3.35Å; L75-S79 PolarHBondContact O-N 3.43Å; L75-S79 PolarHBondContact O-OG 3.28Å; L75-D254 WeakPolarHBondContact CB-OD1 3.42Å; L75-D254 VanDerWaalsContact CG-OD1 3.27Å; L75-D254 WeakPolarHBondContact CG-OD1 3.45Å; L75-D254 PolarHBondContact N-OD1 3.08Å; L75-I257 HydrophobicContact CD1-CD1 4.45Å; L75-I257 HydrophobicContact CD2-CD1 4.32Å; L75-I257 HydrophobicContact CD2-CG2 4.32Å; L75-V277 HydrophobicContact CD1-CG1 4.33Å; L75-V277 HydrophobicContact CD2-CB 4.33Å; L75-V277 HydrophobicContact CD2-CG1 4.28Å; L75-V277 HydrophobicContact CD2-CG2 3.84Å; L75-I302 HydrophobicContact CB-CD1 4.01Å; L75-I302 HydrophobicContact CD1-CD1 4.28Å; L75-I302 HydrophobicContact CD2-CD1 4.28Å; L75-I302 HydrophobicContact CG-CD1 4.42Å; L75-W304 HydrophobicContact CD2-CH2 4.22Å; L75-W304 HydrophobicContact CD2-CZ3 4.38Å; L75-W320 HydrophobicContact CB-CH2 4.29Å; L75-W320 HydrophobicContact CB-CZ2 4.2Å |
| 76 | R | 91.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 172.3 | -178.7 | 58.1 | 172.1 | 145.8 | 4.2 | 112.4 | V70 S72 F74 S79 D313 S317 W320 | V70-R76 HydrophobicContact CG1-CB 3.95Å; V70-R76 HydrophobicContact CG1-CG 4.26Å; S72-R76 WeakPolarHBondContact O-CB 3.42Å; S72-R76 PolarHBondContact O-N 2.57Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 2.91Å; R76-S79 PolarHBondContact O-OG 3.12Å; R76-D313 IonicContact CZ-OD2 3.46Å; R76-D313 IonicContact NH1-OD2 2.71Å; R76-D313 IonicContact NH2-OD1 3.84Å; R76-D313 IonicContact NH2-OD2 3.35Å; R76-D313 PolarHBondContact NH2-OD2 2.84Å; R76-D313 VanDerWaalsContact NH2-OD2 3.1Å; R76-S317 PolarHBondContact NH2-O 3.23Å; R76-W320 HydrophobicContact CB-CZ2 3.84Å |
| 77 | Q | 92.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 33.6 Ų | 33.6 | 41% | 0.411 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67 | -42.8 | 173.3 | -171.3 | -169.8 | 16.2 | 0 | 0 | 111.3 | P73 F74 L75 R80 K81 | P73-Q77 WeakPolarHBondContact O-CB 3.2Å; P73-Q77 PolarHBondContact O-N 3.35Å; F74-Q77 WeakPolarHBondContact O-CA 3.16Å; F74-Q77 VanDerWaalsContact O-CB 3.3Å; F74-Q77 WeakPolarHBondContact O-CB 3.31Å; F74-Q77 PolarHBondContact O-N 3.42Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 2.85Å; Q77-R80 PolarHBondContact O-N 3.42Å; Q77-K81 PolarHBondContact O-N 2.7Å |
| 78 | M | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | -179.4 | -66.8 | -51.7 | 106.4 | 0 | 0 | 112.2 | F74 L75 R80 K81 G82 W304 | F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CE 4.03Å; F74-M78 HydrophobicContact CD2-CG 4.35Å; F74-M78 HydrophobicContact CE1-CG 3.63Å; F74-M78 HydrophobicContact CE2-CE 3.58Å; F74-M78 HydrophobicContact CE2-CG 3.87Å; F74-M78 HydrophobicContact CE2-SD 3.94Å; F74-M78 HydrophobicContact CZ-CE 4.1Å; F74-M78 HydrophobicContact CZ-CG 3.46Å; F74-M78 VanDerWaalsContact CZ-CG 3.46Å; F74-M78 HydrophobicContact CZ-SD 3.83Å; F74-M78 WeakPolarHBondContact O-CG 3.33Å; F74-M78 PolarHBondContact O-N 3.46Å; L75-M78 PolarHBondContact O-N 3.3Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 2.85Å; M78-K81 HydrophobicContact CE-CD 4.11Å; M78-K81 CarbonylContact O-C 3.32Å; M78-K81 WeakPolarHBondContact O-CA 3.29Å; M78-K81 WeakPolarHBondContact O-CB 3.45Å; M78-K81 PolarHBondContact O-N 2.87Å; M78-K81 HydrophobicContact SD-CD 4.29Å; M78-G82 PolarHBondContact O-N 2.89Å; M78-W304 HydrophobicContact CB-CD2 3.72Å; M78-W304 HydrophobicContact CB-CE3 3.98Å; M78-W304 HydrophobicContact CB-CG 4Å; M78-W304 HydrophobicContact CB-CZ2 4.44Å; M78-W304 HydrophobicContact CB-CZ3 4.44Å; M78-W304 HydrophobicContact CG-CD2 4.09Å; M78-W304 HydrophobicContact CG-CG 4.41Å; M78-W304 HydrophobicContact CG-CZ2 4.1Å; M78-W304 HydrophobicContact SD-CG 4.45Å |
| 79 | S | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 176 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | L75 R76 K81 G82 W84 W320 | L75-S79 WeakPolarHBondContact O-CB 3.35Å; L75-S79 PolarHBondContact O-N 3.43Å; L75-S79 PolarHBondContact O-OG 3.28Å; R76-S79 PolarHBondContact O-OG 3.12Å; S79-K81 VanDerWaalsContact C-N 3.26Å; S79-K81 PolarHBondContact O-N 3.47Å; S79-G82 CarbonylContact O-C 3.19Å; S79-G82 VanDerWaalsContact O-C 3.22Å; S79-G82 PolarHBondContact O-N 3.35Å; S79-G82 VanDerWaalsContact O-N 3.14Å; S79-G82 VanDerWaalsContact O-O 3.11Å; S79-W84 VanDerWaalsContact O-CE3 3.25Å; S79-W84 WeakPolarHBondContact O-CZ3 3.38Å; S79-W320 WeakPolarHBondContact OG-CZ3 3.26Å |
| 80 | R | 88.8 | Confident | 92.6 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 38% | 0.381 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.5 | -21.4 | 172.9 | -70.9 | 176.5 | 170 | 158.4 | 1.5 | 114.7 | Q77 M78 R310 D313 | Q77-R80 PolarHBondContact O-N 3.42Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 2.85Å; R80-R310 PolarHBondContact O-NE 2.83Å; R80-D313 IonicContact CZ-OD2 3.08Å; R80-D313 IonicContact NE-OD2 3.76Å; R80-D313 PolarHBondContact NE-OD2 2.69Å; R80-D313 IonicContact NH2-OD2 3.85Å |
| 81 | K | 91.7 | Very high | 92.1 | Very high | 110 Ų | 110 | 33.4 Ų | 33.4 | 48% | 0.478 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -88.7 | -16 | 173.7 | -67.5 | -175.6 | -179.8 | -176.1 | 0 | 112.4 | Q77 M78 S79 | Q77-K81 PolarHBondContact O-N 2.7Å; M78-K81 HydrophobicContact CE-CD 4.11Å; M78-K81 CarbonylContact O-C 3.32Å; M78-K81 WeakPolarHBondContact O-CA 3.29Å; M78-K81 WeakPolarHBondContact O-CB 3.45Å; M78-K81 PolarHBondContact O-N 2.87Å; M78-K81 HydrophobicContact SD-CD 4.29Å; S79-K81 VanDerWaalsContact C-N 3.26Å; S79-K81 PolarHBondContact O-N 3.47Å |
| 82 | G | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -132.8 | -133.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M78 S79 A303 N309 R310 M311 | M78-G82 PolarHBondContact O-N 2.89Å; S79-G82 CarbonylContact O-C 3.19Å; S79-G82 VanDerWaalsContact O-C 3.22Å; S79-G82 PolarHBondContact O-N 3.35Å; S79-G82 VanDerWaalsContact O-N 3.14Å; S79-G82 VanDerWaalsContact O-O 3.11Å; G82-A303 WeakPolarHBondContact CA-O 3.27Å; G82-N309 CarbonylContact C-O 3.56Å; G82-N309 WeakPolarHBondContact CA-O 3.02Å; G82-N309 VanDerWaalsContact O-O 3.09Å; G82-R310 CarbonylContact O-C 3.57Å; G82-R310 WeakPolarHBondContact O-CA 3.37Å; G82-M311 PolarHBondContact O-N 3.16Å |
| 83 | S | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.8 | -179.2 | -69.9 | 0 | 0 | 0 | 0 | 110 | A303 N309 | S83-A303 PolarHBondContact N-O 2.84Å; S83-A303 PolarHBondContact O-N 3.41Å; S83-A303 VanDerWaalsContact O-O 3.11Å; S83-N309 PolarHBondContact N-O 2.93Å; S83-N309 PolarHBondContact OG-O 2.76Å |
| 84 | W | 93.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 160.2 | 174.2 | 73.4 | 97.7 | 0 | 0 | 0 | 111.1 | S79 L301 I302 M311 D313 W320 P321 S323 | S79-W84 VanDerWaalsContact O-CE3 3.25Å; S79-W84 WeakPolarHBondContact O-CZ3 3.38Å; W84-L301 CarbonylContact C-O 3.55Å; W84-L301 WeakPolarHBondContact CA-O 3.3Å; W84-L301 WeakPolarHBondContact CB-O 3.28Å; W84-I302 HydrophobicContact CB-CG1 4.23Å; W84-M311 HydrophobicContact CE3-CB 4.37Å; W84-M311 HydrophobicContact CE3-SD 4.25Å; W84-M311 HydrophobicContact CH2-CB 4.35Å; W84-M311 HydrophobicContact CH2-CG 4.31Å; W84-M311 HydrophobicContact CH2-SD 4Å; W84-M311 HydrophobicContact CZ2-SD 4.26Å; W84-M311 HydrophobicContact CZ3-CB 3.78Å; W84-M311 HydrophobicContact CZ3-CG 4.2Å; W84-M311 HydrophobicContact CZ3-SD 4.01Å; W84-D313 HydrophobicContact CH2-CB 4.28Å; W84-W320 HydrophobicContact CB-CZ3 4.1Å; W84-W320 AromaticContact CD1-CE3 3.72Å; W84-W320 AromaticContact CD1-CZ3 3.99Å; W84-W320 HydrophobicContact CG-CE3 4.16Å; W84-W320 HydrophobicContact CG-CZ3 4.01Å; W84-P321 HydrophobicContact CZ2-CG 4.07Å; W84-S323 WeakPolarHBondContact O-CB 3.46Å; W84-S323 PolarHBondContact O-OG 3.38Å |
| 85 | G | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -168 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L301 Y356 | G85-L301 PolarHBondContact N-O 3.2Å; G85-L301 PolarHBondContact O-N 3.43Å; G85-Y356 PolarHBondContact N-OH 3.22Å |
| 86 | I | 94.9 | Very high | 90.4 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.195 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.6 | 170.6 | -60.1 | 168.9 | 0 | 0 | 0 | 108.9 | F62 K88 L298 T299 D326 V327 | F62-I86 HydrophobicContact CE2-CG1 4.14Å; I86-K88 HydrophobicContact CG2-CG 4.21Å; I86-L298 HydrophobicContact CG2-CB 3.82Å; I86-L298 HydrophobicContact CG2-CD2 3.83Å; I86-L298 HydrophobicContact CG2-CG 4.34Å; I86-T299 CarbonylContact C-O 3.55Å; I86-T299 WeakPolarHBondContact CA-O 3.31Å; I86-D326 HydrophobicContact CB-CB 4.49Å; I86-D326 WeakPolarHBondContact CB-OD1 3.42Å; I86-D326 PolarHBondContact N-OD1 3.07Å; I86-D326 CarbonylContact O-C 3.57Å; I86-D326 VanDerWaalsContact O-CA 3.24Å; I86-D326 WeakPolarHBondContact O-CA 3.45Å; I86-V327 PolarHBondContact O-N 3.39Å |
| 87 | S | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.7 | 162.6 | 159.7 | 0 | 0 | 0 | 0 | 108.1 | T89 T299 V327 Q329 | S87-T89 PolarHBondContact O-N 2.82Å; S87-T299 WeakPolarHBondContact CB-OG1 2.99Å; S87-T299 PolarHBondContact N-O 2.98Å; S87-T299 PolarHBondContact O-N 3.31Å; S87-T299 PolarHBondContact O-OG1 2.87Å; S87-T299 PolarHBondContact OG-OG1 3.04Å; S87-T299 VanDerWaalsContact OG-OG1 3.1Å; S87-V327 WeakPolarHBondContact CA-O 3.38Å; S87-Q329 WeakPolarHBondContact OG-CA 3.1Å; S87-Q329 WeakPolarHBondContact OG-CB 2.83Å |
| 88 | K | 94.6 | Very high | 90.4 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 38% | 0.378 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 101.6 | 178.4 | -66 | 177.8 | -176.5 | 170.3 | 0 | 108.4 | I86 L298 D326 V327 Q329 | I86-K88 HydrophobicContact CG2-CG 4.21Å; K88-L298 HydrophobicContact CG-CD2 4.01Å; K88-D326 IonicContact NZ-OD2 3.55Å; K88-V327 PolarHBondContact N-O 3.2Å; K88-Q329 WeakPolarHBondContact O-CB 3.4Å; K88-Q329 PolarHBondContact O-N 2.82Å |
| 89 | T | 92.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 150.9 | 172 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | S87 T93 D280 H281 T297 T299 Q329 | S87-T89 PolarHBondContact O-N 2.82Å; T89-T93 HydrophobicContact CG2-CG2 3.79Å; T89-D280 WeakPolarHBondContact CB-O 3.21Å; T89-D280 PolarHBondContact OG1-O 3.28Å; T89-D280 VanDerWaalsContact OG1-O 3.11Å; T89-H281 HydrophobicContact CG2-CB 4.39Å; T89-T297 WeakPolarHBondContact CG2-O 3.43Å; T89-T297 PolarHBondContact N-O 3.41Å; T89-T299 HydrophobicContact CG2-CG2 4.1Å; T89-Q329 PolarHBondContact OG1-OE1 2.81Å |
| 90 | R | 85.9 | Confident | 90.7 | Very high | 132 Ų | 132 | 31.2 Ų | 31.2 | 50% | 0.498 | 14% | 0.137 | S | C | . | . | P | Polyproline II helix | trans | -93.8 | 155.1 | 168.8 | -70.2 | -170.3 | -174.3 | 175.4 | 5.2 | 108.6 | P92 | R90-P92 CarbonylContact O-C 3.57Å; R90-P92 VanDerWaalsContact O-O 3.09Å |
| 91 | V | 79.1 | Confident | 91 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 16% | 0.158 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -74.5 | 140.8 | 175.2 | -89.3 | 0 | 0 | 0 | 0 | 110.8 | T93 A291 T297 G875 S876 | V91-T93 HydrophobicContact CG1-CG2 4.12Å; V91-A291 WeakPolarHBondContact CG1-O 3.43Å; V91-T297 HydrophobicContact CG1-CG2 4.08Å; V91-G875 VanDerWaalsContact CG2-C 3.46Å; V91-G875 WeakPolarHBondContact CG2-O 3.49Å; V91-S876 VanDerWaalsContact CG2-N 3.26Å |
| 92 | P | 80.5 | Confident | 91.3 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | S | Bend | cis | -74.9 | 144.9 | 7.7 | 38.3 | -27.8 | 0 | 0 | 0 | 109.9 | R90 E94 P97 W877 | R90-P92 CarbonylContact O-C 3.57Å; R90-P92 VanDerWaalsContact O-O 3.09Å; P92-E94 HydrophobicContact CB-CB 4.24Å; P92-E94 HydrophobicContact CB-CG 3.7Å; P92-E94 HydrophobicContact CG-CB 4.19Å; P92-E94 HydrophobicContact CG-CG 4.11Å; P92-E94 PolarHBondContact O-N 3.48Å; P92-P97 HydrophobicContact CG-CB 3.85Å; P92-P97 HydrophobicContact CG-CG 3.59Å; P92-W877 HydrophobicContact CB-CB 3.79Å; P92-W877 HydrophobicContact CB-CD2 3.89Å; P92-W877 HydrophobicContact CB-CE3 4.05Å; P92-W877 HydrophobicContact CB-CG 3.75Å; P92-W877 VanDerWaalsContact CD-CE2 3.42Å; P92-W877 VanDerWaalsContact CD-NE1 3.29Å; P92-W877 HydrophobicContact CG-CB 4.17Å; P92-W877 HydrophobicContact CG-CD2 3.34Å; P92-W877 HydrophobicContact CG-CE3 3.65Å; P92-W877 HydrophobicContact CG-CG 3.56Å; P92-W877 HydrophobicContact CG-CH2 3.88Å; P92-W877 HydrophobicContact CG-CZ2 3.65Å; P92-W877 HydrophobicContact CG-CZ3 3.87Å |
| 93 | T | 85.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -80.9 | 70.4 | 173.8 | 40.9 | 0 | 0 | 0 | 0 | 107.7 | T89 V91 H281 H289 G290 A291 E296 T297 | T89-T93 HydrophobicContact CG2-CG2 3.79Å; V91-T93 HydrophobicContact CG1-CG2 4.12Å; T93-H281 HydrophobicContact CG2-CB 4.23Å; T93-H289 PolarHBondContact O-ND1 2.8Å; T93-G290 PolarHBondContact O-N 3.26Å; T93-G290 WeakPolarHBondContact OG1-CA 3.44Å; T93-G290 PolarHBondContact OG1-N 2.79Å; T93-A291 WeakPolarHBondContact CG2-O 3.5Å; T93-A291 PolarHBondContact OG1-N 3.4Å; T93-A291 VanDerWaalsContact OG1-N 3.16Å; T93-A291 PolarHBondContact OG1-O 2.94Å; T93-E296 HydrophobicContact CG2-CB 3.73Å; T93-E296 VanDerWaalsContact CG2-O 3.28Å; T93-E296 WeakPolarHBondContact CG2-O 3.37Å; T93-E296 PolarHBondContact OG1-OE1 3.37Å; T93-T297 HydrophobicContact CG2-CG2 3.77Å | ||
| 94 | E | 87.5 | Confident | 91.5 | Very high | 59 Ų | 59 | 21.3 Ų | 21.3 | 28% | 0.276 | 10% | 0.097 | S | C | . | . | trans | -129.5 | 151.3 | -176 | -68.1 | -80.1 | 174.9 | 0 | 0 | 109.8 | P92 R96 P97 G98 H289 | P92-E94 HydrophobicContact CB-CB 4.24Å; P92-E94 HydrophobicContact CB-CG 3.7Å; P92-E94 HydrophobicContact CG-CB 4.19Å; P92-E94 HydrophobicContact CG-CG 4.11Å; P92-E94 PolarHBondContact O-N 3.48Å; E94-R96 PolarHBondContact O-N 2.67Å; E94-P97 HydrophobicContact CB-CG 4.28Å; E94-P97 WeakPolarHBondContact O-CD 3.39Å; E94-G98 PolarHBondContact O-N 2.98Å; E94-H289 IonicContact OE2-CE1 2.67Å; E94-H289 PolarHBondContact OE2-CE1 3.23Å; E94-H289 IonicContact OE2-ND1 3.46Å | ||
| 95 | T | 90.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 17% | 0.172 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -51.7 | -55.1 | -171.9 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | D54 G98 H99 V142 D280 H281 | D54-T95 PolarHBondContact OD1-OG1 2.88Å; D54-T95 VanDerWaalsContact OD2-CG2 3.23Å; D54-T95 WeakPolarHBondContact OD2-CG2 3.49Å; D54-T95 PolarHBondContact OD2-OG1 2.94Å; T95-G98 PolarHBondContact O-N 3.4Å; T95-H99 PolarHBondContact O-CD2 3.48Å; T95-H99 PolarHBondContact O-N 2.91Å; T95-V142 HydrophobicContact CG2-CG2 3.62Å; T95-D280 VanDerWaalsContact CA-OD2 3.3Å; T95-D280 WeakPolarHBondContact CA-OD2 3.39Å; T95-H281 PolarHBondContact N-CD2 3.22Å; T95-H281 PolarHBondContact N-NE2 2.81Å |
| 96 | R | 89.7 | Confident | 91.7 | Very high | 47 Ų | 47 | 21.4 Ų | 21.4 | 18% | 0.177 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -54.8 | -177 | 174 | -175.9 | 87.9 | -102.1 | -5.7 | 112.7 | E94 G98 H99 V100 E108 W117 R118 I145 | E94-R96 PolarHBondContact O-N 2.67Å; R96-G98 VanDerWaalsContact C-N 3.28Å; R96-G98 PolarHBondContact O-N 2.76Å; R96-H99 PolarHBondContact O-N 2.79Å; R96-V100 HydrophobicContact CG-CG2 4.31Å; R96-V100 WeakPolarHBondContact O-CG2 3.44Å; R96-V100 PolarHBondContact O-N 2.9Å; R96-E108 IonicContact CZ-OE1 2.67Å; R96-E108 IonicContact NE-OE1 2.72Å; R96-E108 PolarHBondContact NE-OE1 3.25Å; R96-E108 IonicContact NE-OE2 3.85Å; R96-E108 IonicContact NH2-OE1 3.05Å; R96-E108 PolarHBondContact NH2-OE1 3.34Å; R96-W117 PolarHBondContact NH1-O 2.93Å; R96-W117 PolarHBondContact NH2-O 2.82Å; R96-R118 PolarHBondContact NH1-O 2.88Å; R96-I145 HydrophobicContact CB-CD1 4.12Å; R96-I145 HydrophobicContact CG-CD1 3.67Å; R96-I145 HydrophobicContact CG-CG1 4.3Å |
| 97 | P | 90.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 4% | 0.039 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.6 | -40.2 | 177 | -33.7 | 42.7 | 0 | 0 | 0 | 113.8 | P92 E94 V100 A101 E108 W877 | P92-P97 HydrophobicContact CG-CB 3.85Å; P92-P97 HydrophobicContact CG-CG 3.59Å; E94-P97 HydrophobicContact CB-CG 4.28Å; E94-P97 WeakPolarHBondContact O-CD 3.39Å; P97-V100 PolarHBondContact O-N 2.89Å; P97-A101 WeakPolarHBondContact O-CB 3.48Å; P97-A101 PolarHBondContact O-N 2.86Å; P97-E108 HydrophobicContact CB-CB 3.93Å; P97-E108 HydrophobicContact CG-CB 4.06Å; P97-E108 HydrophobicContact CG-CG 4.4Å; P97-W877 HydrophobicContact CG-CH2 3.67Å; P97-W877 HydrophobicContact CG-CZ2 3.72Å |
| 98 | G | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E94 T95 R96 V100 A101 I102 | E94-G98 PolarHBondContact O-N 2.98Å; T95-G98 PolarHBondContact O-N 3.4Å; R96-G98 VanDerWaalsContact C-N 3.28Å; R96-G98 PolarHBondContact O-N 2.76Å; G98-V100 PolarHBondContact O-N 2.88Å; G98-A101 PolarHBondContact O-N 2.87Å; G98-I102 WeakPolarHBondContact O-CD1 3.49Å; G98-I102 VanDerWaalsContact O-CG1 3.23Å; G98-I102 WeakPolarHBondContact O-CG1 3.16Å; G98-I102 PolarHBondContact O-N 2.82Å |
| 99 | H | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.6 | -79.6 | -66.9 | 0 | 0 | 0 | 113.4 | V52 T95 R96 A101 I102 I103 V142 F146 F226 D280 | V52-H99 VanDerWaalsContact CG1-CE1 3.45Å; V52-H99 WeakPolarHBondContact CG1-CE1 3.3Å; T95-H99 PolarHBondContact O-CD2 3.48Å; T95-H99 PolarHBondContact O-N 2.91Å; R96-H99 PolarHBondContact O-N 2.79Å; H99-A101 VanDerWaalsContact C-N 3.33Å; H99-A101 PolarHBondContact O-N 2.98Å; H99-I102 PolarHBondContact O-N 2.86Å; H99-I103 HydrophobicContact CB-CD1 4.48Å; H99-I103 WeakPolarHBondContact O-CB 3.43Å; H99-I103 WeakPolarHBondContact O-CG1 3.37Å; H99-I103 PolarHBondContact O-N 2.82Å; H99-V142 VanDerWaalsContact CD2-CG1 3.47Å; H99-V142 WeakPolarHBondContact CD2-CG1 3.48Å; H99-V142 VanDerWaalsContact NE2-CG1 3.34Å; H99-V142 WeakPolarHBondContact NE2-CG1 3.39Å; H99-F146 HydrophobicContact CB-CZ 4.4Å; H99-F226 AromaticContact CE1-CZ 3.65Å; H99-F226 AromaticContact ND1-CZ 3.57Å; H99-D280 IonicContact CD2-OD2 3.04Å; H99-D280 IonicContact NE2-OD2 3.15Å |
| 100 | V | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | R96 P97 G98 S104 G105 F106 E108 F124 I145 | R96-V100 HydrophobicContact CG-CG2 4.31Å; R96-V100 WeakPolarHBondContact O-CG2 3.44Å; R96-V100 PolarHBondContact O-N 2.9Å; P97-V100 PolarHBondContact O-N 2.89Å; G98-V100 PolarHBondContact O-N 2.88Å; V100-S104 WeakPolarHBondContact O-CA 3.5Å; V100-S104 WeakPolarHBondContact O-CB 3.22Å; V100-S104 PolarHBondContact O-N 2.91Å; V100-S104 PolarHBondContact O-OG 3.39Å; V100-G105 PolarHBondContact O-N 3.22Å; V100-F106 HydrophobicContact CG1-CD2 4.45Å; V100-F106 HydrophobicContact CG1-CE1 4.22Å; V100-F106 HydrophobicContact CG1-CE2 3.8Å; V100-F106 HydrophobicContact CG1-CZ 3.66Å; V100-E108 WeakPolarHBondContact CG2-OE2 3.45Å; V100-F124 HydrophobicContact CG1-CZ 4.45Å; V100-F124 HydrophobicContact CG2-CZ 4.13Å; V100-I145 HydrophobicContact CG2-CG2 4.1Å |
| 101 | A | 95.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.033 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P97 G98 H99 I103 G105 F106 Q329 V330 | P97-A101 WeakPolarHBondContact O-CB 3.48Å; P97-A101 PolarHBondContact O-N 2.86Å; G98-A101 PolarHBondContact O-N 2.87Å; H99-A101 VanDerWaalsContact C-N 3.33Å; H99-A101 PolarHBondContact O-N 2.98Å; A101-I103 PolarHBondContact O-N 2.87Å; A101-G105 WeakPolarHBondContact O-CA 3.46Å; A101-G105 PolarHBondContact O-N 3.31Å; A101-F106 VanDerWaalsContact CA-O 3.25Å; A101-F106 WeakPolarHBondContact CA-O 3.36Å; A101-F106 PolarHBondContact N-O 3.3Å; A101-Q329 HydrophobicContact CB-CG 4.24Å; A101-V330 HydrophobicContact CB-CG1 4Å |
| 102 | I | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | -178.9 | -67.3 | 164.2 | 0 | 0 | 0 | 111.6 | L50 V52 G98 H99 T278 D280 Q329 I332 A333 M336 | L50-I102 HydrophobicContact CD1-CG2 4.39Å; L50-I102 HydrophobicContact CD2-CG2 4.12Å; V52-I102 HydrophobicContact CG1-CD1 3.95Å; V52-I102 HydrophobicContact CG2-CD1 4.12Å; V52-I102 HydrophobicContact CG2-CG2 4.47Å; G98-I102 WeakPolarHBondContact O-CD1 3.49Å; G98-I102 VanDerWaalsContact O-CG1 3.23Å; G98-I102 WeakPolarHBondContact O-CG1 3.16Å; G98-I102 PolarHBondContact O-N 2.82Å; H99-I102 PolarHBondContact O-N 2.86Å; I102-T278 HydrophobicContact CD1-CG2 3.87Å; I102-T278 HydrophobicContact CG1-CG2 4.39Å; I102-T278 HydrophobicContact CG2-CG2 4.36Å; I102-D280 HydrophobicContact CD1-CB 4.44Å; I102-Q329 HydrophobicContact CD1-CG 4.32Å; I102-Q329 HydrophobicContact CG1-CG 3.44Å; I102-Q329 VanDerWaalsContact CG1-CG 3.44Å; I102-I332 HydrophobicContact CG1-CD1 4.31Å; I102-I332 HydrophobicContact CG2-CB 4.41Å; I102-I332 HydrophobicContact CG2-CG2 3.97Å; I102-A333 WeakPolarHBondContact O-CA 3.4Å; I102-A333 WeakPolarHBondContact O-CB 3.43Å; I102-A333 PolarHBondContact O-N 3.49Å; I102-M336 HydrophobicContact CG2-CE 4.41Å; I102-M336 WeakPolarHBondContact O-CE 3.43Å |
| 103 | I | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -96.7 | -34.2 | -166.2 | -61.6 | 162.2 | 0 | 0 | 0 | 111.9 | L50 H99 A101 F127 F128 F146 F226 | L50-I103 HydrophobicContact CD2-CD1 4.47Å; L50-I103 HydrophobicContact CD2-CG1 4.05Å; H99-I103 HydrophobicContact CB-CD1 4.48Å; H99-I103 WeakPolarHBondContact O-CB 3.43Å; H99-I103 WeakPolarHBondContact O-CG1 3.37Å; H99-I103 PolarHBondContact O-N 2.82Å; A101-I103 PolarHBondContact O-N 2.87Å; I103-F127 HydrophobicContact CG2-CB 4.29Å; I103-F127 WeakPolarHBondContact O-CB 3.44Å; I103-F127 PolarHBondContact O-N 2.85Å; I103-F128 HydrophobicContact CD1-CE2 3.69Å; I103-F128 HydrophobicContact CD1-CZ 3.65Å; I103-F128 HydrophobicContact CG1-CE2 4.28Å; I103-F128 HydrophobicContact CG1-CZ 3.97Å; I103-F128 HydrophobicContact CG2-CD1 4.16Å; I103-F128 HydrophobicContact CG2-CD2 3.74Å; I103-F128 HydrophobicContact CG2-CE1 4.01Å; I103-F128 HydrophobicContact CG2-CE2 3.6Å; I103-F128 HydrophobicContact CG2-CG 4Å; I103-F128 HydrophobicContact CG2-CZ 3.72Å; I103-F146 HydrophobicContact CB-CE1 3.77Å; I103-F146 HydrophobicContact CB-CE2 4.49Å; I103-F146 HydrophobicContact CB-CZ 3.69Å; I103-F146 HydrophobicContact CD1-CD2 4.33Å; I103-F146 HydrophobicContact CD1-CE1 4.28Å; I103-F146 HydrophobicContact CD1-CE2 3.42Å; I103-F146 VanDerWaalsContact CD1-CE2 3.42Å; I103-F146 HydrophobicContact CD1-CZ 3.4Å; I103-F146 VanDerWaalsContact CD1-CZ 3.4Å; I103-F146 HydrophobicContact CG1-CZ 4.11Å; I103-F146 HydrophobicContact CG2-CD1 4.04Å; I103-F146 HydrophobicContact CG2-CE1 3.63Å; I103-F146 HydrophobicContact CG2-CE2 4.49Å; I103-F146 HydrophobicContact CG2-CZ 3.9Å; I103-F226 HydrophobicContact CD1-CE1 4.05Å; I103-F226 HydrophobicContact CD1-CE2 4.12Å; I103-F226 HydrophobicContact CD1-CZ 3.81Å |
| 104 | S | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -102.1 | -17.8 | -178.1 | -39.8 | 0 | 0 | 0 | 0 | 112.9 | V100 F124 S126 S348 | V100-S104 WeakPolarHBondContact O-CA 3.5Å; V100-S104 WeakPolarHBondContact O-CB 3.22Å; V100-S104 PolarHBondContact O-N 2.91Å; V100-S104 PolarHBondContact O-OG 3.39Å; S104-F124 WeakPolarHBondContact OG-CD2 3.46Å; S104-F124 WeakPolarHBondContact OG-CE2 3.09Å; S104-S126 WeakPolarHBondContact OG-CB 3.45Å; S104-S348 WeakPolarHBondContact O-CA 3.25Å; S104-S348 WeakPolarHBondContact O-CB 3.33Å |
| 105 | G | 96.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 76.8 | 26.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | V100 A101 V330 A333 S348 V349 G350 | V100-G105 PolarHBondContact O-N 3.22Å; A101-G105 WeakPolarHBondContact O-CA 3.46Å; A101-G105 PolarHBondContact O-N 3.31Å; G105-V330 WeakPolarHBondContact CA-O 3.38Å; G105-A333 VanDerWaalsContact CA-CB 3.48Å; G105-S348 CarbonylContact O-C 3.4Å; G105-S348 WeakPolarHBondContact O-CA 3.37Å; G105-S348 PolarHBondContact O-OG 2.54Å; G105-V349 WeakPolarHBondContact O-CG2 3.44Å; G105-V349 PolarHBondContact O-N 2.76Å; G105-G350 PolarHBondContact O-N 3.12Å |
| 106 | F | 94.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -142.1 | 147.4 | 170.1 | 69.6 | -87.5 | 0 | 0 | 0 | 109.7 | L30 V100 A101 F124 N347 V349 | L30-F106 HydrophobicContact CD1-CE2 3.8Å; L30-F106 HydrophobicContact CD1-CZ 3.86Å; L30-F106 HydrophobicContact CD2-CD1 4.32Å; L30-F106 HydrophobicContact CD2-CD2 3.76Å; L30-F106 HydrophobicContact CD2-CE1 4.21Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CD2-CG 4.13Å; L30-F106 HydrophobicContact CD2-CZ 3.96Å; L30-F106 HydrophobicContact CG-CE2 4.26Å; V100-F106 HydrophobicContact CG1-CD2 4.45Å; V100-F106 HydrophobicContact CG1-CE1 4.22Å; V100-F106 HydrophobicContact CG1-CE2 3.8Å; V100-F106 HydrophobicContact CG1-CZ 3.66Å; A101-F106 VanDerWaalsContact CA-O 3.25Å; A101-F106 WeakPolarHBondContact CA-O 3.36Å; A101-F106 PolarHBondContact N-O 3.3Å; F106-F124 HydrophobicContact CE1-CB 3.77Å; F106-F124 AromaticContact CE1-CD2 3.76Å; F106-F124 HydrophobicContact CE1-CD2 3.76Å; F106-F124 AromaticContact CE1-CG 3.79Å; F106-F124 HydrophobicContact CE1-CG 3.79Å; F106-F124 HydrophobicContact CZ-CB 3.72Å; F106-F124 AromaticContact CZ-CD1 3.89Å; F106-F124 HydrophobicContact CZ-CD1 3.89Å; F106-F124 AromaticContact CZ-CD2 3.84Å; F106-F124 HydrophobicContact CZ-CD2 3.84Å; F106-F124 HydrophobicContact CZ-CE1 4.47Å; F106-F124 HydrophobicContact CZ-CE2 4.43Å; F106-F124 AromaticContact CZ-CG 3.53Å; F106-F124 HydrophobicContact CZ-CG 3.53Å; F106-N347 HydrophobicContact CD1-CB 3.94Å; F106-N347 HydrophobicContact CE1-CB 4.04Å; F106-V349 HydrophobicContact CB-CG2 3.93Å |
| 107 | P | 90.3 | Very high | 87.5 | Confident | 42 Ų | 42 | 22.8 Ų | 22.8 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 157.5 | 175.5 | 31 | -35.8 | 0 | 0 | 0 | 110.2 | D109 | P107-D109 PolarHBondContact O-N 2.87Š|
| 108 | E | 86.7 | Confident | 86.5 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 137.4 | 179.9 | -172.1 | 95.2 | 154.9 | 0 | 0 | 112 | R96 P97 V100 V110 A112 N120 W877 | R96-E108 IonicContact CZ-OE1 2.67Å; R96-E108 IonicContact NE-OE1 2.72Å; R96-E108 PolarHBondContact NE-OE1 3.25Å; R96-E108 IonicContact NE-OE2 3.85Å; R96-E108 IonicContact NH2-OE1 3.05Å; R96-E108 PolarHBondContact NH2-OE1 3.34Å; P97-E108 HydrophobicContact CB-CB 3.93Å; P97-E108 HydrophobicContact CG-CB 4.06Å; P97-E108 HydrophobicContact CG-CG 4.4Å; V100-E108 WeakPolarHBondContact CG2-OE2 3.45Å; E108-V110 PolarHBondContact O-N 3.18Å; E108-A112 HydrophobicContact CG-CB 4.18Å; E108-N120 VanDerWaalsContact CD-ND2 3.31Å; E108-N120 PolarHBondContact OE1-ND2 3.01Å; E108-N120 PolarHBondContact OE1-OD1 3.04Å; E108-N120 PolarHBondContact OE2-ND2 3.35Å; E108-N120 PolarHBondContact OE2-OD1 2.67Å; E108-W877 HydrophobicContact CB-CZ2 3.78Å; E108-W877 HydrophobicContact CG-CH2 4.31Å; E108-W877 HydrophobicContact CG-CZ2 3.64Å |
| 109 | D | 87.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 120.1 | 170.8 | -169.8 | -24.2 | 0 | 0 | 0 | 111.4 | S28 P29 L30 P107 S111 A112 N120 | S28-D109 WeakPolarHBondContact CA-OD1 3.19Å; S28-D109 WeakPolarHBondContact CB-OD2 3.47Å; S28-D109 PolarHBondContact OG-OD2 3.18Å; P29-D109 WeakPolarHBondContact CD-OD1 3.33Å; L30-D109 HydrophobicContact CD1-CB 4.2Å; P107-D109 PolarHBondContact O-N 2.87Å; D109-S111 PolarHBondContact O-N 2.92Å; D109-S111 VanDerWaalsContact O-N 3.14Å; D109-S111 VanDerWaalsContact OD1-CB 3.28Å; D109-S111 WeakPolarHBondContact OD1-CB 3.44Å; D109-S111 PolarHBondContact OD1-N 2.99Å; D109-S111 PolarHBondContact OD1-OG 3.16Å; D109-S111 PolarHBondContact OD2-OG 3.48Å; D109-S111 VanDerWaalsContact OD2-OG 3.07Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 2.87Å; D109-N120 WeakPolarHBondContact CB-OD1 3.44Å |
| 110 | V | 85.1 | Confident | 84.7 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -60.8 | -24 | 179 | 72 | 0 | 0 | 0 | 0 | 112.7 | Y26 E108 A112 V113 W117 I880 | Y26-V110 HydrophobicContact CD1-CG2 3.52Å; Y26-V110 HydrophobicContact CE1-CG2 4.05Å; E108-V110 PolarHBondContact O-N 3.18Å; V110-A112 PolarHBondContact O-N 3.11Å; V110-V113 WeakPolarHBondContact O-CB 3.46Å; V110-V113 VanDerWaalsContact O-CG1 3.31Å; V110-V113 WeakPolarHBondContact O-CG1 3.42Å; V110-V113 PolarHBondContact O-N 3.03Å; V110-W117 HydrophobicContact CG2-CH2 4.41Å; V110-I880 HydrophobicContact CG2-CD1 4.38Å |
| 111 | S | 86.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -68.7 | -13.6 | 175 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | Y26 D109 V113 M114 P121 | Y26-S111 WeakPolarHBondContact O-CA 3.34Å; Y26-S111 WeakPolarHBondContact O-CB 3.38Å; D109-S111 PolarHBondContact O-N 2.92Å; D109-S111 VanDerWaalsContact O-N 3.14Å; D109-S111 VanDerWaalsContact OD1-CB 3.28Å; D109-S111 WeakPolarHBondContact OD1-CB 3.44Å; D109-S111 PolarHBondContact OD1-N 2.99Å; D109-S111 PolarHBondContact OD1-OG 3.16Å; D109-S111 PolarHBondContact OD2-OG 3.48Å; D109-S111 VanDerWaalsContact OD2-OG 3.07Å; S111-V113 PolarHBondContact O-N 3.4Å; S111-V113 VanDerWaalsContact O-N 3.08Å; S111-M114 WeakPolarHBondContact O-CB 3.32Å; S111-M114 PolarHBondContact O-N 2.96Å; S111-P121 WeakPolarHBondContact OG-CG 3.37Å |
| 112 | A | 84.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -59.8 | -17 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E108 D109 V110 M114 R115 G116 W117 | E108-A112 HydrophobicContact CG-CB 4.18Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 2.87Å; V110-A112 PolarHBondContact O-N 3.11Å; A112-M114 PolarHBondContact O-N 3.21Å; A112-R115 CarbonylContact O-C 3.47Å; A112-R115 WeakPolarHBondContact O-CA 3.48Å; A112-R115 PolarHBondContact O-N 2.93Å; A112-G116 PolarHBondContact O-N 3.1Å; A112-W117 HydrophobicContact CB-CE3 3.67Å; A112-W117 HydrophobicContact CB-CZ3 4.05Å; A112-W117 WeakPolarHBondContact O-CA 2.92Å; A112-W117 PolarHBondContact O-N 3.19Å |
| 113 | V | 77.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -52.4 | -37.5 | 169.8 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | F22 Y26 V110 S111 R115 G116 W117 I884 | F22-V113 HydrophobicContact CD1-CG1 4.05Å; F22-V113 HydrophobicContact CE1-CG1 4.08Å; Y26-V113 HydrophobicContact CG-CG1 4.17Å; V110-V113 WeakPolarHBondContact O-CB 3.46Å; V110-V113 VanDerWaalsContact O-CG1 3.31Å; V110-V113 WeakPolarHBondContact O-CG1 3.42Å; V110-V113 PolarHBondContact O-N 3.03Å; S111-V113 PolarHBondContact O-N 3.4Å; S111-V113 VanDerWaalsContact O-N 3.08Å; V113-R115 PolarHBondContact O-N 2.94Å; V113-G116 PolarHBondContact O-N 3.12Å; V113-G116 VanDerWaalsContact O-N 3.07Å; V113-W117 HydrophobicContact CB-CD2 4.27Å; V113-W117 HydrophobicContact CB-CE3 4.41Å; V113-W117 HydrophobicContact CB-CH2 3.65Å; V113-W117 HydrophobicContact CB-CZ2 3.44Å; V113-W117 VanDerWaalsContact CB-CZ2 3.44Å; V113-W117 HydrophobicContact CB-CZ3 4.12Å; V113-W117 HydrophobicContact CG2-CH2 4.26Å; V113-W117 HydrophobicContact CG2-CZ2 3.56Å; V113-W117 VanDerWaalsContact N-CE3 3.32Å; V113-I884 HydrophobicContact CG2-CD1 3.84Å |
| 114 | M | 74.8 | Confident | 82.5 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 47% | 0.473 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -68.8 | -18.8 | 178.4 | -65.2 | -172.5 | 176.2 | 0 | 0 | 113.2 | F22 S111 A112 | F22-M114 HydrophobicContact CB-CE 3.42Å; F22-M114 VanDerWaalsContact CB-CE 3.42Å; F22-M114 HydrophobicContact CD1-CE 4.27Å; F22-M114 HydrophobicContact CD1-CG 4.32Å; F22-M114 HydrophobicContact CG-CE 4.11Å; S111-M114 WeakPolarHBondContact O-CB 3.32Å; S111-M114 PolarHBondContact O-N 2.96Å; A112-M114 PolarHBondContact O-N 3.21Å |
| 115 | R | 76.6 | Confident | 82.4 | Confident | 156 Ų | 156 | 48 Ų | 48 | 59% | 0.589 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -99.5 | 17.7 | 175.2 | -61.6 | -61.8 | -171.3 | 176 | 1.5 | 111.9 | A112 V113 W117 R118 P121 | A112-R115 CarbonylContact O-C 3.47Å; A112-R115 WeakPolarHBondContact O-CA 3.48Å; A112-R115 PolarHBondContact O-N 2.93Å; V113-R115 PolarHBondContact O-N 2.94Å; R115-W117 PolarHBondContact O-N 3.4Å; R115-R118 PolarHBondContact O-N 3.29Å; R115-R118 VanDerWaalsContact O-N 3.13Å; R115-P121 HydrophobicContact CG-CB 4.17Å |
| 116 | G | 67.9 | Low | 82.2 | Confident | 51 Ų | 51 | 48 Ų | 48 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 31.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A112 V113 R118 | A112-G116 PolarHBondContact O-N 3.1Å; V113-G116 PolarHBondContact O-N 3.12Å; V113-G116 VanDerWaalsContact O-N 3.07Å; G116-R118 PolarHBondContact O-N 3.41Å |
| 117 | W | 70.9 | Confident | 82.3 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.9 | -176.4 | -49.2 | 112 | 0 | 0 | 0 | 114.4 | R96 V110 A112 V113 R115 W877 | R96-W117 PolarHBondContact NH1-O 2.93Å; R96-W117 PolarHBondContact NH2-O 2.82Å; V110-W117 HydrophobicContact CG2-CH2 4.41Å; A112-W117 HydrophobicContact CB-CE3 3.67Å; A112-W117 HydrophobicContact CB-CZ3 4.05Å; A112-W117 WeakPolarHBondContact O-CA 2.92Å; A112-W117 PolarHBondContact O-N 3.19Å; V113-W117 HydrophobicContact CB-CD2 4.27Å; V113-W117 HydrophobicContact CB-CE3 4.41Å; V113-W117 HydrophobicContact CB-CH2 3.65Å; V113-W117 HydrophobicContact CB-CZ2 3.44Å; V113-W117 VanDerWaalsContact CB-CZ2 3.44Å; V113-W117 HydrophobicContact CB-CZ3 4.12Å; V113-W117 HydrophobicContact CG2-CH2 4.26Å; V113-W117 HydrophobicContact CG2-CZ2 3.56Å; V113-W117 VanDerWaalsContact N-CE3 3.32Å; R115-W117 PolarHBondContact O-N 3.4Å; W117-W877 HydrophobicContact CB-CE3 3.98Å; W117-W877 HydrophobicContact CB-CH2 3.55Å; W117-W877 HydrophobicContact CB-CZ3 3.13Å; W117-W877 AromaticContact CD1-CE3 3.79Å; W117-W877 AromaticContact CD1-CZ3 3.83Å; W117-W877 AromaticContact CD2-CD2 3.68Å; W117-W877 HydrophobicContact CD2-CD2 3.68Å; W117-W877 AromaticContact CD2-CE2 3.89Å; W117-W877 AromaticContact CD2-CE3 3.26Å; W117-W877 HydrophobicContact CD2-CE3 3.26Å; W117-W877 AromaticContact CD2-CH2 3.51Å; W117-W877 HydrophobicContact CD2-CH2 3.51Å; W117-W877 AromaticContact CD2-CZ2 3.85Å; W117-W877 HydrophobicContact CD2-CZ2 3.85Å; W117-W877 AromaticContact CD2-CZ3 3.2Å; W117-W877 HydrophobicContact CD2-CZ3 3.2Å; W117-W877 AromaticContact CE2-CD2 3.74Å; W117-W877 AromaticContact CE2-CE3 3.51Å; W117-W877 AromaticContact CE2-CZ3 3.97Å; W117-W877 AromaticContact CE3-CD2 3.67Å; W117-W877 HydrophobicContact CE3-CD2 3.67Å; W117-W877 AromaticContact CE3-CE2 3.35Å; W117-W877 AromaticContact CE3-CE3 3.65Å; W117-W877 HydrophobicContact CE3-CE3 3.65Å; W117-W877 AromaticContact CE3-CH2 3.17Å; W117-W877 HydrophobicContact CE3-CH2 3.17Å; W117-W877 AromaticContact CE3-CZ2 3.14Å; W117-W877 HydrophobicContact CE3-CZ2 3.14Å; W117-W877 AromaticContact CE3-CZ3 3.44Å; W117-W877 HydrophobicContact CE3-CZ3 3.44Å; W117-W877 VanDerWaalsContact CE3-CZ3 3.44Å; W117-W877 HydrophobicContact CG-CD2 4.34Å; W117-W877 AromaticContact CG-CE3 3.45Å; W117-W877 HydrophobicContact CG-CE3 3.45Å; W117-W877 VanDerWaalsContact CG-CE3 3.45Å; W117-W877 AromaticContact CG-CH2 3.72Å; W117-W877 HydrophobicContact CG-CH2 3.72Å; W117-W877 AromaticContact CG-CZ3 3.11Å; W117-W877 HydrophobicContact CG-CZ3 3.11Å; W117-W877 AromaticContact CH2-CD2 3.8Å; W117-W877 HydrophobicContact CH2-CD2 3.8Å; W117-W877 AromaticContact CH2-CE2 3.69Å; W117-W877 HydrophobicContact CH2-CE3 4.38Å; W117-W877 HydrophobicContact CH2-CG 4.19Å; W117-W877 HydrophobicContact CH2-CZ2 4.3Å; W117-W877 AromaticContact CH2-NE1 3.76Å; W117-W877 AromaticContact CZ2-CD2 3.81Å; W117-W877 HydrophobicContact CZ2-CD2 3.81Å; W117-W877 HydrophobicContact CZ2-CE3 4.07Å; W117-W877 HydrophobicContact CZ2-CG 4.18Å; W117-W877 AromaticContact CZ3-CD2 3.74Å; W117-W877 HydrophobicContact CZ3-CD2 3.74Å; W117-W877 AromaticContact CZ3-CE2 3.25Å; W117-W877 HydrophobicContact CZ3-CE3 4.2Å; W117-W877 AromaticContact CZ3-CH2 3.97Å; W117-W877 HydrophobicContact CZ3-CH2 3.97Å; W117-W877 AromaticContact CZ3-CZ2 3.42Å; W117-W877 HydrophobicContact CZ3-CZ2 3.42Å; W117-W877 VanDerWaalsContact CZ3-CZ2 3.42Å; W117-W877 HydrophobicContact CZ3-CZ3 4.33Å; W117-W877 AromaticContact CZ3-NE1 3.61Å; W117-W877 AromaticContact NE1-CE3 3.83Å |
| 118 | R | 69.1 | Low | 82.5 | Confident | 167 Ų | 167 | 46 Ų | 46 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -93.9 | -25.4 | 175.3 | -64.9 | -175.9 | -179.7 | -172.4 | -2.5 | 112.8 | R96 R115 G116 | R96-R118 PolarHBondContact NH1-O 2.88Å; R115-R118 PolarHBondContact O-N 3.29Å; R115-R118 VanDerWaalsContact O-N 3.13Å; G116-R118 PolarHBondContact O-N 3.41Å |
| 119 | E | 74.4 | Confident | 82.7 | Confident | 95 Ų | 95 | 47 Ų | 47 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -158.8 | 143.3 | -169.4 | -163.3 | -179.1 | 170.5 | 0 | 0 | 110.8 | K148 | E119-K148 WeakPolarHBondContact OE1-CE 3.33Å; E119-K148 IonicContact OE1-NZ 2.74Å; E119-K148 PolarHBondContact OE1-NZ 3.12Å |
| 120 | N | 76.1 | Confident | 83 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | trans | -67.9 | 122.4 | 167.9 | -79 | -54.7 | 0 | 0 | 0 | 109.6 | E108 D109 V122 F124 | E108-N120 VanDerWaalsContact CD-ND2 3.31Å; E108-N120 PolarHBondContact OE1-ND2 3.01Å; E108-N120 PolarHBondContact OE1-OD1 3.04Å; E108-N120 PolarHBondContact OE2-ND2 3.35Å; E108-N120 PolarHBondContact OE2-OD1 2.67Å; D109-N120 WeakPolarHBondContact CB-OD1 3.44Å; N120-V122 PolarHBondContact O-N 3.3Å; N120-F124 HydrophobicContact CB-CD1 4.21Å; N120-F124 HydrophobicContact CB-CE1 3.77Å; N120-F124 WeakPolarHBondContact ND2-CE1 3.45Å | ||
| 121 | P | 76.6 | Confident | 83.4 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.5 | -13.2 | -176.7 | 30 | -33.4 | 0 | 0 | 0 | 112.9 | S111 R115 | S111-P121 WeakPolarHBondContact OG-CG 3.37Å; R115-P121 HydrophobicContact CG-CB 4.17Å |
| 122 | V | 84.8 | Confident | 83.7 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -118.4 | 135.7 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | L30 H32 N120 | L30-V122 HydrophobicContact CB-CG1 4.14Å; L30-V122 HydrophobicContact CD1-CB 4.36Å; L30-V122 HydrophobicContact CD1-CG1 4.44Å; H32-V122 WeakPolarHBondContact CE1-CG1 3.27Å; N120-V122 PolarHBondContact O-N 3.3Å |
| 123 | E | 87.4 | Confident | 84.2 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | trans | -67 | 144.2 | 173.1 | -65.1 | -171.1 | 160.7 | 0 | 0 | 110.3 | H32 | H32-E123 PolarHBondContact NE2-O 2.72Å; H32-E123 VanDerWaalsContact NE2-O 3.1Å | ||
| 124 | F | 90.1 | Very high | 85 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | trans | -140.2 | 155.5 | -179.1 | 56.6 | -94.9 | 0 | 0 | 0 | 111.1 | L30 V100 S104 F106 N120 I145 F146 | L30-F124 HydrophobicContact CD1-CB 4.1Å; V100-F124 HydrophobicContact CG1-CZ 4.45Å; V100-F124 HydrophobicContact CG2-CZ 4.13Å; S104-F124 WeakPolarHBondContact OG-CD2 3.46Å; S104-F124 WeakPolarHBondContact OG-CE2 3.09Å; F106-F124 HydrophobicContact CE1-CB 3.77Å; F106-F124 AromaticContact CE1-CD2 3.76Å; F106-F124 HydrophobicContact CE1-CD2 3.76Å; F106-F124 AromaticContact CE1-CG 3.79Å; F106-F124 HydrophobicContact CE1-CG 3.79Å; F106-F124 HydrophobicContact CZ-CB 3.72Å; F106-F124 AromaticContact CZ-CD1 3.89Å; F106-F124 HydrophobicContact CZ-CD1 3.89Å; F106-F124 AromaticContact CZ-CD2 3.84Å; F106-F124 HydrophobicContact CZ-CD2 3.84Å; F106-F124 HydrophobicContact CZ-CE1 4.47Å; F106-F124 HydrophobicContact CZ-CE2 4.43Å; F106-F124 AromaticContact CZ-CG 3.53Å; F106-F124 HydrophobicContact CZ-CG 3.53Å; N120-F124 HydrophobicContact CB-CD1 4.21Å; N120-F124 HydrophobicContact CB-CE1 3.77Å; N120-F124 WeakPolarHBondContact ND2-CE1 3.45Å; F124-I145 HydrophobicContact CZ-CG2 3.87Å; F124-F146 HydrophobicContact CE2-CD1 4.24Å; F124-F146 HydrophobicContact CE2-CE1 4.12Å | ||
| 125 | D | 92.4 | Very high | 85.8 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | trans | -85.4 | 145.1 | 173.9 | -168.9 | 45 | 0 | 0 | 0 | 111.2 | N129 Q130 P345 A346 N347 | D125-N129 WeakPolarHBondContact OD1-CB 3.48Å; D125-Q130 PolarHBondContact OD1-NE2 2.98Å; D125-Q130 PolarHBondContact OD2-NE2 3.31Å; D125-P345 VanDerWaalsContact OD2-CA 3.32Å; D125-P345 WeakPolarHBondContact OD2-CA 3.27Å; D125-A346 HydrophobicContact CB-CB 3.75Å; D125-A346 WeakPolarHBondContact OD2-CB 3.44Å; D125-A346 PolarHBondContact OD2-N 2.78Å; D125-N347 PolarHBondContact N-OD1 3.43Å | ||
| 126 | S | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -136.1 | 166.9 | -177.8 | 78.6 | 0 | 0 | 0 | 0 | 111.7 | S104 F128 N129 Q130 | S104-S126 WeakPolarHBondContact OG-CB 3.45Å; S126-F128 PolarHBondContact O-N 3.2Å; S126-F128 PolarHBondContact OG-N 3.49Å; S126-N129 VanDerWaalsContact CB-OD1 3.31Å; S126-N129 WeakPolarHBondContact CB-OD1 3.35Å; S126-N129 PolarHBondContact N-OD1 3.41Å; S126-N129 WeakPolarHBondContact O-CB 3.45Å; S126-N129 PolarHBondContact O-N 2.99Å; S126-N129 PolarHBondContact OG-N 3.36Å; S126-N129 PolarHBondContact OG-OD1 3.05Å; S126-Q130 PolarHBondContact O-N 3.09Å | ||
| 127 | F | 95.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -34.9 | 174.2 | 166.6 | -105.9 | 0 | 0 | 0 | 112.3 | L48 I103 Q130 S131 A224 M336 I340 A342 P345 | L48-F127 HydrophobicContact CB-CZ 4.34Å; L48-F127 HydrophobicContact CD2-CE1 3.62Å; L48-F127 HydrophobicContact CD2-CE2 4.39Å; L48-F127 HydrophobicContact CD2-CZ 3.45Å; L48-F127 VanDerWaalsContact CD2-CZ 3.45Å; I103-F127 HydrophobicContact CG2-CB 4.29Å; I103-F127 WeakPolarHBondContact O-CB 3.44Å; I103-F127 PolarHBondContact O-N 2.85Å; F127-Q130 CarbonylContact O-C 3.6Å; F127-Q130 PolarHBondContact O-N 3.38Å; F127-S131 PolarHBondContact O-N 3.13Å; F127-A224 HydrophobicContact CE1-CB 3.66Å; F127-A224 HydrophobicContact CZ-CB 4.16Å; F127-M336 HydrophobicContact CB-CE 4.17Å; F127-M336 HydrophobicContact CD1-CB 4.33Å; F127-M336 HydrophobicContact CD1-CE 4Å; F127-M336 HydrophobicContact CD1-SD 4.14Å; F127-M336 HydrophobicContact CD2-CB 3.79Å; F127-M336 HydrophobicContact CE1-CB 4.25Å; F127-M336 HydrophobicContact CE1-SD 4.22Å; F127-M336 HydrophobicContact CE2-CB 3.67Å; F127-M336 HydrophobicContact CG-CB 4.11Å; F127-M336 HydrophobicContact CG-CE 4.09Å; F127-M336 HydrophobicContact CZ-CB 3.9Å; F127-I340 HydrophobicContact CE2-CD1 3.45Å; F127-I340 VanDerWaalsContact CE2-CD1 3.45Å; F127-I340 HydrophobicContact CE2-CG1 3.92Å; F127-I340 HydrophobicContact CZ-CD1 3.34Å; F127-I340 HydrophobicContact CZ-CG1 4.17Å; F127-A342 HydrophobicContact CE2-CB 4.32Å; F127-P345 HydrophobicContact CB-CG 4.36Å |
| 128 | F | 94.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 177.7 | -58.2 | -27.6 | 0 | 0 | 0 | 112.4 | I103 S126 Q130 S131 T134 F146 H154 I155 A224 F226 | I103-F128 HydrophobicContact CD1-CE2 3.69Å; I103-F128 HydrophobicContact CD1-CZ 3.65Å; I103-F128 HydrophobicContact CG1-CE2 4.28Å; I103-F128 HydrophobicContact CG1-CZ 3.97Å; I103-F128 HydrophobicContact CG2-CD1 4.16Å; I103-F128 HydrophobicContact CG2-CD2 3.74Å; I103-F128 HydrophobicContact CG2-CE1 4.01Å; I103-F128 HydrophobicContact CG2-CE2 3.6Å; I103-F128 HydrophobicContact CG2-CG 4Å; I103-F128 HydrophobicContact CG2-CZ 3.72Å; S126-F128 PolarHBondContact O-N 3.2Å; S126-F128 PolarHBondContact OG-N 3.49Å; F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.1Å; F128-S131 WeakPolarHBondContact O-CB 3.5Å; F128-S131 PolarHBondContact O-N 2.76Å; F128-S131 PolarHBondContact O-OG 2.94Å; F128-T134 HydrophobicContact CB-CG2 4.27Å; F128-T134 HydrophobicContact CD1-CG2 3.71Å; F128-T134 HydrophobicContact CD2-CG2 4.25Å; F128-T134 HydrophobicContact CE1-CG2 4.1Å; F128-T134 HydrophobicContact CG-CG2 3.83Å; F128-F146 HydrophobicContact CD2-CB 3.81Å; F128-F146 HydrophobicContact CD2-CD1 4.24Å; F128-F146 AromaticContact CD2-CD2 3.95Å; F128-F146 HydrophobicContact CD2-CD2 3.95Å; F128-F146 AromaticContact CD2-CG 3.72Å; F128-F146 HydrophobicContact CD2-CG 3.72Å; F128-F146 HydrophobicContact CE2-CB 4.48Å; F128-F146 AromaticContact CE2-CD2 3.77Å; F128-F146 HydrophobicContact CE2-CD2 3.77Å; F128-F146 HydrophobicContact CE2-CE2 4.17Å; F128-F146 HydrophobicContact CE2-CG 4.03Å; F128-H154 PolarHBondContact O-CE1 3.42Å; F128-H154 VanDerWaalsContact O-CE1 3.23Å; F128-I155 HydrophobicContact CB-CD1 3.81Å; F128-I155 HydrophobicContact CB-CG1 4.43Å; F128-A224 HydrophobicContact CD1-CB 4.38Å; F128-F226 HydrophobicContact CE1-CB 4.05Å; F128-F226 HydrophobicContact CE1-CG 4.38Å; F128-F226 HydrophobicContact CE2-CB 4.39Å; F128-F226 AromaticContact CE2-CD1 3.66Å; F128-F226 HydrophobicContact CE2-CD1 3.66Å; F128-F226 HydrophobicContact CE2-CE1 4.17Å; F128-F226 HydrophobicContact CE2-CG 4.11Å; F128-F226 HydrophobicContact CZ-CB 3.59Å; F128-F226 AromaticContact CZ-CD1 3.54Å; F128-F226 HydrophobicContact CZ-CD1 3.54Å; F128-F226 HydrophobicContact CZ-CD2 4.14Å; F128-F226 HydrophobicContact CZ-CE1 4.24Å; F128-F226 AromaticContact CZ-CG 3.48Å; F128-F226 HydrophobicContact CZ-CG 3.48Å; F128-F226 VanDerWaalsContact CZ-CG 3.48Å |
| 129 | N | 92.2 | Very high | 89.5 | Confident | 35 Ų | 35 | 32.6 Ų | 32.6 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 174 | -59 | 109.2 | 0 | 0 | 0 | 112 | D125 S126 S151 H154 | D125-N129 WeakPolarHBondContact OD1-CB 3.48Å; S126-N129 VanDerWaalsContact CB-OD1 3.31Å; S126-N129 WeakPolarHBondContact CB-OD1 3.35Å; S126-N129 PolarHBondContact N-OD1 3.41Å; S126-N129 WeakPolarHBondContact O-CB 3.45Å; S126-N129 PolarHBondContact O-N 2.99Å; S126-N129 PolarHBondContact OG-N 3.36Å; S126-N129 PolarHBondContact OG-OD1 3.05Å; N129-S151 PolarHBondContact ND2-OG 2.93Å; N129-H154 PolarHBondContact O-CE1 2.94Å |
| 130 | Q | 93.1 | Very high | 90 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86 | -11.3 | 177.5 | -59.3 | -53.1 | -39.4 | 0 | 0 | 113.9 | D125 S126 F127 F128 A342 A343 | D125-Q130 PolarHBondContact OD1-NE2 2.98Å; D125-Q130 PolarHBondContact OD2-NE2 3.31Å; S126-Q130 PolarHBondContact O-N 3.09Å; F127-Q130 CarbonylContact O-C 3.6Å; F127-Q130 PolarHBondContact O-N 3.38Å; F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.1Å; Q130-A342 HydrophobicContact CB-CB 4.17Å; Q130-A342 WeakPolarHBondContact O-CB 3.3Å; Q130-A343 HydrophobicContact CB-CB 4.49Å; Q130-A343 VanDerWaalsContact CB-O 3.29Å; Q130-A343 WeakPolarHBondContact CB-O 3.32Å; Q130-A343 HydrophobicContact CG-CB 4.33Å; Q130-A343 WeakPolarHBondContact CG-O 3.37Å |
| 131 | S | 93.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -74.4 | 156.3 | 171.6 | 83.9 | 0 | 0 | 0 | 0 | 111.1 | F127 F128 T134 H154 | F127-S131 PolarHBondContact O-N 3.13Å; F128-S131 WeakPolarHBondContact O-CB 3.5Å; F128-S131 PolarHBondContact O-N 2.76Å; F128-S131 PolarHBondContact O-OG 2.94Å; S131-T134 PolarHBondContact OG-OG1 2.89Å; S131-H154 PolarHBondContact O-CE1 3.31Å; S131-H154 PolarHBondContact O-ND1 3.43Å |
| 132 | R | 93.4 | Very high | 90.8 | Very high | 104 Ų | 104 | 34.1 Ų | 34.1 | 39% | 0.392 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -73.8 | -49.7 | 173.8 | -178.5 | -177.9 | -72.5 | -84.8 | -6.6 | 111.4 | H154 N221 K222 | R132-H154 WeakPolarHBondContact O-CB 3.44Å; R132-H154 PolarHBondContact O-ND1 3.3Å; R132-N221 WeakPolarHBondContact CB-O 3.41Å; R132-N221 WeakPolarHBondContact CD-O 3.49Å; R132-N221 PolarHBondContact NE-O 2.73Å; R132-N221 PolarHBondContact NE-OD1 2.84Å; R132-N221 PolarHBondContact NH2-OD1 3.43Å; R132-K222 HydrophobicContact CB-CB 3.92Å; R132-K222 PolarHBondContact N-O 2.98Å |
| 133 | Y | 93.7 | Very high | 91 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 21% | 0.208 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.6 | 173.3 | -63.4 | -65.5 | 0 | 0 | 0 | 109.4 | W135 H154 F156 M217 I223 A224 | Y133-W135 VanDerWaalsContact CB-CH2 3.42Å; Y133-W135 VanDerWaalsContact CB-CZ3 3.42Å; Y133-W135 HydrophobicContact CD2-CH2 4.26Å; Y133-W135 AromaticContact CG-CH2 3.95Å; Y133-W135 HydrophobicContact CG-CH2 3.95Å; Y133-W135 HydrophobicContact CG-CZ3 4.41Å; Y133-H154 VanDerWaalsContact CA-O 3.32Å; Y133-H154 WeakPolarHBondContact CA-O 3.42Å; Y133-H154 HydrophobicContact CD1-CB 3.79Å; Y133-H154 HydrophobicContact CE1-CB 4.11Å; Y133-F156 AromaticContact CD1-CE2 3.84Å; Y133-F156 HydrophobicContact CD1-CE2 3.84Å; Y133-F156 HydrophobicContact CD1-CZ 4.5Å; Y133-M217 HydrophobicContact CD1-CE 3.57Å; Y133-M217 HydrophobicContact CD2-CB 4.01Å; Y133-M217 HydrophobicContact CD2-CE 4.25Å; Y133-M217 HydrophobicContact CD2-CG 4.45Å; Y133-M217 HydrophobicContact CE1-CE 3.38Å; Y133-M217 HydrophobicContact CE2-CB 3.96Å; Y133-M217 HydrophobicContact CE2-CE 4.08Å; Y133-M217 HydrophobicContact CE2-CG 3.97Å; Y133-M217 HydrophobicContact CG-CE 4.02Å; Y133-I223 HydrophobicContact CD2-CD1 3.87Å; Y133-I223 HydrophobicContact CG-CD1 4.41Å; Y133-A224 PolarHBondContact O-N 3.23Å |
| 134 | T | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.1 | 174 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | F128 S131 H154 I155 F156 A224 | F128-T134 HydrophobicContact CB-CG2 4.27Å; F128-T134 HydrophobicContact CD1-CG2 3.71Å; F128-T134 HydrophobicContact CD2-CG2 4.25Å; F128-T134 HydrophobicContact CE1-CG2 4.1Å; F128-T134 HydrophobicContact CG-CG2 3.83Å; S131-T134 PolarHBondContact OG-OG1 2.89Å; T134-H154 PolarHBondContact N-O 3.05Å; T134-I155 HydrophobicContact CG2-CG2 4.28Å; T134-I155 WeakPolarHBondContact O-CA 3.33Å; T134-F156 PolarHBondContact O-N 2.96Å; T134-A224 VanDerWaalsContact CA-O 3.3Å; T134-A224 WeakPolarHBondContact CA-O 3.45Å; T134-A224 HydrophobicContact CG2-CB 4.37Å |
| 135 | W | 93.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.2 | 165.6 | -68.7 | -95.3 | 0 | 0 | 0 | 110.2 | Y133 W137 F156 L214 M217 V218 I223 A224 F225 F226 | Y133-W135 VanDerWaalsContact CB-CH2 3.42Å; Y133-W135 VanDerWaalsContact CB-CZ3 3.42Å; Y133-W135 HydrophobicContact CD2-CH2 4.26Å; Y133-W135 AromaticContact CG-CH2 3.95Å; Y133-W135 HydrophobicContact CG-CH2 3.95Å; Y133-W135 HydrophobicContact CG-CZ3 4.41Å; W135-W137 HydrophobicContact CB-CH2 3.31Å; W135-W137 HydrophobicContact CB-CZ2 3.83Å; W135-W137 HydrophobicContact CB-CZ3 3.72Å; W135-W137 HydrophobicContact CG-CH2 4.19Å; W135-W137 HydrophobicContact CG-CZ2 4.46Å; W135-W137 WeakPolarHBondContact O-CZ3 3.42Å; W135-F156 CarbonylContact C-O 3.55Å; W135-F156 WeakPolarHBondContact CA-O 3.26Å; W135-F156 AromaticContact CD1-CD2 3.93Å; W135-F156 AromaticContact CD1-CG 3.97Å; W135-F156 HydrophobicContact CD2-CD2 4.19Å; W135-F156 AromaticContact CE2-CD2 3.61Å; W135-F156 HydrophobicContact CG-CB 4.2Å; W135-F156 HydrophobicContact CG-CD2 4.36Å; W135-F156 AromaticContact CZ2-CD2 3.99Å; W135-F156 HydrophobicContact CZ2-CD2 3.99Å; W135-F156 HydrophobicContact CZ2-CE2 4.04Å; W135-F156 AromaticContact NE1-CD2 3.43Å; W135-F156 AromaticContact NE1-CG 3.7Å; W135-L214 HydrophobicContact CZ2-CD1 3.59Å; W135-M217 HydrophobicContact CH2-CB 3.93Å; W135-M217 HydrophobicContact CZ2-CB 4.2Å; W135-M217 HydrophobicContact CZ2-CE 4.11Å; W135-V218 HydrophobicContact CE3-CG1 4.36Å; W135-V218 HydrophobicContact CH2-CG1 3.59Å; W135-V218 HydrophobicContact CZ2-CG1 3.96Å; W135-V218 HydrophobicContact CZ3-CG1 3.81Å; W135-I223 HydrophobicContact CE3-CG2 4.3Å; W135-I223 HydrophobicContact CZ3-CD1 4.28Å; W135-I223 HydrophobicContact CZ3-CG2 3.83Å; W135-A224 PolarHBondContact N-O 2.73Å; W135-F225 HydrophobicContact CB-CD1 4.09Å; W135-F225 HydrophobicContact CB-CE1 4.39Å; W135-F225 HydrophobicContact CD2-CE1 4.29Å; W135-F225 HydrophobicContact CE3-CD1 4.31Å; W135-F225 AromaticContact CE3-CE1 3.79Å; W135-F225 HydrophobicContact CE3-CE1 3.79Å; W135-F225 HydrophobicContact CE3-CZ 4.39Å; W135-F225 HydrophobicContact CZ3-CE1 4.5Å; W135-F225 WeakPolarHBondContact O-CA 3.4Å; W135-F226 PolarHBondContact O-N 3.31Å |
| 136 | S | 93.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.5 | 177.5 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | F156 T157 H158 F226 | S136-F156 PolarHBondContact N-O 3.31Å; S136-T157 WeakPolarHBondContact O-CA 3.34Å; S136-T157 WeakPolarHBondContact OG-CG2 3.33Å; S136-H158 PolarHBondContact O-N 2.78Å; S136-F226 VanDerWaalsContact CA-O 3.22Å; S136-F226 WeakPolarHBondContact CA-O 3.35Å |
| 137 | W | 92.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 28 Ų | 28 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 123.3 | -179.1 | -57 | -96.8 | 0 | 0 | 0 | 109.5 | W135 H158 W177 V178 K181 F182 F225 F226 L227 P228 | W135-W137 HydrophobicContact CB-CH2 3.31Å; W135-W137 HydrophobicContact CB-CZ2 3.83Å; W135-W137 HydrophobicContact CB-CZ3 3.72Å; W135-W137 HydrophobicContact CG-CH2 4.19Å; W135-W137 HydrophobicContact CG-CZ2 4.46Å; W135-W137 WeakPolarHBondContact O-CZ3 3.42Å; W137-H158 WeakPolarHBondContact CA-O 3.49Å; W137-H158 AromaticContact CD1-CD2 3.9Å; W137-H158 HydrophobicContact CG-CB 4.37Å; W137-H158 AromaticContact NE1-CD2 3.54Å; W137-W177 HydrophobicContact CB-CZ3 4.33Å; W137-V178 HydrophobicContact CB-CG1 4.16Å; W137-V178 WeakPolarHBondContact O-CG1 3.47Å; W137-K181 HydrophobicContact CG-CB 4.42Å; W137-F182 HydrophobicContact CD2-CD2 4.48Å; W137-F182 AromaticContact CE3-CD2 3.88Å; W137-F182 HydrophobicContact CE3-CD2 3.88Å; W137-F182 AromaticContact CH2-CD2 3.64Å; W137-F182 HydrophobicContact CH2-CD2 3.64Å; W137-F182 AromaticContact CH2-CE2 3.88Å; W137-F182 HydrophobicContact CH2-CE2 3.88Å; W137-F182 HydrophobicContact CZ2-CD2 4.29Å; W137-F182 AromaticContact CZ3-CD2 3.43Å; W137-F182 HydrophobicContact CZ3-CD2 3.43Å; W137-F182 VanDerWaalsContact CZ3-CD2 3.43Å; W137-F182 AromaticContact CZ3-CE2 3.76Å; W137-F182 HydrophobicContact CZ3-CE2 3.76Å; W137-F225 AromaticContact CH2-CD1 3.82Å; W137-F225 HydrophobicContact CH2-CD1 3.82Å; W137-F225 HydrophobicContact CH2-CE1 4.34Å; W137-F225 HydrophobicContact CZ3-CB 4.49Å; W137-F225 AromaticContact CZ3-CD1 3.99Å; W137-F225 HydrophobicContact CZ3-CD1 3.99Å; W137-F226 PolarHBondContact N-O 3.2Å; W137-L227 HydrophobicContact CE3-CG 4.4Å; W137-P228 WeakPolarHBondContact O-CD 3.43Å |
| 138 | G | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -149.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H158 S159 F160 | G138-H158 PolarHBondContact N-O 2.82Å; G138-S159 WeakPolarHBondContact O-CA 3.48Å; G138-F160 VanDerWaalsContact C-CE1 3.41Å; G138-F160 WeakPolarHBondContact O-CD1 3.2Å; G138-F160 PolarHBondContact O-N 2.96Å |
| 139 | D | 86.8 | Confident | 87.1 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | trans | -68.1 | 134 | 179.4 | -174.3 | 1.2 | 0 | 0 | 0 | 111.1 | S141 V142 I143 F160 | D139-S141 VanDerWaalsContact CG-OG 3.23Å; D139-S141 PolarHBondContact O-N 3.19Å; D139-S141 PolarHBondContact OD1-N 3Å; D139-S141 WeakPolarHBondContact OD2-CB 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.49Å; D139-V142 HydrophobicContact CB-CG2 4.32Å; D139-V142 PolarHBondContact O-N 3.04Å; D139-V142 VanDerWaalsContact O-N 3.15Å; D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 2.91Å; D139-F160 HydrophobicContact CB-CE1 3.97Å; D139-F160 HydrophobicContact CB-CZ 3.64Å; D139-F160 VanDerWaalsContact N-CE1 3.29Å | ||
| 140 | H | 84.5 | Confident | 85.4 | Confident | 118 Ų | 118 | 39.9 Ų | 39.9 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.6 | -36.1 | 171.9 | -180 | -87.5 | 0 | 0 | 0 | 112.1 | V142 G144 | H140-V142 PolarHBondContact O-N 3.47Å; H140-G144 WeakPolarHBondContact O-CA 3.29Å; H140-G144 PolarHBondContact O-N 3.28Å |
| 141 | S | 81.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -30.2 | 180 | 84.3 | 0 | 0 | 0 | 0 | 112.7 | D139 I145 | D139-S141 VanDerWaalsContact CG-OG 3.23Å; D139-S141 PolarHBondContact O-N 3.19Å; D139-S141 PolarHBondContact OD1-N 3Å; D139-S141 WeakPolarHBondContact OD2-CB 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.49Å; S141-I145 WeakPolarHBondContact O-CG1 3.25Å |
| 142 | V | 87.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -90.5 | -55.4 | 179.8 | 175 | 0 | 0 | 0 | 0 | 111.4 | T95 H99 D139 H140 G144 I145 F226 P228 | T95-V142 HydrophobicContact CG2-CG2 3.62Å; H99-V142 VanDerWaalsContact CD2-CG1 3.47Å; H99-V142 WeakPolarHBondContact CD2-CG1 3.48Å; H99-V142 VanDerWaalsContact NE2-CG1 3.34Å; H99-V142 WeakPolarHBondContact NE2-CG1 3.39Å; D139-V142 HydrophobicContact CB-CG2 4.32Å; D139-V142 PolarHBondContact O-N 3.04Å; D139-V142 VanDerWaalsContact O-N 3.15Å; H140-V142 PolarHBondContact O-N 3.47Å; V142-G144 PolarHBondContact O-N 2.93Å; V142-I145 WeakPolarHBondContact O-CB 3.45Å; V142-I145 VanDerWaalsContact O-CD1 3.32Å; V142-I145 WeakPolarHBondContact O-CD1 3.18Å; V142-I145 WeakPolarHBondContact O-CG1 3.36Å; V142-I145 PolarHBondContact O-N 3.4Å; V142-F226 HydrophobicContact CG1-CE1 4.13Å; V142-F226 HydrophobicContact CG1-CZ 4.02Å; V142-P228 HydrophobicContact CG1-CB 3.92Å; V142-P228 HydrophobicContact CG1-CG 4.1Å |
| 143 | I | 88.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.5 | -24.8 | -175.4 | 71.1 | -168.2 | 0 | 0 | 0 | 112 | D139 I145 T157 F226 P228 | D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 2.91Å; I143-I145 VanDerWaalsContact C-N 3.28Å; I143-I145 PolarHBondContact O-N 3.35Å; I143-T157 HydrophobicContact CB-CG2 4.28Å; I143-T157 HydrophobicContact CG1-CG2 4.3Å; I143-F226 HydrophobicContact CG2-CD1 4.49Å; I143-F226 HydrophobicContact CG2-CE1 4.25Å; I143-P228 HydrophobicContact CG2-CG 3.88Å |
| 144 | G | 86.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -70.2 | -18.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H140 V142 F146 L147 | H140-G144 WeakPolarHBondContact O-CA 3.29Å; H140-G144 PolarHBondContact O-N 3.28Å; V142-G144 PolarHBondContact O-N 2.93Å; G144-F146 VanDerWaalsContact C-N 3.26Å; G144-F146 PolarHBondContact O-N 3.12Å; G144-L147 PolarHBondContact O-N 3.32Å |
| 145 | I | 86.1 | Confident | 81.3 | Confident | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -57.4 | -42.5 | 179.2 | -62.6 | 162.5 | 0 | 0 | 0 | 110.7 | R96 V100 F124 S141 V142 I143 | R96-I145 HydrophobicContact CB-CD1 4.12Å; R96-I145 HydrophobicContact CG-CD1 3.67Å; R96-I145 HydrophobicContact CG-CG1 4.3Å; V100-I145 HydrophobicContact CG2-CG2 4.1Å; F124-I145 HydrophobicContact CZ-CG2 3.87Å; S141-I145 WeakPolarHBondContact O-CG1 3.25Å; V142-I145 WeakPolarHBondContact O-CB 3.45Å; V142-I145 VanDerWaalsContact O-CD1 3.32Å; V142-I145 WeakPolarHBondContact O-CD1 3.18Å; V142-I145 WeakPolarHBondContact O-CG1 3.36Å; V142-I145 PolarHBondContact O-N 3.4Å; I143-I145 VanDerWaalsContact C-N 3.28Å; I143-I145 PolarHBondContact O-N 3.35Å |
| 146 | F | 86.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -94 | 3.2 | -170.5 | -52.4 | -77.5 | 0 | 0 | 0 | 114.1 | H99 I103 F124 F128 G144 I155 | H99-F146 HydrophobicContact CB-CZ 4.4Å; I103-F146 HydrophobicContact CB-CE1 3.77Å; I103-F146 HydrophobicContact CB-CE2 4.49Å; I103-F146 HydrophobicContact CB-CZ 3.69Å; I103-F146 HydrophobicContact CD1-CD2 4.33Å; I103-F146 HydrophobicContact CD1-CE1 4.28Å; I103-F146 HydrophobicContact CD1-CE2 3.42Å; I103-F146 VanDerWaalsContact CD1-CE2 3.42Å; I103-F146 HydrophobicContact CD1-CZ 3.4Å; I103-F146 VanDerWaalsContact CD1-CZ 3.4Å; I103-F146 HydrophobicContact CG1-CZ 4.11Å; I103-F146 HydrophobicContact CG2-CD1 4.04Å; I103-F146 HydrophobicContact CG2-CE1 3.63Å; I103-F146 HydrophobicContact CG2-CE2 4.49Å; I103-F146 HydrophobicContact CG2-CZ 3.9Å; F124-F146 HydrophobicContact CE2-CD1 4.24Å; F124-F146 HydrophobicContact CE2-CE1 4.12Å; F128-F146 HydrophobicContact CD2-CB 3.81Å; F128-F146 HydrophobicContact CD2-CD1 4.24Å; F128-F146 AromaticContact CD2-CD2 3.95Å; F128-F146 HydrophobicContact CD2-CD2 3.95Å; F128-F146 AromaticContact CD2-CG 3.72Å; F128-F146 HydrophobicContact CD2-CG 3.72Å; F128-F146 HydrophobicContact CE2-CB 4.48Å; F128-F146 AromaticContact CE2-CD2 3.77Å; F128-F146 HydrophobicContact CE2-CD2 3.77Å; F128-F146 HydrophobicContact CE2-CE2 4.17Å; F128-F146 HydrophobicContact CE2-CG 4.03Å; G144-F146 VanDerWaalsContact C-N 3.26Å; G144-F146 PolarHBondContact O-N 3.12Å; F146-I155 WeakPolarHBondContact O-CD1 3.36Å |
| 147 | L | 80.7 | Confident | 80.9 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -84 | -7.2 | -179.9 | -78.8 | 178.8 | 0 | 0 | 0 | 114.5 | G144 I155 T157 | G144-L147 PolarHBondContact O-N 3.32Å; L147-I155 HydrophobicContact CD2-CB 4.34Å; L147-I155 HydrophobicContact CD2-CG2 4.05Å; L147-T157 HydrophobicContact CD1-CG2 3.84Å; L147-T157 HydrophobicContact CD2-CG2 3.6Å; L147-T157 HydrophobicContact CG-CG2 3.78Å |
| 148 | K | 69.9 | Low | 80.7 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | trans | -75.6 | 156 | -175 | -62.1 | -179.3 | -168 | 164.5 | 0 | 111.9 | E119 S151 | E119-K148 WeakPolarHBondContact OE1-CE 3.33Å; E119-K148 IonicContact OE1-NZ 2.74Å; E119-K148 PolarHBondContact OE1-NZ 3.12Å; K148-S151 PolarHBondContact O-OG 3.32Å | ||
| 149 | G | 62.1 | Low | 80.5 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | 77.6 | -153.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | S151 | G149-S151 PolarHBondContact O-N 3.32Å; G149-S151 VanDerWaalsContact O-N 3.13Å |
| 150 | N | 55.3 | Low | 80.3 | Confident | 166 Ų | 166 | 55 Ų | 55 | 89% | 0.888 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -74.2 | 8.4 | -179.7 | -78.9 | -21.1 | 0 | 0 | 0 | 114.4 | K152 | N150-K152 VanDerWaalsContact C-N 3.28Å; N150-K152 PolarHBondContact O-N 3.44Å |
| 151 | S | 61.9 | Low | 80 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -74.4 | -11.3 | -171.7 | -35.2 | 0 | 0 | 0 | 0 | 114.4 | N129 K148 G149 N153 H154 I155 | N129-S151 PolarHBondContact ND2-OG 2.93Å; K148-S151 PolarHBondContact O-OG 3.32Å; G149-S151 PolarHBondContact O-N 3.32Å; G149-S151 VanDerWaalsContact O-N 3.13Å; S151-N153 PolarHBondContact O-N 3.45Å; S151-H154 PolarHBondContact O-CD2 2.87Å; S151-H154 PolarHBondContact O-N 3.35Å; S151-I155 PolarHBondContact O-N 3.41Å |
| 152 | K | 63.1 | Low | 79.5 | Confident | 157 Ų | 157 | 55 Ų | 55 | 68% | 0.683 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -62.2 | -18.2 | -170.4 | -68 | -173 | 178.7 | -178.9 | 0 | 115.1 | N150 | N150-K152 VanDerWaalsContact C-N 3.28Å; N150-K152 PolarHBondContact O-N 3.44Å |
| 153 | N | 78.4 | Confident | 78.6 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 76% | 0.759 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -88.5 | -14.4 | -173.7 | -68.3 | -8.8 | 0 | 0 | 0 | 114.3 | S151 | S151-N153 PolarHBondContact O-N 3.45Š|
| 154 | H | 88.8 | Confident | 77.7 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 18% | 0.181 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -2.3 | -174 | 74.6 | 112.7 | 0 | 0 | 0 | 115.2 | F128 N129 S131 R132 Y133 T134 S151 | F128-H154 PolarHBondContact O-CE1 3.42Å; F128-H154 VanDerWaalsContact O-CE1 3.23Å; N129-H154 PolarHBondContact O-CE1 2.94Å; S131-H154 PolarHBondContact O-CE1 3.31Å; S131-H154 PolarHBondContact O-ND1 3.43Å; R132-H154 WeakPolarHBondContact O-CB 3.44Å; R132-H154 PolarHBondContact O-ND1 3.3Å; Y133-H154 VanDerWaalsContact CA-O 3.32Å; Y133-H154 WeakPolarHBondContact CA-O 3.42Å; Y133-H154 HydrophobicContact CD1-CB 3.79Å; Y133-H154 HydrophobicContact CE1-CB 4.11Å; T134-H154 PolarHBondContact N-O 3.05Å; S151-H154 PolarHBondContact O-CD2 2.87Å; S151-H154 PolarHBondContact O-N 3.35Å |
| 155 | I | 89.6 | Confident | 76.4 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117 | 172.4 | -55.2 | -179.6 | 0 | 0 | 0 | 108.3 | F128 T134 F146 L147 S151 T157 | F128-I155 HydrophobicContact CB-CD1 3.81Å; F128-I155 HydrophobicContact CB-CG1 4.43Å; T134-I155 HydrophobicContact CG2-CG2 4.28Å; T134-I155 WeakPolarHBondContact O-CA 3.33Å; F146-I155 WeakPolarHBondContact O-CD1 3.36Å; L147-I155 HydrophobicContact CD2-CB 4.34Å; L147-I155 HydrophobicContact CD2-CG2 4.05Å; S151-I155 PolarHBondContact O-N 3.41Å; I155-T157 HydrophobicContact CG2-CG2 4.1Å |
| 156 | F | 89.4 | Confident | 75 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.8 | -178.6 | -56.7 | -80.2 | 0 | 0 | 0 | 109.9 | Y133 T134 W135 S136 L209 M217 | Y133-F156 AromaticContact CD1-CE2 3.84Å; Y133-F156 HydrophobicContact CD1-CE2 3.84Å; Y133-F156 HydrophobicContact CD1-CZ 4.5Å; T134-F156 PolarHBondContact O-N 2.96Å; W135-F156 CarbonylContact C-O 3.55Å; W135-F156 WeakPolarHBondContact CA-O 3.26Å; W135-F156 AromaticContact CD1-CD2 3.93Å; W135-F156 AromaticContact CD1-CG 3.97Å; W135-F156 HydrophobicContact CD2-CD2 4.19Å; W135-F156 AromaticContact CE2-CD2 3.61Å; W135-F156 HydrophobicContact CG-CB 4.2Å; W135-F156 HydrophobicContact CG-CD2 4.36Å; W135-F156 AromaticContact CZ2-CD2 3.99Å; W135-F156 HydrophobicContact CZ2-CD2 3.99Å; W135-F156 HydrophobicContact CZ2-CE2 4.04Å; W135-F156 AromaticContact NE1-CD2 3.43Å; W135-F156 AromaticContact NE1-CG 3.7Å; S136-F156 PolarHBondContact N-O 3.31Å; F156-L209 HydrophobicContact CE1-CD1 4.36Å; F156-M217 HydrophobicContact CE2-CE 3.55Å; F156-M217 HydrophobicContact CZ-CE 3.55Å |
| 157 | T | 88.8 | Confident | 73.4 | Confident | 44 Ų | 44 | 73 Ų | 73 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | -174.3 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | S136 I143 L147 I155 | S136-T157 WeakPolarHBondContact O-CA 3.34Å; S136-T157 WeakPolarHBondContact OG-CG2 3.33Å; I143-T157 HydrophobicContact CB-CG2 4.28Å; I143-T157 HydrophobicContact CG1-CG2 4.3Å; L147-T157 HydrophobicContact CD1-CG2 3.84Å; L147-T157 HydrophobicContact CD2-CG2 3.6Å; L147-T157 HydrophobicContact CG-CG2 3.78Å; I155-T157 HydrophobicContact CG2-CG2 4.1Å |
| 158 | H | 87.9 | Confident | 72.2 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 105.9 | 173 | -66.2 | -78.4 | 0 | 0 | 0 | 109.9 | S136 W137 G138 W177 | S136-H158 PolarHBondContact O-N 2.78Å; W137-H158 WeakPolarHBondContact CA-O 3.49Å; W137-H158 AromaticContact CD1-CD2 3.9Å; W137-H158 HydrophobicContact CG-CB 4.37Å; W137-H158 AromaticContact NE1-CD2 3.54Å; G138-H158 PolarHBondContact N-O 2.82Å; H158-W177 HydrophobicContact CB-CH2 4.44Å; H158-W177 WeakPolarHBondContact O-CH2 3.3Å |
| 159 | S | 86.4 | Confident | 71.5 | Confident | 53 Ų | 53 | 84.1 Ų | 84.1 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 148 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | G138 W177 | G138-S159 WeakPolarHBondContact O-CA 3.48Å; S159-W177 WeakPolarHBondContact O-CH2 3.48Å |
| 160 | F | 82.5 | Confident | 71.8 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 4% | 0.044 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 156 | 164.4 | 53 | -104.7 | 0 | 0 | 0 | 110.9 | G138 D139 M164 A165 L174 W177 | G138-F160 VanDerWaalsContact C-CE1 3.41Å; G138-F160 WeakPolarHBondContact O-CD1 3.2Å; G138-F160 PolarHBondContact O-N 2.96Å; D139-F160 HydrophobicContact CB-CE1 3.97Å; D139-F160 HydrophobicContact CB-CZ 3.64Å; D139-F160 VanDerWaalsContact N-CE1 3.29Å; F160-M164 HydrophobicContact CB-CE 3.72Å; F160-M164 HydrophobicContact CD2-CB 4.23Å; F160-M164 HydrophobicContact CG-CE 4.41Å; F160-A165 HydrophobicContact CE2-CB 4.19Å; F160-L174 HydrophobicContact CD2-CD2 4.27Å; F160-L174 HydrophobicContact CE1-CD2 4.26Å; F160-L174 HydrophobicContact CE2-CD2 3.98Å; F160-L174 HydrophobicContact CZ-CD2 3.97Å; F160-W177 HydrophobicContact CB-CD2 3.75Å; F160-W177 HydrophobicContact CB-CE3 3.9Å; F160-W177 HydrophobicContact CB-CG 4.31Å; F160-W177 HydrophobicContact CB-CH2 4.07Å; F160-W177 HydrophobicContact CB-CZ2 3.87Å; F160-W177 HydrophobicContact CB-CZ3 4.07Å; F160-W177 HydrophobicContact CD1-CE3 4.17Å; F160-W177 HydrophobicContact CD1-CZ3 4.4Å; F160-W177 VanDerWaalsContact N-CH2 3.34Å |
| 161 | P | 79 | Confident | 72.8 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 141 | 174.9 | -26.1 | 37.4 | 0 | 0 | 0 | 112.7 | D163 M164 | P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 3.31Å; P161-M164 WeakPolarHBondContact O-CB 3.36Å; P161-M164 PolarHBondContact O-N 3.15Å |
| 162 | V | 71.1 | Confident | 73.7 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 74% | 0.739 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -58.3 | -32.8 | -173.5 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | M164 A165 | V162-M164 PolarHBondContact O-N 3.15Å; V162-A165 WeakPolarHBondContact O-CB 3.36Å; V162-A165 PolarHBondContact O-N 2.85Å |
| 163 | D | 68.7 | Low | 74.6 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -64.9 | -21.4 | 176.9 | 56.7 | -51.9 | 0 | 0 | 0 | 114 | P161 A165 F167 | P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 3.31Å; D163-A165 VanDerWaalsContact C-N 3.33Å; D163-F167 WeakPolarHBondContact O-CD2 3.4Å; D163-F167 WeakPolarHBondContact O-CE2 3.39Å |
| 164 | M | 68.7 | Low | 75 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -73.6 | -24.9 | 175.1 | -70 | -134.2 | -59.8 | 0 | 0 | 113.1 | F160 P161 V162 D166 L174 W177 | F160-M164 HydrophobicContact CB-CE 3.72Å; F160-M164 HydrophobicContact CD2-CB 4.23Å; F160-M164 HydrophobicContact CG-CE 4.41Å; P161-M164 WeakPolarHBondContact O-CB 3.36Å; P161-M164 PolarHBondContact O-N 3.15Å; V162-M164 PolarHBondContact O-N 3.15Å; M164-D166 PolarHBondContact O-N 2.98Å; M164-L174 HydrophobicContact CB-CD2 4.16Å; M164-W177 HydrophobicContact CE-CB 3.86Å; M164-W177 HydrophobicContact CE-CD2 4.35Å; M164-W177 HydrophobicContact CE-CG 3.58Å |
| 165 | A | 60 | Low | 75.1 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -68.9 | -19.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F160 V162 D163 F167 M234 | F160-A165 HydrophobicContact CE2-CB 4.19Å; V162-A165 WeakPolarHBondContact O-CB 3.36Å; V162-A165 PolarHBondContact O-N 2.85Å; D163-A165 VanDerWaalsContact C-N 3.33Å; A165-F167 VanDerWaalsContact C-N 3.29Å; A165-F167 PolarHBondContact O-N 3.02Å; A165-M234 VanDerWaalsContact O-CE 3.3Å; A165-M234 WeakPolarHBondContact O-CE 3.35Å |
| 166 | D | 57 | Low | 75.1 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 65% | 0.647 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -78.1 | -9.4 | -174.2 | -70.4 | -27.7 | 0 | 0 | 0 | 113.7 | M164 Y168 | M164-D166 PolarHBondContact O-N 2.98Å; D166-Y168 PolarHBondContact O-N 2.82Å |
| 167 | F | 52.1 | Low | 75.1 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | trans | -92.8 | 73.9 | -175.3 | -66.9 | -82.2 | 0 | 0 | 0 | 113.4 | D163 A165 R169 E170 A171 | D163-F167 WeakPolarHBondContact O-CD2 3.4Å; D163-F167 WeakPolarHBondContact O-CE2 3.39Å; A165-F167 VanDerWaalsContact C-N 3.29Å; A165-F167 PolarHBondContact O-N 3.02Å; F167-R169 PolarHBondContact O-N 3.39Å; F167-R169 VanDerWaalsContact O-N 3.1Å; F167-E170 PolarHBondContact O-N 2.9Å; F167-E170 VanDerWaalsContact O-N 3.09Å; F167-A171 PolarHBondContact O-N 2.85Å | ||
| 168 | Y | 55.5 | Low | 75.3 | Confident | 144 Ų | 144 | 70.6 Ų | 70.6 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -50 | -36.8 | 173.3 | -73.2 | -82.4 | 0 | 0 | 0 | 113.7 | D166 E170 | D166-Y168 PolarHBondContact O-N 2.82Å; Y168-E170 VanDerWaalsContact C-N 3.26Å; Y168-E170 PolarHBondContact O-N 2.89Å |
| 169 | R | 56 | Low | 75.5 | Confident | 223 Ų | 223 | 67.4 Ų | 67.4 | 84% | 0.842 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -68.6 | -19.6 | -176.7 | -69.8 | -176.4 | 178.3 | 179.1 | -1.8 | 114.3 | F167 | F167-R169 PolarHBondContact O-N 3.39Å; F167-R169 VanDerWaalsContact O-N 3.1Å |
| 170 | E | 67.5 | Low | 75.6 | Confident | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -132.2 | 35.6 | -174.5 | -59 | -173.6 | 124.7 | 0 | 0 | 112.1 | F167 Y168 Y172 R173 | F167-E170 PolarHBondContact O-N 2.9Å; F167-E170 VanDerWaalsContact O-N 3.09Å; Y168-E170 VanDerWaalsContact C-N 3.26Å; Y168-E170 PolarHBondContact O-N 2.89Å; E170-Y172 HydrophobicContact CB-CE1 4Å; E170-Y172 HydrophobicContact CG-CE1 4.34Å; E170-Y172 PolarHBondContact O-N 3.3Å; E170-R173 HydrophobicContact CB-CG 4.06Å; E170-R173 VanDerWaalsContact O-CB 3.26Å; E170-R173 WeakPolarHBondContact O-CB 3.37Å; E170-R173 WeakPolarHBondContact O-CG 3.37Å; E170-R173 PolarHBondContact O-N 2.9Å; E170-R173 IonicContact OE1-CZ 3.59Å; E170-R173 IonicContact OE1-NE 2.7Å; E170-R173 PolarHBondContact OE1-NE 2.79Å; E170-R173 IonicContact OE1-NH1 2.69Å; E170-R173 IonicContact OE1-NH2 2.83Å; E170-R173 PolarHBondContact OE1-NH2 2.87Å; E170-R173 IonicContact OE2-CZ 3.71Å; E170-R173 IonicContact OE2-NE 3.16Å; E170-R173 PolarHBondContact OE2-NE 2.68Å; E170-R173 IonicContact OE2-NH1 3.03Å; E170-R173 PolarHBondContact OE2-NH1 2.8Å; E170-R173 IonicContact OE2-NH2 3.5Å; E170-R173 PolarHBondContact OE2-NH2 3.02Å |
| 171 | A | 75.8 | Confident | 75.7 | Confident | 3 Ų | 3 | 75 Ų | 75 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -31.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F167 R173 L174 S231 M234 I235 | F167-A171 PolarHBondContact O-N 2.85Å; A171-R173 PolarHBondContact O-N 3.21Å; A171-R173 VanDerWaalsContact O-N 3.08Å; A171-L174 WeakPolarHBondContact O-CB 3.38Å; A171-L174 PolarHBondContact O-N 2.96Å; A171-S231 VanDerWaalsContact O-CB 3.26Å; A171-S231 WeakPolarHBondContact O-CB 3.25Å; A171-M234 HydrophobicContact CB-CB 3.61Å; A171-M234 HydrophobicContact CB-CG 4.39Å; A171-M234 HydrophobicContact CB-SD 3.98Å; A171-I235 HydrophobicContact CB-CG1 4.02Å |
| 172 | Y | 81.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -23.4 | 174.9 | 71.7 | -93.9 | 0 | 0 | 0 | 113.9 | E170 L174 D176 M252 | E170-Y172 HydrophobicContact CB-CE1 4Å; E170-Y172 HydrophobicContact CG-CE1 4.34Å; E170-Y172 PolarHBondContact O-N 3.3Å; Y172-L174 PolarHBondContact O-N 3.33Å; Y172-D176 WeakPolarHBondContact O-CB 3.33Å; Y172-D176 PolarHBondContact O-N 3.48Å; Y172-D176 VanDerWaalsContact O-N 3.12Å; Y172-M252 HydrophobicContact CD2-CE 3.49Å; Y172-M252 VanDerWaalsContact CD2-CE 3.49Å; Y172-M252 HydrophobicContact CE2-CE 4.36Å; Y172-M252 HydrophobicContact CG-CE 3.71Å; Y172-M252 HydrophobicContact CG-SD 4.33Å |
| 173 | R | 82.5 | Confident | 76.7 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -24.1 | 177.5 | -69 | -175.1 | 172.5 | -177.8 | 4.8 | 112.7 | E170 A171 W177 | E170-R173 HydrophobicContact CB-CG 4.06Å; E170-R173 VanDerWaalsContact O-CB 3.26Å; E170-R173 WeakPolarHBondContact O-CB 3.37Å; E170-R173 WeakPolarHBondContact O-CG 3.37Å; E170-R173 PolarHBondContact O-N 2.9Å; E170-R173 IonicContact OE1-CZ 3.59Å; E170-R173 IonicContact OE1-NE 2.7Å; E170-R173 PolarHBondContact OE1-NE 2.79Å; E170-R173 IonicContact OE1-NH1 2.69Å; E170-R173 IonicContact OE1-NH2 2.83Å; E170-R173 PolarHBondContact OE1-NH2 2.87Å; E170-R173 IonicContact OE2-CZ 3.71Å; E170-R173 IonicContact OE2-NE 3.16Å; E170-R173 PolarHBondContact OE2-NE 2.68Å; E170-R173 IonicContact OE2-NH1 3.03Å; E170-R173 PolarHBondContact OE2-NH1 2.8Å; E170-R173 IonicContact OE2-NH2 3.5Å; E170-R173 PolarHBondContact OE2-NH2 3.02Å; A171-R173 PolarHBondContact O-N 3.21Å; A171-R173 VanDerWaalsContact O-N 3.08Å; R173-W177 WeakPolarHBondContact O-CB 3.49Å; R173-W177 PolarHBondContact O-N 3.29Å |
| 174 | L | 86.3 | Confident | 77.1 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -52.5 | 176.8 | -61.9 | 177.8 | 0 | 0 | 0 | 110.3 | F160 M164 A171 Y172 D176 W177 V178 M234 | F160-L174 HydrophobicContact CD2-CD2 4.27Å; F160-L174 HydrophobicContact CE1-CD2 4.26Å; F160-L174 HydrophobicContact CE2-CD2 3.98Å; F160-L174 HydrophobicContact CZ-CD2 3.97Å; M164-L174 HydrophobicContact CB-CD2 4.16Å; A171-L174 WeakPolarHBondContact O-CB 3.38Å; A171-L174 PolarHBondContact O-N 2.96Å; Y172-L174 PolarHBondContact O-N 3.33Å; L174-D176 PolarHBondContact O-N 3.14Å; L174-W177 WeakPolarHBondContact O-CB 3.45Å; L174-W177 PolarHBondContact O-N 3.34Å; L174-W177 VanDerWaalsContact O-N 3.16Å; L174-V178 PolarHBondContact O-N 3.47Å; L174-V178 VanDerWaalsContact O-N 3.11Å; L174-M234 HydrophobicContact CD1-CE 3.79Å; L174-M234 HydrophobicContact CD1-SD 3.48Å; L174-M234 WeakPolarHBondContact CD1-SD 3.44Å |
| 175 | D | 90.9 | Very high | 77.4 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 178 | -66.7 | 7 | 0 | 0 | 0 | 111.3 | W177 V178 F179 L229 S230 S231 V253 | D175-W177 VanDerWaalsContact C-N 3.27Å; D175-W177 PolarHBondContact O-N 3.36Å; D175-V178 WeakPolarHBondContact O-CB 3.36Å; D175-V178 PolarHBondContact O-N 3.35Å; D175-V178 VanDerWaalsContact O-N 3.1Å; D175-F179 HydrophobicContact CB-CD2 4.41Å; D175-F179 HydrophobicContact CB-CE2 3.96Å; D175-F179 WeakPolarHBondContact O-CD2 3.44Å; D175-F179 VanDerWaalsContact O-CG 3.29Å; D175-F179 WeakPolarHBondContact O-CG 3.26Å; D175-F179 PolarHBondContact O-N 3.08Å; D175-L229 HydrophobicContact CB-CD2 4.07Å; D175-L229 VanDerWaalsContact OD1-C 3.26Å; D175-L229 WeakPolarHBondContact OD1-CA 3.45Å; D175-S230 PolarHBondContact OD1-N 2.87Å; D175-S231 VanDerWaalsContact CG-CB 3.45Å; D175-S231 VanDerWaalsContact CG-OG 3.25Å; D175-S231 PolarHBondContact OD1-N 2.87Å; D175-S231 VanDerWaalsContact OD2-CB 3.24Å; D175-S231 WeakPolarHBondContact OD2-CB 3.36Å; D175-S231 PolarHBondContact OD2-OG 2.9Å; D175-V253 WeakPolarHBondContact OD2-CG2 3.25Å |
| 176 | D | 89.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 174.9 | 177.2 | 62.4 | 0 | 0 | 0 | 112.4 | Y172 L174 R180 | Y172-D176 WeakPolarHBondContact O-CB 3.33Å; Y172-D176 PolarHBondContact O-N 3.48Å; Y172-D176 VanDerWaalsContact O-N 3.12Å; L174-D176 PolarHBondContact O-N 3.14Å; D176-R180 VanDerWaalsContact O-CB 3.26Å; D176-R180 WeakPolarHBondContact O-CB 3.24Å; D176-R180 VanDerWaalsContact O-CG 3.31Å; D176-R180 WeakPolarHBondContact O-CG 3.47Å; D176-R180 PolarHBondContact O-N 2.55Å; D176-R180 PolarHBondContact O-NE 3.5Å; D176-R180 IonicContact OD1-NE 2.84Å; D176-R180 IonicContact OD2-CZ 2.62Å; D176-R180 IonicContact OD2-NE 3.7Å; D176-R180 PolarHBondContact OD2-NE 3.05Å; D176-R180 IonicContact OD2-NH2 2.56Å; D176-R180 PolarHBondContact OD2-NH2 2.99Å |
| 177 | W | 90.9 | Very high | 78.4 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 171.5 | -177.4 | 101.1 | 0 | 0 | 0 | 111.5 | W137 H158 S159 F160 M164 R173 L174 D175 R180 K181 | W137-W177 HydrophobicContact CB-CZ3 4.33Å; H158-W177 HydrophobicContact CB-CH2 4.44Å; H158-W177 WeakPolarHBondContact O-CH2 3.3Å; S159-W177 WeakPolarHBondContact O-CH2 3.48Å; F160-W177 HydrophobicContact CB-CD2 3.75Å; F160-W177 HydrophobicContact CB-CE3 3.9Å; F160-W177 HydrophobicContact CB-CG 4.31Å; F160-W177 HydrophobicContact CB-CH2 4.07Å; F160-W177 HydrophobicContact CB-CZ2 3.87Å; F160-W177 HydrophobicContact CB-CZ3 4.07Å; F160-W177 HydrophobicContact CD1-CE3 4.17Å; F160-W177 HydrophobicContact CD1-CZ3 4.4Å; F160-W177 VanDerWaalsContact N-CH2 3.34Å; M164-W177 HydrophobicContact CE-CB 3.86Å; M164-W177 HydrophobicContact CE-CD2 4.35Å; M164-W177 HydrophobicContact CE-CG 3.58Å; R173-W177 WeakPolarHBondContact O-CB 3.49Å; R173-W177 PolarHBondContact O-N 3.29Å; L174-W177 WeakPolarHBondContact O-CB 3.45Å; L174-W177 PolarHBondContact O-N 3.34Å; L174-W177 VanDerWaalsContact O-N 3.16Å; D175-W177 VanDerWaalsContact C-N 3.27Å; D175-W177 PolarHBondContact O-N 3.36Å; W177-R180 PolarHBondContact O-N 3.01Å; W177-K181 HydrophobicContact CD2-CG 3.71Å; W177-K181 VanDerWaalsContact CE2-CE 3.48Å; W177-K181 HydrophobicContact CE3-CB 4.47Å; W177-K181 HydrophobicContact CE3-CG 3.87Å; W177-K181 HydrophobicContact CG-CG 4.43Å; W177-K181 HydrophobicContact CH2-CD 4.44Å; W177-K181 HydrophobicContact CH2-CG 3.76Å; W177-K181 HydrophobicContact CZ2-CD 4.04Å; W177-K181 HydrophobicContact CZ2-CG 3.63Å; W177-K181 HydrophobicContact CZ3-CB 4.38Å; W177-K181 HydrophobicContact CZ3-CG 3.88Å; W177-K181 WeakPolarHBondContact O-CB 3.48Å; W177-K181 WeakPolarHBondContact O-CG 3.45Å; W177-K181 PolarHBondContact O-N 3Å |
| 178 | V | 91.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110 | W137 L174 D175 R180 K181 F182 L227 L229 | W137-V178 HydrophobicContact CB-CG1 4.16Å; W137-V178 WeakPolarHBondContact O-CG1 3.47Å; L174-V178 PolarHBondContact O-N 3.47Å; L174-V178 VanDerWaalsContact O-N 3.11Å; D175-V178 WeakPolarHBondContact O-CB 3.36Å; D175-V178 PolarHBondContact O-N 3.35Å; D175-V178 VanDerWaalsContact O-N 3.1Å; V178-R180 PolarHBondContact O-N 2.98Å; V178-K181 PolarHBondContact O-N 3.28Å; V178-F182 PolarHBondContact O-N 3.48Å; V178-L227 HydrophobicContact CG1-CB 4.11Å; V178-L227 HydrophobicContact CG1-CD2 3.99Å; V178-L227 HydrophobicContact CG1-CG 4.29Å; V178-L229 HydrophobicContact CB-CD2 4.11Å; V178-L229 HydrophobicContact CG1-CD2 3.86Å |
| 179 | F | 92.6 | Very high | 79 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.8 | -62.1 | -42.8 | 0 | 0 | 0 | 112.2 | D175 F182 K183 L229 I257 L260 | D175-F179 HydrophobicContact CB-CD2 4.41Å; D175-F179 HydrophobicContact CB-CE2 3.96Å; D175-F179 WeakPolarHBondContact O-CD2 3.44Å; D175-F179 VanDerWaalsContact O-CG 3.29Å; D175-F179 WeakPolarHBondContact O-CG 3.26Å; D175-F179 PolarHBondContact O-N 3.08Å; F179-F182 PolarHBondContact O-N 3.09Å; F179-K183 WeakPolarHBondContact O-CB 3.15Å; F179-K183 VanDerWaalsContact O-CG 3.23Å; F179-K183 WeakPolarHBondContact O-CG 3.43Å; F179-K183 PolarHBondContact O-N 3.28Å; F179-L229 HydrophobicContact CD1-CD2 4.47Å; F179-L229 HydrophobicContact CE1-CD1 3.97Å; F179-L229 HydrophobicContact CE1-CD2 3.83Å; F179-L229 HydrophobicContact CE2-CD2 4.43Å; F179-L229 HydrophobicContact CZ-CD1 3.62Å; F179-L229 HydrophobicContact CZ-CD2 3.8Å; F179-L229 HydrophobicContact CZ-CG 4.4Å; F179-I257 HydrophobicContact CE1-CG1 4.43Å; F179-I257 HydrophobicContact CZ-CG1 4.4Å; F179-L260 HydrophobicContact CD1-CD1 3.52Å; F179-L260 HydrophobicContact CD1-CG 4.07Å; F179-L260 HydrophobicContact CE1-CD1 4.08Å |
| 180 | R | 88.4 | Confident | 78.9 | Confident | 128 Ų | 128 | 48 Ų | 48 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.7 | -81.2 | -172.9 | -79 | 154.3 | -5.4 | 112.2 | D176 W177 V178 K183 V184 | D176-R180 VanDerWaalsContact O-CB 3.26Å; D176-R180 WeakPolarHBondContact O-CB 3.24Å; D176-R180 VanDerWaalsContact O-CG 3.31Å; D176-R180 WeakPolarHBondContact O-CG 3.47Å; D176-R180 PolarHBondContact O-N 2.55Å; D176-R180 PolarHBondContact O-NE 3.5Å; D176-R180 IonicContact OD1-NE 2.84Å; D176-R180 IonicContact OD2-CZ 2.62Å; D176-R180 IonicContact OD2-NE 3.7Å; D176-R180 PolarHBondContact OD2-NE 3.05Å; D176-R180 IonicContact OD2-NH2 2.56Å; D176-R180 PolarHBondContact OD2-NH2 2.99Å; W177-R180 PolarHBondContact O-N 3.01Å; V178-R180 PolarHBondContact O-N 2.98Å; R180-K183 PolarHBondContact O-N 3.41Å; R180-V184 VanDerWaalsContact O-CG2 3.3Å; R180-V184 WeakPolarHBondContact O-CG2 3.04Å; R180-V184 PolarHBondContact O-N 3.49Å |
| 181 | K | 85.9 | Confident | 78.1 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.2 | -73.9 | -66.4 | -173.5 | 179 | 0 | 112 | W137 W177 V178 V184 S185 | W137-K181 HydrophobicContact CG-CB 4.42Å; W177-K181 HydrophobicContact CD2-CG 3.71Å; W177-K181 VanDerWaalsContact CE2-CE 3.48Å; W177-K181 HydrophobicContact CE3-CB 4.47Å; W177-K181 HydrophobicContact CE3-CG 3.87Å; W177-K181 HydrophobicContact CG-CG 4.43Å; W177-K181 HydrophobicContact CH2-CD 4.44Å; W177-K181 HydrophobicContact CH2-CG 3.76Å; W177-K181 HydrophobicContact CZ2-CD 4.04Å; W177-K181 HydrophobicContact CZ2-CG 3.63Å; W177-K181 HydrophobicContact CZ3-CB 4.38Å; W177-K181 HydrophobicContact CZ3-CG 3.88Å; W177-K181 WeakPolarHBondContact O-CB 3.48Å; W177-K181 WeakPolarHBondContact O-CG 3.45Å; W177-K181 PolarHBondContact O-N 3Å; V178-K181 PolarHBondContact O-N 3.28Å; K181-V184 PolarHBondContact O-N 3.1Å; K181-S185 WeakPolarHBondContact O-CB 3.36Å; K181-S185 PolarHBondContact O-N 3.07Å; K181-S185 PolarHBondContact O-OG 3.29Å |
| 182 | F | 86.4 | Confident | 76.8 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 171.9 | -171.3 | -80.7 | 0 | 0 | 0 | 111.3 | W137 V178 F179 V184 S185 V186 F225 L227 L260 I264 | W137-F182 HydrophobicContact CD2-CD2 4.48Å; W137-F182 AromaticContact CE3-CD2 3.88Å; W137-F182 HydrophobicContact CE3-CD2 3.88Å; W137-F182 AromaticContact CH2-CD2 3.64Å; W137-F182 HydrophobicContact CH2-CD2 3.64Å; W137-F182 AromaticContact CH2-CE2 3.88Å; W137-F182 HydrophobicContact CH2-CE2 3.88Å; W137-F182 HydrophobicContact CZ2-CD2 4.29Å; W137-F182 AromaticContact CZ3-CD2 3.43Å; W137-F182 HydrophobicContact CZ3-CD2 3.43Å; W137-F182 VanDerWaalsContact CZ3-CD2 3.43Å; W137-F182 AromaticContact CZ3-CE2 3.76Å; W137-F182 HydrophobicContact CZ3-CE2 3.76Å; V178-F182 PolarHBondContact O-N 3.48Å; F179-F182 PolarHBondContact O-N 3.09Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 2.99Å; F182-S185 WeakPolarHBondContact O-CB 3.19Å; F182-S185 PolarHBondContact O-N 2.98Å; F182-S185 VanDerWaalsContact O-N 3.08Å; F182-V186 HydrophobicContact CD1-CG2 3.81Å; F182-V186 HydrophobicContact CE1-CG2 3.4Å; F182-V186 HydrophobicContact CZ-CG2 3.97Å; F182-V186 PolarHBondContact O-N 3.26Å; F182-F225 HydrophobicContact CE2-CB 4.25Å; F182-F225 HydrophobicContact CE2-CD1 4.01Å; F182-F225 HydrophobicContact CE2-CG 4.19Å; F182-L227 HydrophobicContact CB-CD2 4.27Å; F182-L227 HydrophobicContact CD2-CD1 4.29Å; F182-L227 HydrophobicContact CD2-CD2 3.89Å; F182-L227 HydrophobicContact CD2-CG 4.43Å; F182-L227 HydrophobicContact CE2-CD1 4.31Å; F182-L227 HydrophobicContact CG-CD2 4.21Å; F182-L260 HydrophobicContact CB-CD1 4.28Å; F182-L260 HydrophobicContact CB-CD2 4.24Å; F182-L260 HydrophobicContact CD1-CD1 4.04Å; F182-L260 HydrophobicContact CD1-CD2 3.36Å; F182-L260 HydrophobicContact CD1-CG 4.26Å; F182-L260 HydrophobicContact CE1-CD2 4.01Å; F182-L260 HydrophobicContact CG-CD1 4.08Å; F182-L260 HydrophobicContact CG-CD2 4.07Å; F182-I264 HydrophobicContact CE1-CD1 3.83Å; F182-I264 HydrophobicContact CE1-CG1 3.7Å; F182-I264 HydrophobicContact CZ-CD1 3.64Å; F182-I264 HydrophobicContact CZ-CG1 3.74Å |
| 183 | K | 83.8 | Confident | 75.2 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 178.1 | -71.4 | 173.7 | -172.1 | 173 | 0 | 112.6 | F179 R180 R187 E259 L260 I263 | F179-K183 WeakPolarHBondContact O-CB 3.15Å; F179-K183 VanDerWaalsContact O-CG 3.23Å; F179-K183 WeakPolarHBondContact O-CG 3.43Å; F179-K183 PolarHBondContact O-N 3.28Å; R180-K183 PolarHBondContact O-N 3.41Å; K183-R187 VanDerWaalsContact O-CB 3.27Å; K183-R187 WeakPolarHBondContact O-CB 3.47Å; K183-R187 VanDerWaalsContact O-CG 3.29Å; K183-R187 WeakPolarHBondContact O-CG 3.48Å; K183-R187 PolarHBondContact O-N 3.43Å; K183-E259 IonicContact NZ-OE2 3.25Å; K183-E259 PolarHBondContact NZ-OE2 3.05Å; K183-L260 HydrophobicContact CG-CD2 3.76Å; K183-I263 HydrophobicContact CD-CD1 4.2Å; K183-I263 HydrophobicContact CG-CD1 3.73Å |
| 184 | V | 77.8 | Confident | 73.7 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | R180 K181 F182 R187 L188 | R180-V184 VanDerWaalsContact O-CG2 3.3Å; R180-V184 WeakPolarHBondContact O-CG2 3.04Å; R180-V184 PolarHBondContact O-N 3.49Å; K181-V184 PolarHBondContact O-N 3.1Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 2.99Å; V184-R187 PolarHBondContact O-N 3.33Å; V184-L188 HydrophobicContact CG1-CD1 3.84Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 WeakPolarHBondContact O-CB 3.32Å; V184-L188 WeakPolarHBondContact O-CG 3.06Å; V184-L188 PolarHBondContact O-N 3.37Å |
| 185 | S | 74.1 | Confident | 71.8 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | K181 F182 L188 M189 | K181-S185 WeakPolarHBondContact O-CB 3.36Å; K181-S185 PolarHBondContact O-N 3.07Å; K181-S185 PolarHBondContact O-OG 3.29Å; F182-S185 WeakPolarHBondContact O-CB 3.19Å; F182-S185 PolarHBondContact O-N 2.98Å; F182-S185 VanDerWaalsContact O-N 3.08Å; S185-L188 PolarHBondContact O-N 2.87Å; S185-M189 WeakPolarHBondContact O-CG 3.29Å; S185-M189 PolarHBondContact O-N 2.61Å |
| 186 | V | 71.1 | Confident | 69.6 | Low | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | F182 L188 M189 T190 I263 Y267 | F182-V186 HydrophobicContact CD1-CG2 3.81Å; F182-V186 HydrophobicContact CE1-CG2 3.4Å; F182-V186 HydrophobicContact CZ-CG2 3.97Å; F182-V186 PolarHBondContact O-N 3.26Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.32Å; V186-M189 CarbonylContact O-C 3.56Å; V186-M189 WeakPolarHBondContact O-CA 3.29Å; V186-M189 WeakPolarHBondContact O-CB 3.47Å; V186-M189 PolarHBondContact O-N 3.04Å; V186-T190 PolarHBondContact O-N 3.34Å; V186-T190 PolarHBondContact O-OG1 3.44Å; V186-T190 VanDerWaalsContact O-OG1 3.05Å; V186-I263 HydrophobicContact CB-CG2 4.06Å; V186-I263 HydrophobicContact CG1-CG2 3.65Å; V186-I263 HydrophobicContact CG2-CG2 4.37Å; V186-Y267 HydrophobicContact CG1-CD2 3.81Å; V186-Y267 HydrophobicContact CG1-CE2 4.47Å; V186-Y267 HydrophobicContact CG1-CG 3.89Å |
| 187 | R | 67 | Low | 67.7 | Low | 165 Ų | 165 | 72.7 Ų | 72.7 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.8 | -41.6 | 177.6 | -80.6 | -179.9 | 177.4 | -177.7 | 0.3 | 112.3 | K183 V184 M189 T190 Y191 | K183-R187 VanDerWaalsContact O-CB 3.27Å; K183-R187 WeakPolarHBondContact O-CB 3.47Å; K183-R187 VanDerWaalsContact O-CG 3.29Å; K183-R187 WeakPolarHBondContact O-CG 3.48Å; K183-R187 PolarHBondContact O-N 3.43Å; V184-R187 PolarHBondContact O-N 3.33Å; R187-M189 PolarHBondContact O-N 2.97Å; R187-T190 PolarHBondContact O-N 3.34Å; R187-Y191 HydrophobicContact CB-CD2 4.45Å; R187-Y191 WeakPolarHBondContact O-CB 3.4Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.43Å; R187-Y191 PolarHBondContact O-N 3.18Å |
| 188 | L | 59.6 | Low | 65.4 | Low | 43 Ų | 43 | 79.4 Ų | 79.4 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -37.6 | 174.3 | -80.4 | 161.9 | 0 | 0 | 0 | 111.3 | V184 S185 V186 L205 | V184-L188 HydrophobicContact CG1-CD1 3.84Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 WeakPolarHBondContact O-CB 3.32Å; V184-L188 WeakPolarHBondContact O-CG 3.06Å; V184-L188 PolarHBondContact O-N 3.37Å; S185-L188 PolarHBondContact O-N 2.87Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.32Å; L188-L205 HydrophobicContact CD1-CD2 4.28Å; L188-L205 HydrophobicContact CD2-CD2 4.34Å |
| 189 | M | 60 | Low | 62.9 | Low | 9 Ų | 9 | 82.7 Ų | 82.7 | 4% | 0.044 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -73.3 | -40.7 | 176.1 | -55.4 | 154.7 | 62.5 | 0 | 0 | 112.1 | S185 V186 R187 F192 K193 L214 V218 Y267 | S185-M189 WeakPolarHBondContact O-CG 3.29Å; S185-M189 PolarHBondContact O-N 2.61Å; V186-M189 CarbonylContact O-C 3.56Å; V186-M189 WeakPolarHBondContact O-CA 3.29Å; V186-M189 WeakPolarHBondContact O-CB 3.47Å; V186-M189 PolarHBondContact O-N 3.04Å; R187-M189 PolarHBondContact O-N 2.97Å; M189-F192 WeakPolarHBondContact O-CB 3.31Å; M189-F192 PolarHBondContact O-N 3.2Å; M189-K193 PolarHBondContact O-N 3.49Å; M189-L214 HydrophobicContact CG-CD2 3.73Å; M189-L214 HydrophobicContact CG-CG 4.13Å; M189-L214 HydrophobicContact SD-CD2 4.01Å; M189-L214 HydrophobicContact SD-CG 4.27Å; M189-V218 HydrophobicContact CE-CB 3.82Å; M189-V218 HydrophobicContact CE-CG1 3.55Å; M189-V218 HydrophobicContact CE-CG2 3.15Å; M189-Y267 HydrophobicContact CB-CE2 3.86Å; M189-Y267 VanDerWaalsContact CB-OH 3.25Å; M189-Y267 WeakPolarHBondContact CB-OH 3.22Å; M189-Y267 HydrophobicContact CE-CE1 3.82Å |
| 190 | T | 54.4 | Low | 60.3 | Low | 41 Ų | 41 | 91.9 Ų | 91.9 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.9 | -47.4 | 0 | 0 | 0 | 0 | 112.7 | V186 R187 F192 K193 I194 Y267 | V186-T190 PolarHBondContact O-N 3.34Å; V186-T190 PolarHBondContact O-OG1 3.44Å; V186-T190 VanDerWaalsContact O-OG1 3.05Å; R187-T190 PolarHBondContact O-N 3.34Å; T190-F192 PolarHBondContact O-N 2.9Å; T190-K193 WeakPolarHBondContact O-CB 3.38Å; T190-K193 PolarHBondContact O-N 3.16Å; T190-I194 HydrophobicContact CG2-CD1 4.34Å; T190-I194 PolarHBondContact O-N 3.37Å; T190-I194 VanDerWaalsContact O-N 3.08Å; T190-Y267 VanDerWaalsContact OG1-CD2 3.24Å; T190-Y267 WeakPolarHBondContact OG1-CD2 3.19Å |
| 191 | Y | 51.3 | Low | 57.8 | Low | 152 Ų | 152 | 92.4 Ų | 92.4 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.4 | -35.6 | 176.7 | -94.3 | -75.9 | 0 | 0 | 0 | 110.8 | R187 I194 F195 | R187-Y191 HydrophobicContact CB-CD2 4.45Å; R187-Y191 WeakPolarHBondContact O-CB 3.4Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.43Å; R187-Y191 PolarHBondContact O-N 3.18Å; Y191-I194 PolarHBondContact O-N 2.99Å; Y191-F195 HydrophobicContact CD1-CD2 4.43Å; Y191-F195 HydrophobicContact CD1-CE2 4.43Å; Y191-F195 WeakPolarHBondContact O-CB 3.36Å; Y191-F195 PolarHBondContact O-N 3.44Å |
| 192 | F | 48.1 | Very low | 55.3 | Low | 56 Ų | 56 | 92.1 Ų | 92.1 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 174.2 | -160.7 | -101.9 | 0 | 0 | 0 | 113 | M189 T190 I194 F195 F196 N211 | M189-F192 WeakPolarHBondContact O-CB 3.31Å; M189-F192 PolarHBondContact O-N 3.2Å; T190-F192 PolarHBondContact O-N 2.9Å; F192-I194 VanDerWaalsContact C-N 3.27Å; F192-I194 PolarHBondContact O-N 3.08Å; F192-F195 PolarHBondContact O-N 3.21Å; F192-F196 HydrophobicContact CD1-CD2 4.16Å; F192-F196 AromaticContact CE1-CD2 3.54Å; F192-F196 HydrophobicContact CE1-CD2 3.54Å; F192-F196 AromaticContact CE1-CE2 3.69Å; F192-F196 HydrophobicContact CE1-CE2 3.69Å; F192-F196 HydrophobicContact CE2-CD2 4.2Å; F192-F196 HydrophobicContact CE2-CE2 4.18Å; F192-F196 AromaticContact CZ-CD2 3.59Å; F192-F196 HydrophobicContact CZ-CD2 3.59Å; F192-F196 AromaticContact CZ-CE2 3.4Å; F192-F196 HydrophobicContact CZ-CE2 3.4Å; F192-F196 PolarHBondContact O-N 2.89Å; F192-N211 HydrophobicContact CB-CB 3.85Å; F192-N211 HydrophobicContact CD1-CB 4.26Å; F192-N211 HydrophobicContact CD2-CB 3.36Å; F192-N211 HydrophobicContact CE2-CB 3.84Å; F192-N211 HydrophobicContact CG-CB 3.57Å; F192-N211 HydrophobicContact CZ-CB 4.45Å |
| 193 | K | 47.3 | Very low | 52.7 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -37.9 | 175 | -165.6 | 177.4 | -176.1 | 177.8 | 0 | 111.9 | M189 T190 Y267 | M189-K193 PolarHBondContact O-N 3.49Å; T190-K193 WeakPolarHBondContact O-CB 3.38Å; T190-K193 PolarHBondContact O-N 3.16Å; K193-Y267 PolarHBondContact NZ-O 2.73Å |
| 194 | I | 50.7 | Low | 50 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.2 | -41.1 | 177.3 | -63.2 | 171.6 | 0 | 0 | 0 | 111.4 | T190 Y191 F192 K197 | T190-I194 HydrophobicContact CG2-CD1 4.34Å; T190-I194 PolarHBondContact O-N 3.37Å; T190-I194 VanDerWaalsContact O-N 3.08Å; Y191-I194 PolarHBondContact O-N 2.99Å; F192-I194 VanDerWaalsContact C-N 3.27Å; F192-I194 PolarHBondContact O-N 3.08Å; I194-K197 WeakPolarHBondContact O-CB 3.35Å; I194-K197 PolarHBondContact O-N 3.03Å |
| 195 | F | 47.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.6 | -30.3 | -175.5 | -103 | -80 | 0 | 0 | 0 | 114.1 | Y191 F192 K197 K198 G199 R200 P202 | Y191-F195 HydrophobicContact CD1-CD2 4.43Å; Y191-F195 HydrophobicContact CD1-CE2 4.43Å; Y191-F195 WeakPolarHBondContact O-CB 3.36Å; Y191-F195 PolarHBondContact O-N 3.44Å; F192-F195 PolarHBondContact O-N 3.21Å; F195-K197 PolarHBondContact O-N 3.48Å; F195-K198 CarbonylContact O-C 3.55Å; F195-K198 PolarHBondContact O-N 3.27Å; F195-G199 PolarHBondContact O-N 2.89Å; F195-R200 WeakPolarHBondContact CD1-O 3.14Å; F195-R200 HydrophobicContact CE1-CB 4.28Å; F195-R200 WeakPolarHBondContact CE1-O 3.48Å; F195-P202 HydrophobicContact CE1-CG 4.2Å; F195-P202 HydrophobicContact CE2-CG 4.1Å; F195-P202 HydrophobicContact CZ-CG 3.79Å |
| 196 | F | 46 | Very low | 45.6 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -21.6 | 172 | -118 | -89 | 0 | 0 | 0 | 112.9 | F192 | F192-F196 HydrophobicContact CD1-CD2 4.16Å; F192-F196 AromaticContact CE1-CD2 3.54Å; F192-F196 HydrophobicContact CE1-CD2 3.54Å; F192-F196 AromaticContact CE1-CE2 3.69Å; F192-F196 HydrophobicContact CE1-CE2 3.69Å; F192-F196 HydrophobicContact CE2-CD2 4.2Å; F192-F196 HydrophobicContact CE2-CE2 4.18Å; F192-F196 AromaticContact CZ-CD2 3.59Å; F192-F196 HydrophobicContact CZ-CD2 3.59Å; F192-F196 AromaticContact CZ-CE2 3.4Å; F192-F196 HydrophobicContact CZ-CE2 3.4Å; F192-F196 PolarHBondContact O-N 2.89Å |
| 197 | K | 48.1 | Very low | 44 | Very low | 195 Ų | 195 | 118.2 Ų | 118.2 | 85% | 0.848 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -13.7 | 168.7 | -98 | -173.9 | 175.9 | -178.2 | 0 | 113.9 | I194 F195 | I194-K197 WeakPolarHBondContact O-CB 3.35Å; I194-K197 PolarHBondContact O-N 3.03Å; F195-K197 PolarHBondContact O-N 3.48Å |
| 198 | K | 43.1 | Very low | 42.9 | Very low | 171 Ų | 171 | 117.1 Ų | 117.1 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 3.7 | -170.5 | -71.3 | -166.3 | 176.7 | -175.7 | 0 | 117.2 | F195 R200 | F195-K198 CarbonylContact O-C 3.55Å; F195-K198 PolarHBondContact O-N 3.27Å; K198-R200 PolarHBondContact O-N 3.49Å |
| 199 | G | 39.2 | Very low | 42.4 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | trans | 66.2 | 32 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | F195 | F195-G199 PolarHBondContact O-N 2.89Š| ||
| 200 | R | 37.6 | Very low | 42 | Very low | 204 Ų | 204 | 122.5 Ų | 122.5 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | trans | -136.9 | 143.1 | 170.8 | -68.2 | -173.8 | 179.7 | 169.4 | 0.1 | 111.6 | F195 K198 | F195-R200 WeakPolarHBondContact CD1-O 3.14Å; F195-R200 HydrophobicContact CE1-CB 4.28Å; F195-R200 WeakPolarHBondContact CE1-O 3.48Å; K198-R200 PolarHBondContact O-N 3.49Å | ||
| 201 | V | 36 | Very low | 42.4 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | trans | -102.2 | 122.3 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 202 | P | 32.9 | Very low | 43.2 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 57% | 0.571 | 61% | 0.609 | S | S | * | * | trans | -87.6 | 124.7 | 162.4 | 5.3 | 12.7 | 0 | 0 | 0 | 110.2 | F195 F204 | F195-P202 HydrophobicContact CE1-CG 4.2Å; F195-P202 HydrophobicContact CE2-CG 4.1Å; F195-P202 HydrophobicContact CZ-CG 3.79Å; P202-F204 PolarHBondContact O-N 3.05Å; P202-F204 VanDerWaalsContact O-N 3.1Å | ||
| 203 | V | 32.2 | Very low | 44.7 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 81% | 0.812 | 62% | 0.616 | S | S | * | * | trans | -74.6 | 86.9 | 171 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 204 | F | 27.2 | Very low | 46.3 | Very low | 191 Ų | 191 | 113.5 Ų | 113.5 | 84% | 0.838 | 60% | 0.6 | S | S | * | * | trans | -171.3 | 91.5 | 158.5 | -112.3 | -78.4 | 0 | 0 | 0 | 109.6 | P202 | P202-F204 PolarHBondContact O-N 3.05Å; P202-F204 VanDerWaalsContact O-N 3.1Å | ||
| 205 | L | 31.1 | Very low | 47.8 | Very low | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | 171.1 | 114.8 | 128.4 | -114.3 | 83.6 | 0 | 0 | 0 | 108.9 | L188 L207 | L188-L205 HydrophobicContact CD1-CD2 4.28Å; L188-L205 HydrophobicContact CD2-CD2 4.34Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 HydrophobicContact CD2-CD1 3.91Å; L205-L207 PolarHBondContact O-N 2.64Å; L205-L207 VanDerWaalsContact O-N 3.1Å | |||
| 206 | N | 27.3 | Very low | 49.7 | Very low | 165 Ų | 165 | 110.6 Ų | 110.6 | 88% | 0.882 | 59% | 0.594 | S | S | * | * | trans | -78.5 | 82.3 | 170.3 | -153.1 | 9.9 | 0 | 0 | 0 | 107.9 | ||||
| 207 | L | 38.7 | Very low | 51.7 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | trans | -120.8 | 122.6 | 161.8 | -88 | 164.1 | 0 | 0 | 0 | 106.2 | L205 L209 | L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 HydrophobicContact CD2-CD1 3.91Å; L205-L207 PolarHBondContact O-N 2.64Å; L205-L207 VanDerWaalsContact O-N 3.1Å; L207-L209 PolarHBondContact O-N 2.88Å | ||
| 208 | T | 44 | Very low | 53.7 | Low | 143 Ų | 143 | 94.3 Ų | 94.3 | 88% | 0.877 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -66.2 | 16.3 | -162.2 | 23.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 209 | L | 48.4 | Very low | 56 | Low | 63 Ų | 63 | 90.1 Ų | 90.1 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -119 | 119.4 | 165 | -70.4 | 165.3 | 0 | 0 | 0 | 106.7 | F156 L207 N211 T213 M217 | F156-L209 HydrophobicContact CE1-CD1 4.36Å; L207-L209 PolarHBondContact O-N 2.88Å; L209-N211 PolarHBondContact O-N 2.83Å; L209-T213 HydrophobicContact CD2-CG2 4.17Å; L209-M217 HydrophobicContact CD2-SD 4.35Å |
| 210 | T | 52 | Low | 58.5 | Low | 101 Ų | 101 | 89.6 Ų | 89.6 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | trans | -54.2 | 136.4 | 170.9 | 71.7 | 0 | 0 | 0 | 0 | 108.3 | G212 T213 L214 | T210-G212 PolarHBondContact O-N 2.96Å; T210-T213 WeakPolarHBondContact O-CA 3.39Å; T210-T213 WeakPolarHBondContact O-CB 3.38Å; T210-T213 PolarHBondContact O-N 3.09Å; T210-T213 PolarHBondContact OG1-OG1 3.36Å; T210-L214 PolarHBondContact O-N 2.87Å | ||
| 211 | N | 61.4 | Low | 61.2 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 30% | 0.299 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -53.1 | -27.5 | -174.9 | -76.2 | -17.8 | 0 | 0 | 0 | 112.9 | F192 L209 N215 | F192-N211 HydrophobicContact CB-CB 3.85Å; F192-N211 HydrophobicContact CD1-CB 4.26Å; F192-N211 HydrophobicContact CD2-CB 3.36Å; F192-N211 HydrophobicContact CE2-CB 3.84Å; F192-N211 HydrophobicContact CG-CB 3.57Å; F192-N211 HydrophobicContact CZ-CB 4.45Å; L209-N211 PolarHBondContact O-N 2.83Å; N211-N215 VanDerWaalsContact O-CB 3.29Å; N211-N215 WeakPolarHBondContact O-CB 3.42Å; N211-N215 PolarHBondContact O-N 3.18Å |
| 212 | G | 68.9 | Low | 64.1 | Low | 24 Ų | 24 | 79.4 Ų | 79.4 | 25% | 0.247 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T210 N215 S216 | T210-G212 PolarHBondContact O-N 2.96Å; G212-N215 PolarHBondContact O-N 3.16Å; G212-S216 WeakPolarHBondContact O-CB 3.38Å; G212-S216 PolarHBondContact O-N 3.27Å |
| 213 | T | 80.1 | Confident | 67.1 | Low | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 174.4 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | L209 T210 N215 S216 M217 | L209-T213 HydrophobicContact CD2-CG2 4.17Å; T210-T213 WeakPolarHBondContact O-CA 3.39Å; T210-T213 WeakPolarHBondContact O-CB 3.38Å; T210-T213 PolarHBondContact O-N 3.09Å; T210-T213 PolarHBondContact OG1-OG1 3.36Å; T213-N215 VanDerWaalsContact C-N 3.34Å; T213-N215 PolarHBondContact O-N 2.56Å; T213-S216 WeakPolarHBondContact O-CB 3.29Å; T213-S216 PolarHBondContact O-N 2.88Å; T213-S216 VanDerWaalsContact O-N 3.16Å; T213-M217 HydrophobicContact CG2-CG 4.47Å; T213-M217 HydrophobicContact CG2-SD 3.97Å; T213-M217 VanDerWaalsContact O-CG 3.25Å; T213-M217 WeakPolarHBondContact O-CG 3.39Å; T213-M217 PolarHBondContact O-N 3.32Å |
| 214 | L | 81.1 | Confident | 70.2 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 178.4 | 179.4 | 62.1 | 0 | 0 | 0 | 111.3 | W135 M189 T210 S216 M217 V218 | W135-L214 HydrophobicContact CZ2-CD1 3.59Å; M189-L214 HydrophobicContact CG-CD2 3.73Å; M189-L214 HydrophobicContact CG-CG 4.13Å; M189-L214 HydrophobicContact SD-CD2 4.01Å; M189-L214 HydrophobicContact SD-CG 4.27Å; T210-L214 PolarHBondContact O-N 2.87Å; L214-S216 VanDerWaalsContact C-N 3.3Å; L214-S216 PolarHBondContact O-N 2.94Å; L214-M217 PolarHBondContact O-N 3.26Å; L214-M217 VanDerWaalsContact O-N 3.15Å; L214-V218 HydrophobicContact CD1-CG1 4.24Å; L214-V218 PolarHBondContact O-N 3.43Å |
| 215 | N | 81.6 | Confident | 73.5 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 176.5 | -174.7 | 41.5 | 0 | 0 | 0 | 112.2 | N211 G212 T213 V218 H219 Y267 | N211-N215 VanDerWaalsContact O-CB 3.29Å; N211-N215 WeakPolarHBondContact O-CB 3.42Å; N211-N215 PolarHBondContact O-N 3.18Å; G212-N215 PolarHBondContact O-N 3.16Å; T213-N215 VanDerWaalsContact C-N 3.34Å; T213-N215 PolarHBondContact O-N 2.56Å; N215-V218 VanDerWaalsContact O-CG2 3.26Å; N215-V218 WeakPolarHBondContact O-CG2 3.38Å; N215-H219 PolarHBondContact O-N 3.16Å; N215-H219 PolarHBondContact O-ND1 3.5Å; N215-H219 PolarHBondContact OD1-CE1 3Å; N215-H219 PolarHBondContact OD1-ND1 3.09Å; N215-Y267 PolarHBondContact OD1-OH 3.39Å |
| 216 | S | 85.9 | Confident | 76.6 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | G212 T213 L214 Q220 | G212-S216 WeakPolarHBondContact O-CB 3.38Å; G212-S216 PolarHBondContact O-N 3.27Å; T213-S216 WeakPolarHBondContact O-CB 3.29Å; T213-S216 PolarHBondContact O-N 2.88Å; T213-S216 VanDerWaalsContact O-N 3.16Å; L214-S216 VanDerWaalsContact C-N 3.3Å; L214-S216 PolarHBondContact O-N 2.94Å; S216-Q220 WeakPolarHBondContact O-CG 3.34Å |
| 217 | M | 89.3 | Confident | 79.9 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 179.8 | -68.3 | 165.6 | 73.9 | 0 | 0 | 112.3 | Y133 W135 F156 L209 T213 L214 H219 Q220 I223 | Y133-M217 HydrophobicContact CD1-CE 3.57Å; Y133-M217 HydrophobicContact CD2-CB 4.01Å; Y133-M217 HydrophobicContact CD2-CE 4.25Å; Y133-M217 HydrophobicContact CD2-CG 4.45Å; Y133-M217 HydrophobicContact CE1-CE 3.38Å; Y133-M217 HydrophobicContact CE2-CB 3.96Å; Y133-M217 HydrophobicContact CE2-CE 4.08Å; Y133-M217 HydrophobicContact CE2-CG 3.97Å; Y133-M217 HydrophobicContact CG-CE 4.02Å; W135-M217 HydrophobicContact CH2-CB 3.93Å; W135-M217 HydrophobicContact CZ2-CB 4.2Å; W135-M217 HydrophobicContact CZ2-CE 4.11Å; F156-M217 HydrophobicContact CE2-CE 3.55Å; F156-M217 HydrophobicContact CZ-CE 3.55Å; L209-M217 HydrophobicContact CD2-SD 4.35Å; T213-M217 HydrophobicContact CG2-CG 4.47Å; T213-M217 HydrophobicContact CG2-SD 3.97Å; T213-M217 VanDerWaalsContact O-CG 3.25Å; T213-M217 WeakPolarHBondContact O-CG 3.39Å; T213-M217 PolarHBondContact O-N 3.32Å; L214-M217 PolarHBondContact O-N 3.26Å; L214-M217 VanDerWaalsContact O-N 3.15Å; M217-H219 VanDerWaalsContact C-N 3.27Å; M217-H219 PolarHBondContact O-N 3.01Å; M217-Q220 WeakPolarHBondContact O-CB 3.04Å; M217-Q220 PolarHBondContact O-N 3.44Å; M217-I223 WeakPolarHBondContact O-CD1 3.32Å |
| 218 | V | 89.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -19.5 | -176.6 | -62.2 | 0 | 0 | 0 | 0 | 114.3 | W135 M189 L214 N215 Q220 F225 Y267 F268 | W135-V218 HydrophobicContact CE3-CG1 4.36Å; W135-V218 HydrophobicContact CH2-CG1 3.59Å; W135-V218 HydrophobicContact CZ2-CG1 3.96Å; W135-V218 HydrophobicContact CZ3-CG1 3.81Å; M189-V218 HydrophobicContact CE-CB 3.82Å; M189-V218 HydrophobicContact CE-CG1 3.55Å; M189-V218 HydrophobicContact CE-CG2 3.15Å; L214-V218 HydrophobicContact CD1-CG1 4.24Å; L214-V218 PolarHBondContact O-N 3.43Å; N215-V218 VanDerWaalsContact O-CG2 3.26Å; N215-V218 WeakPolarHBondContact O-CG2 3.38Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-F225 HydrophobicContact CB-CZ 4.46Å; V218-F225 HydrophobicContact CG1-CZ 4.26Å; V218-Y267 HydrophobicContact CG2-CE1 4.39Å; V218-F268 HydrophobicContact CB-CE1 4.41Å; V218-F268 HydrophobicContact CB-CZ 4.25Å; V218-F268 HydrophobicContact CG2-CE1 4.18Å; V218-F268 HydrophobicContact CG2-CZ 4.31Å |
| 219 | H | 91 | Very high | 85 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 38% | 0.384 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.9 | 177.7 | -76.3 | 87.7 | 0 | 0 | 0 | 112.5 | N215 M217 Y267 F268 | N215-H219 PolarHBondContact O-N 3.16Å; N215-H219 PolarHBondContact O-ND1 3.5Å; N215-H219 PolarHBondContact OD1-CE1 3Å; N215-H219 PolarHBondContact OD1-ND1 3.09Å; M217-H219 VanDerWaalsContact C-N 3.27Å; M217-H219 PolarHBondContact O-N 3.01Å; H219-Y267 AromaticContact CE1-CE1 3.68Å; H219-F268 AromaticContact CD2-CD1 3.96Å; H219-F268 AromaticContact NE2-CD1 3.78Å |
| 220 | Q | 93.1 | Very high | 87.1 | Confident | 59 Ų | 59 | 33.3 Ų | 33.3 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.1 | -179.1 | 172 | -61.3 | -178.7 | 35.1 | 0 | 0 | 110.9 | S216 M217 V218 I223 | S216-Q220 WeakPolarHBondContact O-CG 3.34Å; M217-Q220 WeakPolarHBondContact O-CB 3.04Å; M217-Q220 PolarHBondContact O-N 3.44Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; Q220-I223 HydrophobicContact CB-CD1 4.29Å; Q220-I223 VanDerWaalsContact O-CG1 3.25Å; Q220-I223 WeakPolarHBondContact O-CG1 3.32Å |
| 221 | N | 94.1 | Very high | 88.8 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -90.6 | 165.6 | 174 | 65.3 | -1 | 0 | 0 | 0 | 112.2 | D46 R132 I223 | D46-N221 CarbonylContact O-C 3.47Å; R132-N221 WeakPolarHBondContact CB-O 3.41Å; R132-N221 WeakPolarHBondContact CD-O 3.49Å; R132-N221 PolarHBondContact NE-O 2.73Å; R132-N221 PolarHBondContact NE-OD1 2.84Å; R132-N221 PolarHBondContact NH2-OD1 3.43Å; N221-I223 VanDerWaalsContact C-N 3.34Å |
| 222 | K | 95.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 25.9 Ų | 25.9 | 29% | 0.291 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 61.3 | 39.8 | 178.2 | -52.8 | -178.6 | -175.6 | -157.3 | 0 | 113.1 | D46 R132 I340 G341 | D46-K222 PolarHBondContact O-N 3.46Å; R132-K222 HydrophobicContact CB-CB 3.92Å; R132-K222 PolarHBondContact N-O 2.98Å; K222-I340 HydrophobicContact CB-CD1 4.32Å; K222-I340 WeakPolarHBondContact CG-O 3.23Å; K222-G341 WeakPolarHBondContact CE-O 3.15Å; K222-G341 PolarHBondContact NZ-O 3.18Å |
| 223 | I | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139.3 | -177.8 | -59.2 | -59.2 | 0 | 0 | 0 | 110.1 | D46 R47 L48 Y133 W135 M217 Q220 N221 F225 | D46-I223 PolarHBondContact O-N 2.59Å; D46-I223 VanDerWaalsContact O-N 3.09Å; R47-I223 CarbonylContact C-O 3.55Å; R47-I223 VanDerWaalsContact CA-O 3.31Å; R47-I223 WeakPolarHBondContact CA-O 3.48Å; R47-I223 HydrophobicContact CB-CB 4.3Å; R47-I223 HydrophobicContact CG-CB 3.72Å; R47-I223 HydrophobicContact CG-CG1 4.26Å; R47-I223 HydrophobicContact CG-CG2 4.03Å; L48-I223 PolarHBondContact N-O 3.08Å; Y133-I223 HydrophobicContact CD2-CD1 3.87Å; Y133-I223 HydrophobicContact CG-CD1 4.41Å; W135-I223 HydrophobicContact CE3-CG2 4.3Å; W135-I223 HydrophobicContact CZ3-CD1 4.28Å; W135-I223 HydrophobicContact CZ3-CG2 3.83Å; M217-I223 WeakPolarHBondContact O-CD1 3.32Å; Q220-I223 HydrophobicContact CB-CD1 4.29Å; Q220-I223 VanDerWaalsContact O-CG1 3.25Å; Q220-I223 WeakPolarHBondContact O-CG1 3.32Å; N221-I223 VanDerWaalsContact C-N 3.34Å; I223-F225 HydrophobicContact CG2-CD2 4.32Å; I223-F225 HydrophobicContact CG2-CE2 3.73Å; I223-F225 HydrophobicContact CG2-CZ 3.88Å |
| 224 | A | 96.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L48 F127 F128 Y133 T134 W135 | L48-A224 CarbonylContact O-C 3.57Å; L48-A224 WeakPolarHBondContact O-CA 3.42Å; F127-A224 HydrophobicContact CE1-CB 3.66Å; F127-A224 HydrophobicContact CZ-CB 4.16Å; F128-A224 HydrophobicContact CD1-CB 4.38Å; Y133-A224 PolarHBondContact O-N 3.23Å; T134-A224 VanDerWaalsContact CA-O 3.3Å; T134-A224 WeakPolarHBondContact CA-O 3.45Å; T134-A224 HydrophobicContact CG2-CB 4.37Å; W135-A224 PolarHBondContact N-O 2.73Å |
| 225 | F | 96.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.1 | 167.5 | -62.1 | -73.5 | 0 | 0 | 0 | 108.1 | L48 V49 L50 W135 W137 F182 V218 I223 L227 F268 | L48-F225 PolarHBondContact O-N 2.79Å; V49-F225 WeakPolarHBondContact CA-O 3.34Å; V49-F225 HydrophobicContact CG1-CB 4.23Å; V49-F225 HydrophobicContact CG2-CB 4.31Å; V49-F225 HydrophobicContact CG2-CD2 4.05Å; L50-F225 PolarHBondContact N-O 3.48Å; W135-F225 HydrophobicContact CB-CD1 4.09Å; W135-F225 HydrophobicContact CB-CE1 4.39Å; W135-F225 HydrophobicContact CD2-CE1 4.29Å; W135-F225 HydrophobicContact CE3-CD1 4.31Å; W135-F225 AromaticContact CE3-CE1 3.79Å; W135-F225 HydrophobicContact CE3-CE1 3.79Å; W135-F225 HydrophobicContact CE3-CZ 4.39Å; W135-F225 HydrophobicContact CZ3-CE1 4.5Å; W135-F225 WeakPolarHBondContact O-CA 3.4Å; W137-F225 AromaticContact CH2-CD1 3.82Å; W137-F225 HydrophobicContact CH2-CD1 3.82Å; W137-F225 HydrophobicContact CH2-CE1 4.34Å; W137-F225 HydrophobicContact CZ3-CB 4.49Å; W137-F225 AromaticContact CZ3-CD1 3.99Å; W137-F225 HydrophobicContact CZ3-CD1 3.99Å; F182-F225 HydrophobicContact CE2-CB 4.25Å; F182-F225 HydrophobicContact CE2-CD1 4.01Å; F182-F225 HydrophobicContact CE2-CG 4.19Å; V218-F225 HydrophobicContact CB-CZ 4.46Å; V218-F225 HydrophobicContact CG1-CZ 4.26Å; I223-F225 HydrophobicContact CG2-CD2 4.32Å; I223-F225 HydrophobicContact CG2-CE2 3.73Å; I223-F225 HydrophobicContact CG2-CZ 3.88Å; F225-L227 HydrophobicContact CB-CD1 4.25Å; F225-F268 HydrophobicContact CE2-CE2 4.4Å; F225-F268 HydrophobicContact CE2-CZ 4.36Å; F225-F268 HydrophobicContact CZ-CZ 4.33Å |
| 226 | F | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.3 | -177.6 | 173.2 | -134 | 0 | 0 | 0 | 111.2 | L50 V52 H99 I103 F128 W135 S136 W137 V142 I143 P228 | L50-F226 HydrophobicContact CB-CD2 4.3Å; L50-F226 HydrophobicContact CD2-CD2 3.72Å; L50-F226 HydrophobicContact CD2-CE2 4.03Å; L50-F226 HydrophobicContact CG-CD2 4Å; L50-F226 HydrophobicContact CG-CE2 4.43Å; V52-F226 HydrophobicContact CB-CE2 4.26Å; V52-F226 HydrophobicContact CG2-CE2 3.83Å; H99-F226 AromaticContact CE1-CZ 3.65Å; H99-F226 AromaticContact ND1-CZ 3.57Å; I103-F226 HydrophobicContact CD1-CE1 4.05Å; I103-F226 HydrophobicContact CD1-CE2 4.12Å; I103-F226 HydrophobicContact CD1-CZ 3.81Å; F128-F226 HydrophobicContact CE1-CB 4.05Å; F128-F226 HydrophobicContact CE1-CG 4.38Å; F128-F226 HydrophobicContact CE2-CB 4.39Å; F128-F226 AromaticContact CE2-CD1 3.66Å; F128-F226 HydrophobicContact CE2-CD1 3.66Å; F128-F226 HydrophobicContact CE2-CE1 4.17Å; F128-F226 HydrophobicContact CE2-CG 4.11Å; F128-F226 HydrophobicContact CZ-CB 3.59Å; F128-F226 AromaticContact CZ-CD1 3.54Å; F128-F226 HydrophobicContact CZ-CD1 3.54Å; F128-F226 HydrophobicContact CZ-CD2 4.14Å; F128-F226 HydrophobicContact CZ-CE1 4.24Å; F128-F226 AromaticContact CZ-CG 3.48Å; F128-F226 HydrophobicContact CZ-CG 3.48Å; F128-F226 VanDerWaalsContact CZ-CG 3.48Å; W135-F226 PolarHBondContact O-N 3.31Å; S136-F226 VanDerWaalsContact CA-O 3.22Å; S136-F226 WeakPolarHBondContact CA-O 3.35Å; W137-F226 PolarHBondContact N-O 3.2Å; V142-F226 HydrophobicContact CG1-CE1 4.13Å; V142-F226 HydrophobicContact CG1-CZ 4.02Å; I143-F226 HydrophobicContact CG2-CD1 4.49Å; I143-F226 HydrophobicContact CG2-CE1 4.25Å; F226-P228 HydrophobicContact CD1-CG 4.45Å; F226-P228 HydrophobicContact CE1-CB 4.29Å; F226-P228 HydrophobicContact CE1-CG 3.85Å; F226-P228 HydrophobicContact CE2-CB 4.08Å; F226-P228 HydrophobicContact CE2-CG 4.28Å; F226-P228 HydrophobicContact CZ-CB 3.68Å; F226-P228 HydrophobicContact CZ-CG 3.74Å |
| 227 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 86.9 | -177.3 | -62.9 | 92.1 | 0 | 0 | 0 | 109.1 | V49 L50 F51 V52 W137 V178 F182 F225 L260 | V49-L227 HydrophobicContact CG1-CD1 3.83Å; L50-L227 PolarHBondContact O-N 3.42Å; F51-L227 WeakPolarHBondContact CA-O 3.47Å; F51-L227 HydrophobicContact CD1-CB 3.89Å; F51-L227 HydrophobicContact CD1-CD1 4.42Å; F51-L227 HydrophobicContact CD1-CD2 4.37Å; F51-L227 HydrophobicContact CD1-CG 4.46Å; F51-L227 HydrophobicContact CE1-CB 4.24Å; F51-L227 HydrophobicContact CE1-CD1 4.15Å; F51-L227 HydrophobicContact CE1-CD2 3.89Å; F51-L227 HydrophobicContact CE1-CG 4.33Å; V52-L227 PolarHBondContact N-O 3.24Å; V52-L227 VanDerWaalsContact N-O 3.15Å; W137-L227 HydrophobicContact CE3-CG 4.4Å; V178-L227 HydrophobicContact CG1-CB 4.11Å; V178-L227 HydrophobicContact CG1-CD2 3.99Å; V178-L227 HydrophobicContact CG1-CG 4.29Å; F182-L227 HydrophobicContact CB-CD2 4.27Å; F182-L227 HydrophobicContact CD2-CD1 4.29Å; F182-L227 HydrophobicContact CD2-CD2 3.89Å; F182-L227 HydrophobicContact CD2-CG 4.43Å; F182-L227 HydrophobicContact CE2-CD1 4.31Å; F182-L227 HydrophobicContact CG-CD2 4.21Å; F225-L227 HydrophobicContact CB-CD1 4.25Å; L227-L260 HydrophobicContact CD2-CD1 3.49Å; L227-L260 VanDerWaalsContact CD2-CD1 3.49Å |
| 228 | P | 95.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.5 | 166.1 | 28.9 | -32.1 | 0 | 0 | 0 | 109.9 | W137 V142 I143 F226 | W137-P228 WeakPolarHBondContact O-CD 3.43Å; V142-P228 HydrophobicContact CG1-CB 3.92Å; V142-P228 HydrophobicContact CG1-CG 4.1Å; I143-P228 HydrophobicContact CG2-CG 3.88Å; F226-P228 HydrophobicContact CD1-CG 4.45Å; F226-P228 HydrophobicContact CE1-CB 4.29Å; F226-P228 HydrophobicContact CE1-CG 3.85Å; F226-P228 HydrophobicContact CE2-CB 4.08Å; F226-P228 HydrophobicContact CE2-CG 4.28Å; F226-P228 HydrophobicContact CZ-CB 3.68Å; F226-P228 HydrophobicContact CZ-CG 3.74Å |
| 229 | L | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.4 | -176.1 | -60.6 | 179.2 | 0 | 0 | 0 | 108.6 | F51 V52 V53 D54 D175 V178 F179 V253 | F51-L229 HydrophobicContact CD1-CD1 4.46Å; V52-L229 PolarHBondContact O-N 3.46Å; V53-L229 HydrophobicContact CG2-CD1 4.22Å; D54-L229 VanDerWaalsContact CB-O 3.25Å; D54-L229 WeakPolarHBondContact CB-O 3.23Å; D54-L229 PolarHBondContact N-O 3.3Å; D175-L229 HydrophobicContact CB-CD2 4.07Å; D175-L229 VanDerWaalsContact OD1-C 3.26Å; D175-L229 WeakPolarHBondContact OD1-CA 3.45Å; V178-L229 HydrophobicContact CB-CD2 4.11Å; V178-L229 HydrophobicContact CG1-CD2 3.86Å; F179-L229 HydrophobicContact CD1-CD2 4.47Å; F179-L229 HydrophobicContact CE1-CD1 3.97Å; F179-L229 HydrophobicContact CE1-CD2 3.83Å; F179-L229 HydrophobicContact CE2-CD2 4.43Å; F179-L229 HydrophobicContact CZ-CD1 3.62Å; F179-L229 HydrophobicContact CZ-CD2 3.8Å; F179-L229 HydrophobicContact CZ-CG 4.4Å; L229-V253 HydrophobicContact CD1-CG1 3.98Å |
| 230 | S | 90.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 8% | 0.077 | 13% | 0.13 | C | C | . | . | trans | -96.8 | -2.5 | -168 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | D175 M232 | D175-S230 PolarHBondContact OD1-N 2.87Å; S230-M232 PolarHBondContact O-N 2.61Å | ||
| 231 | S | 89.2 | Confident | 90.8 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.1 | -35.1 | -170.9 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | A171 D175 M234 I235 | A171-S231 VanDerWaalsContact O-CB 3.26Å; A171-S231 WeakPolarHBondContact O-CB 3.25Å; D175-S231 VanDerWaalsContact CG-CB 3.45Å; D175-S231 VanDerWaalsContact CG-OG 3.25Å; D175-S231 PolarHBondContact OD1-N 2.87Å; D175-S231 VanDerWaalsContact OD2-CB 3.24Å; D175-S231 WeakPolarHBondContact OD2-CB 3.36Å; D175-S231 PolarHBondContact OD2-OG 2.9Å; S231-M234 PolarHBondContact O-N 3.07Å; S231-I235 WeakPolarHBondContact O-CD1 3.39Å; S231-I235 VanDerWaalsContact O-CG1 3.24Å; S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 2.89Å; S231-I235 VanDerWaalsContact O-N 3.07Å |
| 232 | M | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.3 | -38.4 | -171.4 | -70.1 | -56 | -51.3 | 0 | 0 | 112.3 | V53 D54 S230 I235 G236 Y246 I250 V253 | V53-M232 HydrophobicContact CG1-CB 3.99Å; V53-M232 HydrophobicContact CG1-CG 3.49Å; V53-M232 VanDerWaalsContact CG1-CG 3.49Å; D54-M232 CarbonylContact O-C 3.55Å; D54-M232 WeakPolarHBondContact O-CB 3.23Å; S230-M232 PolarHBondContact O-N 2.61Å; M232-I235 PolarHBondContact O-N 3.09Å; M232-G236 PolarHBondContact O-N 3.48Å; M232-Y246 HydrophobicContact CE-CD1 3.56Å; M232-Y246 HydrophobicContact CE-CD2 3.54Å; M232-Y246 HydrophobicContact CE-CE1 3.36Å; M232-Y246 HydrophobicContact CE-CE2 3.38Å; M232-Y246 HydrophobicContact CE-CG 3.63Å; M232-Y246 WeakPolarHBondContact CE-O 3.23Å; M232-Y246 WeakPolarHBondContact O-CE2 3.47Å; M232-I250 HydrophobicContact CE-CD1 4.45Å; M232-I250 HydrophobicContact CE-CG1 3.64Å; M232-I250 HydrophobicContact SD-CG1 4.23Å; M232-V253 HydrophobicContact CG-CG2 4.21Å; M232-V253 HydrophobicContact SD-CG2 4.45Å |
| 233 | D | 90.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 24 Ų | 24 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 174.1 | -176.6 | 54.7 | 0 | 0 | 0 | 111.5 | D54 I235 G236 H237 H281 M283 H289 | D54-D233 HydrophobicContact CB-CB 4.1Å; D54-D233 PolarHBondContact O-N 2.94Å; D54-D233 WeakPolarHBondContact OD1-CB 3.49Å; D233-I235 PolarHBondContact O-N 2.84Å; D233-G236 CarbonylContact O-C 3.02Å; D233-G236 WeakPolarHBondContact O-CA 3.25Å; D233-G236 PolarHBondContact O-N 3.42Å; D233-H237 PolarHBondContact O-CD2 3.36Å; D233-H237 VanDerWaalsContact O-CD2 3.25Å; D233-H237 PolarHBondContact O-N 3.4Å; D233-H237 IonicContact OD1-CD2 3.82Å; D233-H237 IonicContact OD1-NE2 3Å; D233-H237 PolarHBondContact OD1-NE2 2.76Å; D233-H237 IonicContact OD2-CD2 2.56Å; D233-H237 PolarHBondContact OD2-CD2 3.41Å; D233-H237 IonicContact OD2-NE2 3.49Å; D233-H237 PolarHBondContact OD2-NE2 3.27Å; D233-H281 IonicContact OD1-CE1 3.2Å; D233-M283 WeakPolarHBondContact OD1-CE 3.25Å; D233-H289 IonicContact OD1-CD2 3.13Å; D233-H289 IonicContact OD1-NE2 3.64Å; D233-H289 PolarHBondContact OD1-NE2 2.93Å |
| 234 | M | 86.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 15% | 0.148 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 177 | -71.8 | -169 | 167.3 | 0 | 0 | 112.9 | A165 A171 L174 S231 G236 H237 S238 | A165-M234 VanDerWaalsContact O-CE 3.3Å; A165-M234 WeakPolarHBondContact O-CE 3.35Å; A171-M234 HydrophobicContact CB-CB 3.61Å; A171-M234 HydrophobicContact CB-CG 4.39Å; A171-M234 HydrophobicContact CB-SD 3.98Å; L174-M234 HydrophobicContact CD1-CE 3.79Å; L174-M234 HydrophobicContact CD1-SD 3.48Å; L174-M234 WeakPolarHBondContact CD1-SD 3.44Å; S231-M234 PolarHBondContact O-N 3.07Å; M234-G236 VanDerWaalsContact C-N 3.29Å; M234-G236 PolarHBondContact O-N 3.27Å; M234-H237 PolarHBondContact O-N 3.1Å; M234-S238 WeakPolarHBondContact O-CB 3.08Å; M234-S238 PolarHBondContact O-N 3.14Å; M234-S238 PolarHBondContact O-OG 3.4Å; M234-S238 VanDerWaalsContact O-OG 3.14Å |
| 235 | I | 86.5 | Confident | 89.1 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.2 | -63 | 164.6 | 0 | 0 | 0 | 110.5 | A171 S231 M232 D233 S238 S239 K240 A245 Y246 | A171-I235 HydrophobicContact CB-CG1 4.02Å; S231-I235 WeakPolarHBondContact O-CD1 3.39Å; S231-I235 VanDerWaalsContact O-CG1 3.24Å; S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 2.89Å; S231-I235 VanDerWaalsContact O-N 3.07Å; M232-I235 PolarHBondContact O-N 3.09Å; D233-I235 PolarHBondContact O-N 2.84Å; I235-S238 PolarHBondContact O-OG 3.27Å; I235-S239 WeakPolarHBondContact O-CA 3.27Å; I235-S239 WeakPolarHBondContact O-CB 3.48Å; I235-S239 PolarHBondContact O-N 3.49Å; I235-K240 PolarHBondContact O-N 3.03Å; I235-A245 HydrophobicContact CG2-CB 4.18Å; I235-Y246 HydrophobicContact CB-CD2 4.46Å; I235-Y246 HydrophobicContact CG2-CD2 4.11Å |
| 236 | G | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M232 D233 M234 K240 G287 | M232-G236 PolarHBondContact O-N 3.48Å; D233-G236 CarbonylContact O-C 3.02Å; D233-G236 WeakPolarHBondContact O-CA 3.25Å; D233-G236 PolarHBondContact O-N 3.42Å; M234-G236 VanDerWaalsContact C-N 3.29Å; M234-G236 PolarHBondContact O-N 3.27Å; G236-K240 WeakPolarHBondContact O-CA 3.41Å; G236-K240 PolarHBondContact O-N 3.43Å; G236-G287 WeakPolarHBondContact O-CA 3.41Å |
| 237 | H | 84.6 | Confident | 88.5 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 30% | 0.296 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 175.1 | -78.5 | -65.9 | 0 | 0 | 0 | 112.4 | D233 M234 K240 G287 H289 | D233-H237 PolarHBondContact O-CD2 3.36Å; D233-H237 VanDerWaalsContact O-CD2 3.25Å; D233-H237 PolarHBondContact O-N 3.4Å; D233-H237 IonicContact OD1-CD2 3.82Å; D233-H237 IonicContact OD1-NE2 3Å; D233-H237 PolarHBondContact OD1-NE2 2.76Å; D233-H237 IonicContact OD2-CD2 2.56Å; D233-H237 PolarHBondContact OD2-CD2 3.41Å; D233-H237 IonicContact OD2-NE2 3.49Å; D233-H237 PolarHBondContact OD2-NE2 3.27Å; M234-H237 PolarHBondContact O-N 3.1Å; H237-K240 PolarHBondContact O-NZ 3.49Å; H237-G287 PolarHBondContact ND1-O 3.13Å; H237-H289 AromaticContact CE1-CD2 3.3Å; H237-H289 PolarHBondContact CE1-CD2 3.42Å; H237-H289 AromaticContact CE1-NE2 3.25Å; H237-H289 PolarHBondContact CE1-NE2 3.1Å; H237-H289 VanDerWaalsContact CE1-NE2 3.25Å; H237-H289 AromaticContact NE2-CD2 3.23Å; H237-H289 PolarHBondContact NE2-CD2 3.18Å; H237-H289 AromaticContact NE2-NE2 2.86Å; H237-H289 PolarHBondContact NE2-NE2 3.45Å |
| 238 | S | 79.5 | Confident | 88.2 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -76.4 | -48.1 | -172.7 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | M234 I235 | M234-S238 WeakPolarHBondContact O-CB 3.08Å; M234-S238 PolarHBondContact O-N 3.14Å; M234-S238 PolarHBondContact O-OG 3.4Å; M234-S238 VanDerWaalsContact O-OG 3.14Å; I235-S238 PolarHBondContact O-OG 3.27Å |
| 239 | S | 82.7 | Confident | 88 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -112.5 | -8.9 | -168.8 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | I235 T243 | I235-S239 WeakPolarHBondContact O-CA 3.27Å; I235-S239 WeakPolarHBondContact O-CB 3.48Å; I235-S239 PolarHBondContact O-N 3.49Å; S239-T243 WeakPolarHBondContact O-CB 3.24Å; S239-T243 WeakPolarHBondContact O-CG2 3.48Å; S239-T243 PolarHBondContact O-OG1 2.85Å |
| 240 | K | 85.8 | Confident | 88 | Confident | 68 Ų | 68 | 40 Ų | 40 | 30% | 0.296 | 21% | 0.21 | S | C | . | . | trans | 74 | 145.4 | 178 | -41.3 | -49.8 | -175.5 | -178.4 | 0 | 113.6 | I235 G236 H237 H242 T243 W286 | I235-K240 PolarHBondContact O-N 3.03Å; G236-K240 WeakPolarHBondContact O-CA 3.41Å; G236-K240 PolarHBondContact O-N 3.43Å; H237-K240 PolarHBondContact O-NZ 3.49Å; K240-H242 VanDerWaalsContact CB-CE1 3.49Å; K240-H242 WeakPolarHBondContact CB-CE1 3.41Å; K240-H242 PolarHBondContact O-N 3.09Å; K240-H242 VanDerWaalsContact O-N 3.11Å; K240-T243 PolarHBondContact O-N 3.19Å; K240-T243 PolarHBondContact O-OG1 2.04Å; K240-W286 WeakPolarHBondContact CD-O 3.47Å; K240-W286 WeakPolarHBondContact CE-O 3.5Å; K240-W286 PolarHBondContact NZ-O 2.72Å | ||
| 241 | P | 86.5 | Confident | 88.1 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.8 | -171.2 | -27.4 | 37.8 | 0 | 0 | 0 | 116.9 | Y246 M283 T284 | P241-Y246 HydrophobicContact CB-CD1 4.41Å; P241-Y246 HydrophobicContact CB-CD2 4.45Å; P241-Y246 HydrophobicContact CB-CE1 4.35Å; P241-Y246 HydrophobicContact CB-CE2 4.37Å; P241-Y246 HydrophobicContact CB-CG 4.46Å; P241-Y246 HydrophobicContact CG-CE2 4.49Å; P241-Y246 WeakPolarHBondContact O-CD1 3.48Å; P241-M283 HydrophobicContact CG-CB 3.87Å; P241-M283 HydrophobicContact CG-CG 3.6Å; P241-T284 WeakPolarHBondContact CD-O 3.41Å; P241-T284 WeakPolarHBondContact CG-O 3.13Å |
| 242 | H | 84.4 | Confident | 88.3 | Confident | 128 Ų | 128 | 47.8 Ų | 47.8 | 59% | 0.593 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.3 | -179 | 61.4 | -91.5 | 0 | 0 | 0 | 113.5 | K240 D285 | K240-H242 VanDerWaalsContact CB-CE1 3.49Å; K240-H242 WeakPolarHBondContact CB-CE1 3.41Å; K240-H242 PolarHBondContact O-N 3.09Å; K240-H242 VanDerWaalsContact O-N 3.11Å; H242-D285 PolarHBondContact ND1-O 3.49Å |
| 243 | T | 87.5 | Confident | 88.4 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -87.3 | 156.7 | -176.3 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | S239 K240 A245 Y246 D247 | S239-T243 WeakPolarHBondContact O-CB 3.24Å; S239-T243 WeakPolarHBondContact O-CG2 3.48Å; S239-T243 PolarHBondContact O-OG1 2.85Å; K240-T243 PolarHBondContact O-N 3.19Å; K240-T243 PolarHBondContact O-OG1 2.04Å; T243-A245 PolarHBondContact O-N 2.98Å; T243-Y246 WeakPolarHBondContact O-CB 3.22Å; T243-Y246 PolarHBondContact O-N 3.4Å; T243-Y246 VanDerWaalsContact O-N 3.09Å; T243-D247 PolarHBondContact O-N 3.44Å |
| 244 | E | 88.2 | Confident | 88.7 | Confident | 155 Ų | 155 | 47.3 Ų | 47.3 | 72% | 0.724 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.9 | -27.4 | 175.4 | -171.8 | 177.8 | -177.6 | 0 | 0 | 112.7 | D247 K248 | E244-D247 PolarHBondContact O-N 2.94Å; E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.39Å |
| 245 | A | 87.2 | Confident | 89.1 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I235 T243 K248 G249 | I235-A245 HydrophobicContact CG2-CB 4.18Å; T243-A245 PolarHBondContact O-N 2.98Å; A245-K248 PolarHBondContact O-N 2.9Å; A245-G249 PolarHBondContact O-N 3.36Å |
| 246 | Y | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 177 | -163.2 | -90.4 | 0 | 0 | 0 | 111.1 | G55 M232 I235 P241 T243 K248 G249 I250 | G55-Y246 PolarHBondContact O-OH 3.02Å; M232-Y246 HydrophobicContact CE-CD1 3.56Å; M232-Y246 HydrophobicContact CE-CD2 3.54Å; M232-Y246 HydrophobicContact CE-CE1 3.36Å; M232-Y246 HydrophobicContact CE-CE2 3.38Å; M232-Y246 HydrophobicContact CE-CG 3.63Å; M232-Y246 WeakPolarHBondContact CE-O 3.23Å; M232-Y246 WeakPolarHBondContact O-CE2 3.47Å; I235-Y246 HydrophobicContact CB-CD2 4.46Å; I235-Y246 HydrophobicContact CG2-CD2 4.11Å; P241-Y246 HydrophobicContact CB-CD1 4.41Å; P241-Y246 HydrophobicContact CB-CD2 4.45Å; P241-Y246 HydrophobicContact CB-CE1 4.35Å; P241-Y246 HydrophobicContact CB-CE2 4.37Å; P241-Y246 HydrophobicContact CB-CG 4.46Å; P241-Y246 HydrophobicContact CG-CE2 4.49Å; P241-Y246 WeakPolarHBondContact O-CD1 3.48Å; T243-Y246 WeakPolarHBondContact O-CB 3.22Å; T243-Y246 PolarHBondContact O-N 3.4Å; T243-Y246 VanDerWaalsContact O-N 3.09Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 2.84Å; Y246-G249 WeakPolarHBondContact O-CA 3.47Å; Y246-G249 PolarHBondContact O-N 3Å; Y246-I250 HydrophobicContact CD1-CD1 4.02Å; Y246-I250 HydrophobicContact CD1-CG1 4.44Å; Y246-I250 HydrophobicContact CE1-CD1 3.96Å; Y246-I250 HydrophobicContact CE1-CG1 4.4Å; Y246-I250 PolarHBondContact O-N 3.29Å |
| 247 | D | 91.2 | Very high | 89.9 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 174.6 | -83.3 | 4.2 | 0 | 0 | 0 | 113 | K71 T243 E244 I250 R251 | K71-D247 WeakPolarHBondContact CD-OD1 3.48Å; K71-D247 WeakPolarHBondContact CE-OD1 3.49Å; K71-D247 WeakPolarHBondContact CE-OD2 3.5Å; K71-D247 IonicContact NZ-OD1 3.84Å; K71-D247 PolarHBondContact NZ-OD1 3.31Å; K71-D247 IonicContact NZ-OD2 3.73Å; T243-D247 PolarHBondContact O-N 3.44Å; E244-D247 PolarHBondContact O-N 2.94Å; D247-I250 PolarHBondContact O-N 3.47Å; D247-R251 PolarHBondContact O-N 3.01Å |
| 248 | K | 90.6 | Very high | 90.5 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 54% | 0.543 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.9 | -175.4 | -178.8 | 175.7 | -176.7 | 0 | 111.1 | E244 A245 Y246 R251 M252 | E244-K248 WeakPolarHBondContact O-CB 3.49Å; E244-K248 PolarHBondContact O-N 3.39Å; A245-K248 PolarHBondContact O-N 2.9Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 2.84Å; K248-R251 PolarHBondContact O-N 3.29Å; K248-M252 HydrophobicContact CG-SD 4.39Å; K248-M252 WeakPolarHBondContact O-CG 3.38Å; K248-M252 PolarHBondContact O-N 3.33Å; K248-M252 VanDerWaalsContact O-N 3.09Å |
| 249 | G | 91.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A245 Y246 R251 M252 V253 | A245-G249 PolarHBondContact O-N 3.36Å; Y246-G249 WeakPolarHBondContact O-CA 3.47Å; Y246-G249 PolarHBondContact O-N 3Å; G249-R251 VanDerWaalsContact C-N 3.32Å; G249-R251 PolarHBondContact O-N 2.86Å; G249-M252 WeakPolarHBondContact O-CB 3.42Å; G249-M252 PolarHBondContact O-N 2.94Å; G249-V253 PolarHBondContact O-N 2.99Å |
| 250 | I | 93.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 177.5 | -63.9 | 173.7 | 0 | 0 | 0 | 111.4 | L56 S60 L61 K71 M232 Y246 D247 M252 V253 D254 | L56-I250 HydrophobicContact CD1-CD1 4.07Å; L56-I250 HydrophobicContact CD1-CG1 3.96Å; S60-I250 WeakPolarHBondContact O-CD1 3.45Å; L61-I250 HydrophobicContact CD1-CG2 3.99Å; K71-I250 HydrophobicContact CB-CG2 4.01Å; K71-I250 HydrophobicContact CD-CD1 4.33Å; M232-I250 HydrophobicContact CE-CD1 4.45Å; M232-I250 HydrophobicContact CE-CG1 3.64Å; M232-I250 HydrophobicContact SD-CG1 4.23Å; Y246-I250 HydrophobicContact CD1-CD1 4.02Å; Y246-I250 HydrophobicContact CD1-CG1 4.44Å; Y246-I250 HydrophobicContact CE1-CD1 3.96Å; Y246-I250 HydrophobicContact CE1-CG1 4.4Å; Y246-I250 PolarHBondContact O-N 3.29Å; D247-I250 PolarHBondContact O-N 3.47Å; I250-M252 VanDerWaalsContact C-N 3.29Å; I250-M252 PolarHBondContact O-N 3.1Å; I250-V253 PolarHBondContact O-N 3.17Å; I250-D254 WeakPolarHBondContact O-CB 3.17Å; I250-D254 PolarHBondContact O-N 3.45Å |
| 251 | R | 93.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 38% | 0.377 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -36.8 | 177.4 | -75.9 | -174.9 | -69.1 | -93 | 5.8 | 112.6 | K71 D247 K248 G249 Q255 | K71-R251 WeakPolarHBondContact O-CG 3.37Å; D247-R251 PolarHBondContact O-N 3.01Å; K248-R251 PolarHBondContact O-N 3.29Å; G249-R251 VanDerWaalsContact C-N 3.32Å; G249-R251 PolarHBondContact O-N 2.86Å; R251-Q255 WeakPolarHBondContact O-CB 3.32Å; R251-Q255 PolarHBondContact O-N 3.18Å; R251-Q255 VanDerWaalsContact O-N 3.1Å |
| 252 | M | 92.7 | Very high | 92.5 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71 | -42.7 | 178.8 | -68.6 | -180 | 69.4 | 0 | 0 | 111.7 | Y172 K248 G249 I250 Q255 G256 | Y172-M252 HydrophobicContact CD2-CE 3.49Å; Y172-M252 VanDerWaalsContact CD2-CE 3.49Å; Y172-M252 HydrophobicContact CE2-CE 4.36Å; Y172-M252 HydrophobicContact CG-CE 3.71Å; Y172-M252 HydrophobicContact CG-SD 4.33Å; K248-M252 HydrophobicContact CG-SD 4.39Å; K248-M252 WeakPolarHBondContact O-CG 3.38Å; K248-M252 PolarHBondContact O-N 3.33Å; K248-M252 VanDerWaalsContact O-N 3.09Å; G249-M252 WeakPolarHBondContact O-CB 3.42Å; G249-M252 PolarHBondContact O-N 2.94Å; I250-M252 VanDerWaalsContact C-N 3.29Å; I250-M252 PolarHBondContact O-N 3.1Å; M252-Q255 PolarHBondContact O-N 3.01Å; M252-G256 PolarHBondContact O-N 2.99Å |
| 253 | V | 95.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V53 D175 L229 M232 G249 I250 Q255 G256 I257 | V53-V253 HydrophobicContact CG1-CG1 4.23Å; V53-V253 HydrophobicContact CG1-CG2 4.32Å; V53-V253 HydrophobicContact CG2-CG1 3.81Å; D175-V253 WeakPolarHBondContact OD2-CG2 3.25Å; L229-V253 HydrophobicContact CD1-CG1 3.98Å; M232-V253 HydrophobicContact CG-CG2 4.21Å; M232-V253 HydrophobicContact SD-CG2 4.45Å; G249-V253 PolarHBondContact O-N 2.99Å; I250-V253 PolarHBondContact O-N 3.17Å; V253-Q255 VanDerWaalsContact C-N 3.35Å; V253-Q255 PolarHBondContact O-N 3.1Å; V253-G256 PolarHBondContact O-N 3.5Å; V253-I257 HydrophobicContact CG1-CD1 3.75Å; V253-I257 HydrophobicContact CG1-CG1 4.37Å; V253-I257 WeakPolarHBondContact O-CG1 3.29Å; V253-I257 PolarHBondContact O-N 3.39Å |
| 254 | D | 96.1 | Very high | 93 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 177.4 | -173.4 | 73.2 | 0 | 0 | 0 | 111.9 | S72 P73 F74 L75 I250 K258 | S72-D254 VanDerWaalsContact C-OD1 3.32Å; S72-D254 WeakPolarHBondContact CA-OD1 3.37Å; S72-D254 WeakPolarHBondContact CB-OD1 3.43Å; P73-D254 WeakPolarHBondContact CD-OD2 3.28Å; F74-D254 WeakPolarHBondContact CB-OD1 3.09Å; F74-D254 WeakPolarHBondContact CB-OD2 3.35Å; F74-D254 PolarHBondContact N-OD1 3.26Å; F74-D254 PolarHBondContact N-OD2 3.35Å; L75-D254 WeakPolarHBondContact CB-OD1 3.42Å; L75-D254 VanDerWaalsContact CG-OD1 3.27Å; L75-D254 WeakPolarHBondContact CG-OD1 3.45Å; L75-D254 PolarHBondContact N-OD1 3.08Å; I250-D254 WeakPolarHBondContact O-CB 3.17Å; I250-D254 PolarHBondContact O-N 3.45Å; D254-K258 WeakPolarHBondContact O-CB 3.29Å; D254-K258 PolarHBondContact O-N 2.95Å |
| 255 | Q | 95.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -40 | 177.7 | -179.5 | 59.9 | 27.8 | 0 | 0 | 112.4 | R251 M252 V253 K258 E259 | R251-Q255 WeakPolarHBondContact O-CB 3.32Å; R251-Q255 PolarHBondContact O-N 3.18Å; R251-Q255 VanDerWaalsContact O-N 3.1Å; M252-Q255 PolarHBondContact O-N 3.01Å; V253-Q255 VanDerWaalsContact C-N 3.35Å; V253-Q255 PolarHBondContact O-N 3.1Å; Q255-K258 WeakPolarHBondContact O-CB 3.35Å; Q255-K258 PolarHBondContact O-N 2.86Å; Q255-E259 PolarHBondContact NE2-OE1 3.16Å; Q255-E259 WeakPolarHBondContact O-CG 2.97Å; Q255-E259 PolarHBondContact O-N 3.36Å; Q255-E259 VanDerWaalsContact O-N 3.07Å |
| 256 | G | 94.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M252 V253 E259 L260 | M252-G256 PolarHBondContact O-N 2.99Å; V253-G256 PolarHBondContact O-N 3.5Å; G256-E259 PolarHBondContact O-N 2.97Å; G256-L260 PolarHBondContact O-N 3.08Å; G256-L260 VanDerWaalsContact O-N 3.12Å |
| 257 | I | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 176.1 | -64.3 | 171.5 | 0 | 0 | 0 | 110.5 | F51 F74 L75 F179 V253 E259 L260 Y261 V277 W304 | F51-I257 HydrophobicContact CB-CD1 4.41Å; F51-I257 HydrophobicContact CD1-CD1 4.41Å; F51-I257 HydrophobicContact CD1-CG1 3.94Å; F51-I257 HydrophobicContact CD2-CG2 4.33Å; F51-I257 HydrophobicContact CE1-CG1 4.08Å; F51-I257 HydrophobicContact CE1-CG2 4.49Å; F51-I257 HydrophobicContact CE2-CG2 4.03Å; F51-I257 HydrophobicContact CG-CD1 4.32Å; F51-I257 HydrophobicContact CG-CG1 4.26Å; F51-I257 HydrophobicContact CZ-CG2 4.12Å; F74-I257 HydrophobicContact CD1-CG2 4.39Å; F74-I257 HydrophobicContact CE1-CG2 3.91Å; L75-I257 HydrophobicContact CD1-CD1 4.45Å; L75-I257 HydrophobicContact CD2-CD1 4.32Å; L75-I257 HydrophobicContact CD2-CG2 4.32Å; F179-I257 HydrophobicContact CE1-CG1 4.43Å; F179-I257 HydrophobicContact CZ-CG1 4.4Å; V253-I257 HydrophobicContact CG1-CD1 3.75Å; V253-I257 HydrophobicContact CG1-CG1 4.37Å; V253-I257 WeakPolarHBondContact O-CG1 3.29Å; V253-I257 PolarHBondContact O-N 3.39Å; I257-E259 PolarHBondContact O-N 3.33Å; I257-L260 PolarHBondContact O-N 3.06Å; I257-Y261 WeakPolarHBondContact O-CB 3.46Å; I257-Y261 PolarHBondContact O-N 3.05Å; I257-V277 HydrophobicContact CD1-CG1 4.28Å; I257-V277 HydrophobicContact CD1-CG2 4.14Å; I257-V277 HydrophobicContact CG2-CG2 4.47Å; I257-W304 HydrophobicContact CG2-CH2 4.27Å |
| 258 | K | 97.5 | Very high | 93.1 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.3 | -48.4 | 176.1 | 177.6 | -178.7 | 176 | -174.8 | 0 | 112.3 | F74 D254 Q255 Y261 Y262 | F74-K258 HydrophobicContact CB-CB 4Å; F74-K258 HydrophobicContact CB-CD 4.21Å; F74-K258 HydrophobicContact CB-CG 4.32Å; F74-K258 HydrophobicContact CD1-CB 3.8Å; F74-K258 HydrophobicContact CD2-CB 3.71Å; F74-K258 HydrophobicContact CD2-CD 4.05Å; F74-K258 HydrophobicContact CD2-CG 3.53Å; F74-K258 HydrophobicContact CE1-CB 4.21Å; F74-K258 HydrophobicContact CE2-CB 4.09Å; F74-K258 HydrophobicContact CE2-CG 3.9Å; F74-K258 HydrophobicContact CG-CB 3.53Å; F74-K258 HydrophobicContact CG-CD 4.28Å; F74-K258 HydrophobicContact CG-CG 3.87Å; F74-K258 HydrophobicContact CZ-CB 4.33Å; D254-K258 WeakPolarHBondContact O-CB 3.29Å; D254-K258 PolarHBondContact O-N 2.95Å; Q255-K258 WeakPolarHBondContact O-CB 3.35Å; Q255-K258 PolarHBondContact O-N 2.86Å; K258-Y261 PolarHBondContact O-N 3.33Å; K258-Y262 HydrophobicContact CG-CD2 4.08Å; K258-Y262 HydrophobicContact CG-CE2 3.74Å; K258-Y262 WeakPolarHBondContact O-CD2 3.15Å; K258-Y262 PolarHBondContact O-N 3.04Å |
| 259 | E | 94.3 | Very high | 93 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | -179.9 | -72.6 | 175.1 | -163.4 | 0 | 0 | 111.8 | K183 Q255 G256 I257 Y262 I263 | K183-E259 IonicContact NZ-OE2 3.25Å; K183-E259 PolarHBondContact NZ-OE2 3.05Å; Q255-E259 PolarHBondContact NE2-OE1 3.16Å; Q255-E259 WeakPolarHBondContact O-CG 2.97Å; Q255-E259 PolarHBondContact O-N 3.36Å; Q255-E259 VanDerWaalsContact O-N 3.07Å; G256-E259 PolarHBondContact O-N 2.97Å; I257-E259 PolarHBondContact O-N 3.33Å; E259-Y262 PolarHBondContact O-N 3.48Å; E259-I263 VanDerWaalsContact O-CG1 3.28Å; E259-I263 WeakPolarHBondContact O-CG1 3.33Å; E259-I263 PolarHBondContact O-N 3.36Å; E259-I263 VanDerWaalsContact O-N 3.15Å |
| 260 | L | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.9 | -73.8 | -165.9 | 0 | 0 | 0 | 112.6 | F51 F179 F182 K183 L227 G256 I257 Y262 I263 I264 | F51-L260 HydrophobicContact CE1-CD1 3.94Å; F51-L260 HydrophobicContact CZ-CB 4.44Å; F51-L260 HydrophobicContact CZ-CD1 4.35Å; F179-L260 HydrophobicContact CD1-CD1 3.52Å; F179-L260 HydrophobicContact CD1-CG 4.07Å; F179-L260 HydrophobicContact CE1-CD1 4.08Å; F182-L260 HydrophobicContact CB-CD1 4.28Å; F182-L260 HydrophobicContact CB-CD2 4.24Å; F182-L260 HydrophobicContact CD1-CD1 4.04Å; F182-L260 HydrophobicContact CD1-CD2 3.36Å; F182-L260 HydrophobicContact CD1-CG 4.26Å; F182-L260 HydrophobicContact CE1-CD2 4.01Å; F182-L260 HydrophobicContact CG-CD1 4.08Å; F182-L260 HydrophobicContact CG-CD2 4.07Å; K183-L260 HydrophobicContact CG-CD2 3.76Å; L227-L260 HydrophobicContact CD2-CD1 3.49Å; L227-L260 VanDerWaalsContact CD2-CD1 3.49Å; G256-L260 PolarHBondContact O-N 3.08Å; G256-L260 VanDerWaalsContact O-N 3.12Å; I257-L260 PolarHBondContact O-N 3.06Å; L260-Y262 PolarHBondContact O-N 3.2Å; L260-I263 PolarHBondContact O-N 3.42Å; L260-I264 HydrophobicContact CB-CD1 4.44Å; L260-I264 WeakPolarHBondContact O-CD1 3.47Å; L260-I264 WeakPolarHBondContact O-CG1 3.42Å; L260-I264 PolarHBondContact O-N 3.38Å |
| 261 | Y | 95 | Very high | 93.1 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.1 | -52.2 | 175.8 | 168.2 | -96.4 | 0 | 0 | 0 | 111.6 | F74 I257 K258 I263 I264 E265 Y275 W304 | F74-Y261 AromaticContact CE2-CD1 3.98Å; F74-Y261 HydrophobicContact CE2-CD1 3.98Å; F74-Y261 HydrophobicContact CE2-CG 4.36Å; F74-Y261 AromaticContact CZ-CD1 3.8Å; F74-Y261 HydrophobicContact CZ-CD1 3.8Å; F74-Y261 HydrophobicContact CZ-CD2 4.41Å; F74-Y261 AromaticContact CZ-CG 3.7Å; F74-Y261 HydrophobicContact CZ-CG 3.7Å; I257-Y261 WeakPolarHBondContact O-CB 3.46Å; I257-Y261 PolarHBondContact O-N 3.05Å; K258-Y261 PolarHBondContact O-N 3.33Å; Y261-I263 VanDerWaalsContact C-N 3.33Å; Y261-I263 PolarHBondContact O-N 3.24Å; Y261-I264 PolarHBondContact O-N 2.97Å; Y261-E265 HydrophobicContact CD2-CG 4.15Å; Y261-E265 HydrophobicContact CE1-CG 4.2Å; Y261-E265 HydrophobicContact CE2-CG 3.73Å; Y261-E265 WeakPolarHBondContact O-CG 3.43Å; Y261-E265 PolarHBondContact O-N 2.98Å; Y261-Y275 HydrophobicContact CD2-CD2 4.36Å; Y261-Y275 HydrophobicContact CD2-CE1 4.08Å; Y261-Y275 AromaticContact CD2-CE2 3.89Å; Y261-Y275 HydrophobicContact CD2-CE2 3.89Å; Y261-Y275 AromaticContact CD2-CZ 3.73Å; Y261-Y275 HydrophobicContact CE2-CD2 4.42Å; Y261-Y275 AromaticContact CE2-CE2 3.89Å; Y261-Y275 HydrophobicContact CE2-CE2 3.89Å; Y261-W304 HydrophobicContact CD2-CZ2 4.48Å; Y261-W304 AromaticContact CD2-NE1 3.57Å; Y261-W304 AromaticContact CE2-NE1 3.48Å |
| 262 | Y | 94 | Very high | 93.3 | Very high | 120 Ų | 120 | 51.9 Ų | 51.9 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 179.8 | -72.3 | -63.9 | 0 | 0 | 0 | 113 | K258 E259 L260 I264 D266 | K258-Y262 HydrophobicContact CG-CD2 4.08Å; K258-Y262 HydrophobicContact CG-CE2 3.74Å; K258-Y262 WeakPolarHBondContact O-CD2 3.15Å; K258-Y262 PolarHBondContact O-N 3.04Å; E259-Y262 PolarHBondContact O-N 3.48Å; L260-Y262 PolarHBondContact O-N 3.2Å; Y262-I264 VanDerWaalsContact C-N 3.35Å; Y262-D266 WeakPolarHBondContact O-CB 3.19Å; Y262-D266 PolarHBondContact O-N 2.98Å |
| 263 | I | 90.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.8 | -72.5 | 170.2 | 0 | 0 | 0 | 111.3 | K183 V186 E259 L260 Y261 Y267 | K183-I263 HydrophobicContact CD-CD1 4.2Å; K183-I263 HydrophobicContact CG-CD1 3.73Å; V186-I263 HydrophobicContact CB-CG2 4.06Å; V186-I263 HydrophobicContact CG1-CG2 3.65Å; V186-I263 HydrophobicContact CG2-CG2 4.37Å; E259-I263 VanDerWaalsContact O-CG1 3.28Å; E259-I263 WeakPolarHBondContact O-CG1 3.33Å; E259-I263 PolarHBondContact O-N 3.36Å; E259-I263 VanDerWaalsContact O-N 3.15Å; L260-I263 PolarHBondContact O-N 3.42Å; Y261-I263 VanDerWaalsContact C-N 3.33Å; Y261-I263 PolarHBondContact O-N 3.24Å; I263-Y267 WeakPolarHBondContact O-CB 3.25Å; I263-Y267 PolarHBondContact O-N 2.92Å |
| 264 | I | 91.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | -179.1 | -66.1 | 160.1 | 0 | 0 | 0 | 110.3 | V49 F182 L260 Y261 Y262 D266 Y267 F268 T273 Y275 | V49-I264 HydrophobicContact CG1-CD1 4.4Å; V49-I264 HydrophobicContact CG2-CD1 4.08Å; F182-I264 HydrophobicContact CE1-CD1 3.83Å; F182-I264 HydrophobicContact CE1-CG1 3.7Å; F182-I264 HydrophobicContact CZ-CD1 3.64Å; F182-I264 HydrophobicContact CZ-CG1 3.74Å; L260-I264 HydrophobicContact CB-CD1 4.44Å; L260-I264 WeakPolarHBondContact O-CD1 3.47Å; L260-I264 WeakPolarHBondContact O-CG1 3.42Å; L260-I264 PolarHBondContact O-N 3.38Å; Y261-I264 PolarHBondContact O-N 2.97Å; Y262-I264 VanDerWaalsContact C-N 3.35Å; I264-D266 PolarHBondContact O-N 2.96Å; I264-Y267 PolarHBondContact O-N 3.41Å; I264-F268 HydrophobicContact CG2-CD2 3.82Å; I264-F268 HydrophobicContact CG2-CE2 4.1Å; I264-F268 WeakPolarHBondContact O-CD2 3.49Å; I264-F268 PolarHBondContact O-N 2.96Å; I264-F268 VanDerWaalsContact O-N 3.08Å; I264-T273 HydrophobicContact CG2-CG2 4.2Å; I264-Y275 HydrophobicContact CD1-CE1 4.09Å; I264-Y275 HydrophobicContact CG2-CE1 4.42Å; I264-Y275 WeakPolarHBondContact CG2-OH 3.31Å |
| 265 | E | 92.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.8 | -67.9 | -57.2 | 127.2 | 0 | 0 | 112.1 | Y261 A269 Y275 | Y261-E265 HydrophobicContact CD2-CG 4.15Å; Y261-E265 HydrophobicContact CE1-CG 4.2Å; Y261-E265 HydrophobicContact CE2-CG 3.73Å; Y261-E265 WeakPolarHBondContact O-CG 3.43Å; Y261-E265 PolarHBondContact O-N 2.98Å; E265-A269 WeakPolarHBondContact O-CA 3.39Å; E265-A269 PolarHBondContact O-N 3Å; E265-Y275 VanDerWaalsContact OE1-CE2 3.31Å; E265-Y275 WeakPolarHBondContact OE1-CE2 3.45Å; E265-Y275 PolarHBondContact OE1-OH 2.94Å |
| 266 | D | 89 | Confident | 93.9 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 69% | 0.69 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.3 | -38 | 174.3 | -177.9 | 66.4 | 0 | 0 | 0 | 112.4 | Y262 I264 | Y262-D266 WeakPolarHBondContact O-CB 3.19Å; Y262-D266 PolarHBondContact O-N 2.98Å; I264-D266 PolarHBondContact O-N 2.96Å |
| 267 | Y | 87.3 | Confident | 94.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -51.5 | -177.5 | -178.1 | -100.4 | 0 | 0 | 0 | 113.1 | V186 M189 T190 K193 N215 V218 H219 I263 I264 | V186-Y267 HydrophobicContact CG1-CD2 3.81Å; V186-Y267 HydrophobicContact CG1-CE2 4.47Å; V186-Y267 HydrophobicContact CG1-CG 3.89Å; M189-Y267 HydrophobicContact CB-CE2 3.86Å; M189-Y267 VanDerWaalsContact CB-OH 3.25Å; M189-Y267 WeakPolarHBondContact CB-OH 3.22Å; M189-Y267 HydrophobicContact CE-CE1 3.82Å; T190-Y267 VanDerWaalsContact OG1-CD2 3.24Å; T190-Y267 WeakPolarHBondContact OG1-CD2 3.19Å; K193-Y267 PolarHBondContact NZ-O 2.73Å; N215-Y267 PolarHBondContact OD1-OH 3.39Å; V218-Y267 HydrophobicContact CG2-CE1 4.39Å; H219-Y267 AromaticContact CE1-CE1 3.68Å; I263-Y267 WeakPolarHBondContact O-CB 3.25Å; I263-Y267 PolarHBondContact O-N 2.92Å; I264-Y267 PolarHBondContact O-N 3.41Å |
| 268 | F | 89.9 | Confident | 94.1 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85 | -41.1 | -177.1 | -69.7 | -72.8 | 0 | 0 | 0 | 112.5 | R47 V218 H219 F225 I264 D270 | R47-F268 VanDerWaalsContact CD-CZ 3.44Å; V218-F268 HydrophobicContact CB-CE1 4.41Å; V218-F268 HydrophobicContact CB-CZ 4.25Å; V218-F268 HydrophobicContact CG2-CE1 4.18Å; V218-F268 HydrophobicContact CG2-CZ 4.31Å; H219-F268 AromaticContact CD2-CD1 3.96Å; H219-F268 AromaticContact NE2-CD1 3.78Å; F225-F268 HydrophobicContact CE2-CE2 4.4Å; F225-F268 HydrophobicContact CE2-CZ 4.36Å; F225-F268 HydrophobicContact CZ-CZ 4.33Å; I264-F268 HydrophobicContact CG2-CD2 3.82Å; I264-F268 HydrophobicContact CG2-CE2 4.1Å; I264-F268 WeakPolarHBondContact O-CD2 3.49Å; I264-F268 PolarHBondContact O-N 2.96Å; I264-F268 VanDerWaalsContact O-N 3.08Å; F268-D270 VanDerWaalsContact C-N 3.26Å; F268-D270 PolarHBondContact O-N 3.48Å |
| 269 | A | 90 | Very high | 94.1 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 65% | 0.653 | 20% | 0.199 | S | C | * | . | trans | 50.1 | 39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | E265 | E265-A269 WeakPolarHBondContact O-CA 3.39Å; E265-A269 PolarHBondContact O-N 3Å | ||
| 270 | D | 93.7 | Very high | 94.2 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -127.8 | -4.7 | -176.3 | 65.5 | 1.9 | 0 | 0 | 0 | 114.1 | R47 F268 R272 | R47-D270 IonicContact CZ-OD1 3.93Å; R47-D270 IonicContact CZ-OD2 2.7Å; R47-D270 VanDerWaalsContact CZ-OD2 3.25Å; R47-D270 IonicContact NH1-OD1 2.82Å; R47-D270 IonicContact NH1-OD2 3.35Å; R47-D270 PolarHBondContact NH1-OD2 2.95Å; R47-D270 IonicContact NH2-OD1 3.91Å; R47-D270 PolarHBondContact NH2-OD1 3.45Å; R47-D270 IonicContact NH2-OD2 3.08Å; R47-D270 PolarHBondContact NH2-OD2 3.45Å; F268-D270 VanDerWaalsContact C-N 3.26Å; F268-D270 PolarHBondContact O-N 3.48Å; D270-R272 HydrophobicContact CB-CG 4.15Å; D270-R272 WeakPolarHBondContact O-CG 3.41Å; D270-R272 PolarHBondContact O-N 3.28Å; D270-R272 VanDerWaalsContact O-N 3.17Å; D270-R272 PolarHBondContact OD1-N 2.76Å |
| 271 | E | 93.7 | Very high | 94.3 | Very high | 155 Ų | 155 | 36.7 Ų | 36.7 | 72% | 0.724 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 56 | 24.4 | -175.1 | -54.9 | -177.7 | 178.3 | 0 | 0 | 114.3 | S306 | E271-S306 VanDerWaalsContact O-CB 3.25Å; E271-S306 WeakPolarHBondContact O-CB 3.19Å; E271-S306 PolarHBondContact O-OG 3.04Å |
| 272 | R | 96.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 35 Ų | 35 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | trans | -101 | 19.9 | -178.2 | -62.3 | -70.4 | -64.5 | 157.5 | 5 | 113.9 | P43 P44 D46 R47 D270 | P43-R272 PolarHBondContact O-NH2 2.92Å; P44-R272 VanDerWaalsContact C-NH1 3.27Å; P44-R272 PolarHBondContact O-NH1 2.73Å; D46-R272 HydrophobicContact CB-CB 4.24Å; D46-R272 PolarHBondContact N-O 3.17Å; D46-R272 IonicContact OD1-CZ 2.74Å; D46-R272 IonicContact OD1-NE 2.69Å; D46-R272 IonicContact OD1-NH2 2.71Å; D46-R272 PolarHBondContact OD1-NH2 2.73Å; D46-R272 WeakPolarHBondContact OD2-CB 3.49Å; D46-R272 WeakPolarHBondContact OD2-CG 3.34Å; D46-R272 IonicContact OD2-CZ 2.91Å; D46-R272 IonicContact OD2-NE 3.65Å; D46-R272 PolarHBondContact OD2-NE 2.66Å; D46-R272 IonicContact OD2-NH2 3.99Å; D46-R272 PolarHBondContact OD2-NH2 2.93Å; R47-R272 PolarHBondContact N-O 2.96Å; R47-R272 PolarHBondContact NH2-O 3.08Å; D270-R272 HydrophobicContact CB-CG 4.15Å; D270-R272 WeakPolarHBondContact O-CG 3.41Å; D270-R272 PolarHBondContact O-N 3.28Å; D270-R272 VanDerWaalsContact O-N 3.17Å; D270-R272 PolarHBondContact OD1-N 2.76Å | ||
| 273 | T | 97.6 | Very high | 94 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133 | 180 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | R47 V49 I264 Y275 S306 | R47-T273 HydrophobicContact CB-CG2 4.29Å; R47-T273 PolarHBondContact NE-OG1 3.4Å; R47-T273 VanDerWaalsContact NE-OG1 3.15Å; R47-T273 PolarHBondContact NH2-OG1 3.45Å; V49-T273 HydrophobicContact CG2-CG2 3.78Å; I264-T273 HydrophobicContact CG2-CG2 4.2Å; T273-Y275 HydrophobicContact CG2-CD2 4.36Å; T273-Y275 HydrophobicContact CG2-CE1 4Å; T273-Y275 HydrophobicContact CG2-CE2 3.73Å; T273-S306 PolarHBondContact O-N 3.47Å |
| 274 | A | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 146.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A45 R47 L48 V49 L339 | A45-A274 HydrophobicContact CB-CB 3.9Å; R47-A274 PolarHBondContact O-N 3.17Å; L48-A274 CarbonylContact C-O 3.11Å; L48-A274 WeakPolarHBondContact CA-O 3.44Å; L48-A274 HydrophobicContact CD1-CB 3.89Å; V49-A274 PolarHBondContact N-O 2.91Å; A274-L339 HydrophobicContact CB-CB 4.37Å; A274-L339 HydrophobicContact CB-CD1 4.11Å; A274-L339 HydrophobicContact CB-CD2 4.3Å; A274-L339 HydrophobicContact CB-CG 4.5Å |
| 275 | Y | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.3 | -177.3 | -60.8 | -91.5 | 0 | 0 | 0 | 110.1 | V49 F51 Y261 I264 E265 T273 A303 W304 | V49-Y275 HydrophobicContact CB-CD1 3.72Å; V49-Y275 HydrophobicContact CB-CE1 4.04Å; V49-Y275 HydrophobicContact CG1-CD1 4.35Å; V49-Y275 HydrophobicContact CG2-CD1 3.95Å; V49-Y275 HydrophobicContact CG2-CE1 3.76Å; V49-Y275 WeakPolarHBondContact O-CA 3.44Å; F51-Y275 HydrophobicContact CE2-CD1 4.31Å; Y261-Y275 HydrophobicContact CD2-CD2 4.36Å; Y261-Y275 HydrophobicContact CD2-CE1 4.08Å; Y261-Y275 AromaticContact CD2-CE2 3.89Å; Y261-Y275 HydrophobicContact CD2-CE2 3.89Å; Y261-Y275 AromaticContact CD2-CZ 3.73Å; Y261-Y275 HydrophobicContact CE2-CD2 4.42Å; Y261-Y275 AromaticContact CE2-CE2 3.89Å; Y261-Y275 HydrophobicContact CE2-CE2 3.89Å; I264-Y275 HydrophobicContact CD1-CE1 4.09Å; I264-Y275 HydrophobicContact CG2-CE1 4.42Å; I264-Y275 WeakPolarHBondContact CG2-OH 3.31Å; E265-Y275 VanDerWaalsContact OE1-CE2 3.31Å; E265-Y275 WeakPolarHBondContact OE1-CE2 3.45Å; E265-Y275 PolarHBondContact OE1-OH 2.94Å; T273-Y275 HydrophobicContact CG2-CD2 4.36Å; T273-Y275 HydrophobicContact CG2-CE1 4Å; T273-Y275 HydrophobicContact CG2-CE2 3.73Å; Y275-A303 VanDerWaalsContact O-CA 3.25Å; Y275-A303 WeakPolarHBondContact O-CA 3.46Å; Y275-W304 VanDerWaalsContact CB-CZ2 3.47Å; Y275-W304 HydrophobicContact CD1-CZ2 4.1Å; Y275-W304 AromaticContact CD2-CD1 3.86Å; Y275-W304 AromaticContact CD2-CE2 3.96Å; Y275-W304 HydrophobicContact CD2-CZ2 4.48Å; Y275-W304 AromaticContact CD2-NE1 3.46Å; Y275-W304 HydrophobicContact CG-CD2 4.34Å; Y275-W304 AromaticContact CG-CE2 3.66Å; Y275-W304 AromaticContact CG-CZ2 3.79Å; Y275-W304 HydrophobicContact CG-CZ2 3.79Å; Y275-W304 AromaticContact CG-NE1 3.66Å; Y275-W304 PolarHBondContact N-O 2.99Å; Y275-W304 PolarHBondContact O-N 3.33Å |
| 276 | I | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.2 | 173.3 | -62.7 | -179.3 | 0 | 0 | 0 | 108.6 | L48 V49 L50 F51 L301 I302 A303 I332 L335 M336 L339 | L48-I276 HydrophobicContact CD1-CD1 4.04Å; L48-I276 HydrophobicContact CD1-CG1 4.1Å; V49-I276 PolarHBondContact O-N 3.35Å; L50-I276 HydrophobicContact CD1-CB 4.07Å; L50-I276 HydrophobicContact CD1-CG2 3.87Å; F51-I276 PolarHBondContact N-O 3.31Å; I276-L301 HydrophobicContact CG2-CD1 3.74Å; I276-I302 CarbonylContact C-O 3.57Å; I276-I302 WeakPolarHBondContact CA-O 3.3Å; I276-A303 HydrophobicContact CG1-CB 4.16Å; I276-I332 HydrophobicContact CG2-CG2 4.43Å; I276-L335 HydrophobicContact CD1-CD2 4.16Å; I276-L335 HydrophobicContact CD1-CG 4.29Å; I276-M336 HydrophobicContact CD1-CG 3.65Å; I276-L339 HydrophobicContact CD1-CD1 4.09Å |
| 277 | V | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.5 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | F51 V53 L75 I257 I302 W304 | F51-V277 HydrophobicContact CB-CB 4.47Å; F51-V277 HydrophobicContact CB-CG1 4.49Å; F51-V277 HydrophobicContact CB-CG2 3.96Å; F51-V277 HydrophobicContact CD2-CG2 3.8Å; F51-V277 HydrophobicContact CG-CG2 4.21Å; F51-V277 WeakPolarHBondContact O-CA 3.43Å; V53-V277 HydrophobicContact CG2-CG1 4.44Å; L75-V277 HydrophobicContact CD1-CG1 4.33Å; L75-V277 HydrophobicContact CD2-CB 4.33Å; L75-V277 HydrophobicContact CD2-CG1 4.28Å; L75-V277 HydrophobicContact CD2-CG2 3.84Å; I257-V277 HydrophobicContact CD1-CG1 4.28Å; I257-V277 HydrophobicContact CD1-CG2 4.14Å; I257-V277 HydrophobicContact CG2-CG2 4.47Å; V277-I302 HydrophobicContact CB-CB 4.41Å; V277-I302 PolarHBondContact N-O 3.22Å; V277-I302 PolarHBondContact O-N 2.97Å; V277-W304 HydrophobicContact CB-CZ3 4.27Å; V277-W304 HydrophobicContact CG2-CH2 3.47Å; V277-W304 VanDerWaalsContact CG2-CH2 3.47Å; V277-W304 HydrophobicContact CG2-CZ3 3.51Å |
| 278 | T | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | -174.2 | 175.8 | -165.1 | 0 | 0 | 0 | 0 | 111.3 | L50 F51 V52 V53 I102 P300 I332 | L50-T278 HydrophobicContact CD1-CG2 4.45Å; F51-T278 PolarHBondContact O-N 2.91Å; V52-T278 CarbonylContact C-O 3.55Å; V52-T278 WeakPolarHBondContact CA-O 3.4Å; V52-T278 HydrophobicContact CG2-CG2 4.1Å; V53-T278 PolarHBondContact N-O 3.23Å; I102-T278 HydrophobicContact CD1-CG2 3.87Å; I102-T278 HydrophobicContact CG1-CG2 4.39Å; I102-T278 HydrophobicContact CG2-CG2 4.36Å; T278-P300 WeakPolarHBondContact CA-O 3.41Å; T278-P300 WeakPolarHBondContact CB-O 3.19Å; T278-P300 PolarHBondContact OG1-O 2.99Å; T278-I332 HydrophobicContact CG2-CD1 4.14Å |
| 279 | A | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -129.8 | 153.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V53 L56 T299 Q329 | V53-A279 WeakPolarHBondContact O-CA 3.34Å; V53-A279 WeakPolarHBondContact O-CB 3.18Å; L56-A279 HydrophobicContact CB-CB 3.98Å; L56-A279 VanDerWaalsContact O-CB 3.27Å; L56-A279 WeakPolarHBondContact O-CB 3.37Å; A279-T299 HydrophobicContact CB-CG2 3.92Å; A279-T299 PolarHBondContact O-OG1 3.04Å; A279-Q329 PolarHBondContact O-NE2 3.35Å | ||
| 280 | D | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -72.8 | -41.9 | 171.8 | 50.6 | -1.9 | 0 | 0 | 0 | 112.1 | V52 D54 G55 T89 T95 H99 I102 Q329 | V52-D280 HydrophobicContact CG1-CB 4.19Å; D54-D280 VanDerWaalsContact CA-OD1 3.25Å; D54-D280 WeakPolarHBondContact CA-OD1 3.3Å; D54-D280 VanDerWaalsContact CG-OD2 3.27Å; D54-D280 VanDerWaalsContact OD1-OD2 3.05Å; G55-D280 PolarHBondContact N-OD1 3.3Å; G55-D280 VanDerWaalsContact N-OD1 3.12Å; T89-D280 WeakPolarHBondContact CB-O 3.21Å; T89-D280 PolarHBondContact OG1-O 3.28Å; T89-D280 VanDerWaalsContact OG1-O 3.11Å; T95-D280 VanDerWaalsContact CA-OD2 3.3Å; T95-D280 WeakPolarHBondContact CA-OD2 3.39Å; H99-D280 IonicContact CD2-OD2 3.04Å; H99-D280 IonicContact NE2-OD2 3.15Å; I102-D280 HydrophobicContact CD1-CB 4.44Å; D280-Q329 PolarHBondContact O-NE2 3.49Å |
| 281 | H | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -154.8 | 171.1 | 173.4 | 59.7 | 87.8 | 0 | 0 | 0 | 112.9 | D54 G55 L56 T89 T93 T95 D233 H289 | D54-H281 IonicContact OD1-CE1 2.75Å; D54-H281 IonicContact OD1-NE2 2.7Å; D54-H281 PolarHBondContact OD1-NE2 3.3Å; G55-H281 CarbonylContact C-O 3.57Å; G55-H281 VanDerWaalsContact C-O 3.26Å; G55-H281 VanDerWaalsContact CA-O 3.26Å; G55-H281 WeakPolarHBondContact CA-O 3.2Å; L56-H281 PolarHBondContact N-O 2.86Å; T89-H281 HydrophobicContact CG2-CB 4.39Å; T93-H281 HydrophobicContact CG2-CB 4.23Å; T95-H281 PolarHBondContact N-CD2 3.22Å; T95-H281 PolarHBondContact N-NE2 2.81Å; D233-H281 IonicContact OD1-CE1 3.2Å; H281-H289 AromaticContact CE1-CD2 3.75Å; H281-H289 AromaticContact CE1-CE1 3.45Å; H281-H289 PolarHBondContact CE1-CE1 3.05Å; H281-H289 VanDerWaalsContact CE1-CE1 3.45Å; H281-H289 AromaticContact CE1-CG 3.44Å; H281-H289 VanDerWaalsContact CE1-CG 3.44Å; H281-H289 AromaticContact CE1-ND1 3.26Å; H281-H289 PolarHBondContact CE1-ND1 3.4Å; H281-H289 VanDerWaalsContact CE1-ND1 3.26Å; H281-H289 AromaticContact CE1-NE2 3.78Å; H281-H289 AromaticContact ND1-CG 3.66Å; H281-H289 AromaticContact ND1-ND1 3.69Å; H281-H289 AromaticContact NE2-CE1 3.66Å; H281-H289 AromaticContact NE2-ND1 3.63Å | ||
| 282 | G | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -99.9 | -158.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E295 E296 | G282-E295 CarbonylContact C-O 3.6Å; G282-E295 VanDerWaalsContact CA-O 3.3Å; G282-E295 WeakPolarHBondContact CA-O 3.39Å; G282-E296 PolarHBondContact N-O 3.34Å | ||
| 283 | M | 89.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -155.7 | 138.1 | -171.4 | -174.8 | 74.8 | 68.5 | 0 | 0 | 110.6 | R57 D233 P241 S288 H289 E295 | R57-M283 WeakPolarHBondContact CD-O 3.28Å; R57-M283 PolarHBondContact NH1-O 3.41Å; D233-M283 WeakPolarHBondContact OD1-CE 3.25Å; P241-M283 HydrophobicContact CG-CB 3.87Å; P241-M283 HydrophobicContact CG-CG 3.6Å; M283-S288 VanDerWaalsContact SD-CA 3.55Å; M283-S288 PolarHBondContact SD-N 3.1Å; M283-H289 HydrophobicContact CE-CB 4.47Å; M283-H289 WeakPolarHBondContact CE-CD2 3.47Å; M283-H289 HydrophobicContact SD-CB 4.02Å; M283-E295 PolarHBondContact N-O 3.46Å | ||
| 284 | T | 87.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | trans | -68.9 | 163 | 174.9 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | P241 W286 G287 S288 E296 | P241-T284 WeakPolarHBondContact CD-O 3.41Å; P241-T284 WeakPolarHBondContact CG-O 3.13Å; T284-W286 HydrophobicContact CG2-CH2 3.67Å; T284-W286 HydrophobicContact CG2-CZ2 3.64Å; T284-W286 HydrophobicContact CG2-CZ3 4.17Å; T284-W286 PolarHBondContact O-N 3.02Å; T284-W286 PolarHBondContact OG1-NE1 3.11Å; T284-G287 PolarHBondContact O-N 3.44Å; T284-S288 WeakPolarHBondContact CB-O 3.42Å; T284-S288 WeakPolarHBondContact CG2-O 3.42Å; T284-S288 PolarHBondContact N-O 2.65Å; T284-S288 PolarHBondContact OG1-N 3.36Å; T284-S288 VanDerWaalsContact OG1-N 3.11Å; T284-S288 PolarHBondContact OG1-O 2.92Å; T284-E296 HydrophobicContact CG2-CG 3.62Å | ||
| 285 | D | 85.4 | Confident | 88.9 | Confident | 80 Ų | 80 | 26.6 Ų | 26.6 | 43% | 0.428 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.8 | -179.9 | -76.3 | -27.9 | 0 | 0 | 0 | 114.1 | R57 H242 G287 | R57-D285 IonicContact CZ-OD1 3.76Å; R57-D285 IonicContact NH1-OD1 3.72Å; R57-D285 PolarHBondContact NH1-OD1 2.83Å; R57-D285 IonicContact NH2-OD1 2.91Å; R57-D285 PolarHBondContact NH2-OD1 2.83Å; R57-D285 VanDerWaalsContact NH2-OD1 3.08Å; H242-D285 PolarHBondContact ND1-O 3.49Å; D285-G287 VanDerWaalsContact C-N 3.28Å |
| 286 | W | 79 | Confident | 88.6 | Confident | 154 Ų | 154 | 26.8 Ų | 26.8 | 58% | 0.583 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 9.2 | 173.2 | 66.4 | 87.9 | 0 | 0 | 0 | 113.1 | K240 T284 | K240-W286 WeakPolarHBondContact CD-O 3.47Å; K240-W286 WeakPolarHBondContact CE-O 3.5Å; K240-W286 PolarHBondContact NZ-O 2.72Å; T284-W286 HydrophobicContact CG2-CH2 3.67Å; T284-W286 HydrophobicContact CG2-CZ2 3.64Å; T284-W286 HydrophobicContact CG2-CZ3 4.17Å; T284-W286 PolarHBondContact O-N 3.02Å; T284-W286 PolarHBondContact OG1-NE1 3.11Å |
| 287 | G | 82.4 | Confident | 88.3 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 70.1 | 45.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G236 H237 T284 D285 | G236-G287 WeakPolarHBondContact O-CA 3.41Å; H237-G287 PolarHBondContact ND1-O 3.13Å; T284-G287 PolarHBondContact O-N 3.44Å; D285-G287 VanDerWaalsContact C-N 3.28Å |
| 288 | S | 82.2 | Confident | 88.1 | Confident | 39 Ų | 39 | 30.4 Ų | 30.4 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | trans | -125.5 | 154.1 | 169 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | M283 T284 | M283-S288 VanDerWaalsContact SD-CA 3.55Å; M283-S288 PolarHBondContact SD-N 3.1Å; T284-S288 WeakPolarHBondContact CB-O 3.42Å; T284-S288 WeakPolarHBondContact CG2-O 3.42Å; T284-S288 PolarHBondContact N-O 2.65Å; T284-S288 PolarHBondContact OG1-N 3.36Å; T284-S288 VanDerWaalsContact OG1-N 3.11Å; T284-S288 PolarHBondContact OG1-O 2.92Å | ||
| 289 | H | 85.6 | Confident | 88 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | trans | -138.4 | -176.4 | 169.4 | 61.8 | 94.1 | 0 | 0 | 0 | 109.6 | T93 E94 D233 H237 H281 M283 E296 | T93-H289 PolarHBondContact O-ND1 2.8Å; E94-H289 IonicContact OE2-CE1 2.67Å; E94-H289 PolarHBondContact OE2-CE1 3.23Å; E94-H289 IonicContact OE2-ND1 3.46Å; D233-H289 IonicContact OD1-CD2 3.13Å; D233-H289 IonicContact OD1-NE2 3.64Å; D233-H289 PolarHBondContact OD1-NE2 2.93Å; H237-H289 AromaticContact CE1-CD2 3.3Å; H237-H289 PolarHBondContact CE1-CD2 3.42Å; H237-H289 AromaticContact CE1-NE2 3.25Å; H237-H289 PolarHBondContact CE1-NE2 3.1Å; H237-H289 VanDerWaalsContact CE1-NE2 3.25Å; H237-H289 AromaticContact NE2-CD2 3.23Å; H237-H289 PolarHBondContact NE2-CD2 3.18Å; H237-H289 AromaticContact NE2-NE2 2.86Å; H237-H289 PolarHBondContact NE2-NE2 3.45Å; H281-H289 AromaticContact CE1-CD2 3.75Å; H281-H289 AromaticContact CE1-CE1 3.45Å; H281-H289 PolarHBondContact CE1-CE1 3.05Å; H281-H289 VanDerWaalsContact CE1-CE1 3.45Å; H281-H289 AromaticContact CE1-CG 3.44Å; H281-H289 VanDerWaalsContact CE1-CG 3.44Å; H281-H289 AromaticContact CE1-ND1 3.26Å; H281-H289 PolarHBondContact CE1-ND1 3.4Å; H281-H289 VanDerWaalsContact CE1-ND1 3.26Å; H281-H289 AromaticContact CE1-NE2 3.78Å; H281-H289 AromaticContact ND1-CG 3.66Å; H281-H289 AromaticContact ND1-ND1 3.69Å; H281-H289 AromaticContact NE2-CE1 3.66Å; H281-H289 AromaticContact NE2-ND1 3.63Å; M283-H289 HydrophobicContact CE-CB 4.47Å; M283-H289 WeakPolarHBondContact CE-CD2 3.47Å; M283-H289 HydrophobicContact SD-CB 4.02Å; H289-E296 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 290 | G | 78.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 110.3 | -15.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T93 E296 | T93-G290 PolarHBondContact O-N 3.26Å; T93-G290 WeakPolarHBondContact OG1-CA 3.44Å; T93-G290 PolarHBondContact OG1-N 2.79Å; G290-E296 PolarHBondContact N-OE1 3.22Å; G290-E296 VanDerWaalsContact N-OE1 3.1Å |
| 291 | A | 76.7 | Confident | 88 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -106.2 | -175.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V91 T93 E296 L878 | V91-A291 WeakPolarHBondContact CG1-O 3.43Å; T93-A291 WeakPolarHBondContact CG2-O 3.5Å; T93-A291 PolarHBondContact OG1-N 3.4Å; T93-A291 VanDerWaalsContact OG1-N 3.16Å; T93-A291 PolarHBondContact OG1-O 2.94Å; A291-E296 VanDerWaalsContact C-CD 3.48Å; A291-E296 WeakPolarHBondContact CA-OE1 3.24Å; A291-E296 WeakPolarHBondContact CA-OE2 3.47Å; A291-E296 VanDerWaalsContact CB-OE2 3.32Å; A291-E296 WeakPolarHBondContact CB-OE2 3.2Å; A291-E296 PolarHBondContact N-OE1 3.32Å; A291-L878 HydrophobicContact CB-CD2 3.87Å |
| 292 | G | 81.1 | Confident | 88 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 45% | 0.454 | 18% | 0.175 | S | C | . | . | trans | -102 | 20.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E296 | G292-E296 PolarHBondContact N-OE2 3.39Š| ||
| 293 | T | 84.5 | Confident | 88.2 | Confident | 42 Ų | 42 | 30.4 Ų | 30.4 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | trans | -68 | 155.4 | 178.7 | 82.1 | 0 | 0 | 0 | 0 | 110.7 | E295 E296 T297 | T293-E295 WeakPolarHBondContact CB-OE2 3.3Å; T293-E295 PolarHBondContact O-N 3.12Å; T293-E295 PolarHBondContact OG1-OE2 3.21Å; T293-E296 WeakPolarHBondContact CB-OE2 3.49Å; T293-E296 VanDerWaalsContact CG2-OE2 3.32Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.26Å; T293-E296 PolarHBondContact N-OE2 3.25Å; T293-E296 PolarHBondContact O-N 2.91Å; T293-E296 VanDerWaalsContact O-N 3.08Å; T293-E296 WeakPolarHBondContact OG1-CG 3.19Å; T293-E296 PolarHBondContact OG1-OE2 2.9Å; T293-E296 VanDerWaalsContact OG1-OE2 3.12Å; T293-T297 PolarHBondContact O-N 3.04Å; T293-T297 PolarHBondContact O-OG1 2.71Å | ||
| 294 | P | 89.4 | Confident | 88.6 | Confident | 77 Ų | 77 | 30.6 Ų | 30.6 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.9 | -34.4 | 175.4 | -26.2 | 36.4 | 0 | 0 | 0 | 113 | E296 T297 L298 | P294-E296 PolarHBondContact O-N 3.23Å; P294-T297 PolarHBondContact O-N 3.38Å; P294-L298 HydrophobicContact CB-CD1 3.95Å; P294-L298 HydrophobicContact CB-CG 4.34Å; P294-L298 VanDerWaalsContact O-CB 3.27Å; P294-L298 WeakPolarHBondContact O-CB 3.12Å; P294-L298 WeakPolarHBondContact O-CG 2.96Å; P294-L298 PolarHBondContact O-N 3.32Å |
| 295 | E | 90.1 | Very high | 89 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.8 | -27.6 | 177.9 | -55.7 | 76.9 | -164 | 0 | 0 | 112.3 | R57 G282 M283 T293 | R57-E295 VanDerWaalsContact CB-O 3.3Å; R57-E295 WeakPolarHBondContact CB-O 3.28Å; G282-E295 CarbonylContact C-O 3.6Å; G282-E295 VanDerWaalsContact CA-O 3.3Å; G282-E295 WeakPolarHBondContact CA-O 3.39Å; M283-E295 PolarHBondContact N-O 3.46Å; T293-E295 WeakPolarHBondContact CB-OE2 3.3Å; T293-E295 PolarHBondContact O-N 3.12Å; T293-E295 PolarHBondContact OG1-OE2 3.21Å |
| 296 | E | 91.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -90.6 | -36.8 | 177.6 | -59.3 | 170.1 | 100 | 0 | 0 | 112.5 | T93 G282 T284 H289 G290 A291 G292 T293 P294 | T93-E296 HydrophobicContact CG2-CB 3.73Å; T93-E296 VanDerWaalsContact CG2-O 3.28Å; T93-E296 WeakPolarHBondContact CG2-O 3.37Å; T93-E296 PolarHBondContact OG1-OE1 3.37Å; G282-E296 PolarHBondContact N-O 3.34Å; T284-E296 HydrophobicContact CG2-CG 3.62Å; H289-E296 WeakPolarHBondContact CA-OE1 3.48Å; G290-E296 PolarHBondContact N-OE1 3.22Å; G290-E296 VanDerWaalsContact N-OE1 3.1Å; A291-E296 VanDerWaalsContact C-CD 3.48Å; A291-E296 WeakPolarHBondContact CA-OE1 3.24Å; A291-E296 WeakPolarHBondContact CA-OE2 3.47Å; A291-E296 VanDerWaalsContact CB-OE2 3.32Å; A291-E296 WeakPolarHBondContact CB-OE2 3.2Å; A291-E296 PolarHBondContact N-OE1 3.32Å; G292-E296 PolarHBondContact N-OE2 3.39Å; T293-E296 WeakPolarHBondContact CB-OE2 3.49Å; T293-E296 VanDerWaalsContact CG2-OE2 3.32Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.26Å; T293-E296 PolarHBondContact N-OE2 3.25Å; T293-E296 PolarHBondContact O-N 2.91Å; T293-E296 VanDerWaalsContact O-N 3.08Å; T293-E296 WeakPolarHBondContact OG1-CG 3.19Å; T293-E296 PolarHBondContact OG1-OE2 2.9Å; T293-E296 VanDerWaalsContact OG1-OE2 3.12Å; P294-E296 PolarHBondContact O-N 3.23Å |
| 297 | T | 92.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 23 Ų | 23 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -92.4 | -19.5 | -169.8 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | T89 V91 T93 T293 P294 | T89-T297 WeakPolarHBondContact CG2-O 3.43Å; T89-T297 PolarHBondContact N-O 3.41Å; V91-T297 HydrophobicContact CG1-CG2 4.08Å; T93-T297 HydrophobicContact CG2-CG2 3.77Å; T293-T297 PolarHBondContact O-N 3.04Å; T293-T297 PolarHBondContact O-OG1 2.71Å; P294-T297 PolarHBondContact O-N 3.38Å |
| 298 | L | 94.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 23.2 Ų | 23.2 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.7 | 179.9 | -54.2 | -179.3 | 0 | 0 | 0 | 109.9 | A58 I86 K88 P294 | A58-L298 HydrophobicContact CB-CB 4.23Å; A58-L298 WeakPolarHBondContact CB-O 3.42Å; A58-L298 PolarHBondContact N-O 3.29Å; I86-L298 HydrophobicContact CG2-CB 3.82Å; I86-L298 HydrophobicContact CG2-CD2 3.83Å; I86-L298 HydrophobicContact CG2-CG 4.34Å; K88-L298 HydrophobicContact CG-CD2 4.01Å; P294-L298 HydrophobicContact CB-CD1 3.95Å; P294-L298 HydrophobicContact CB-CG 4.34Å; P294-L298 VanDerWaalsContact O-CB 3.27Å; P294-L298 WeakPolarHBondContact O-CB 3.12Å; P294-L298 WeakPolarHBondContact O-CG 2.96Å; P294-L298 PolarHBondContact O-N 3.32Å |
| 299 | T | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.7 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | I86 S87 T89 A279 | I86-T299 CarbonylContact C-O 3.55Å; I86-T299 WeakPolarHBondContact CA-O 3.31Å; S87-T299 WeakPolarHBondContact CB-OG1 2.99Å; S87-T299 PolarHBondContact N-O 2.98Å; S87-T299 PolarHBondContact O-N 3.31Å; S87-T299 PolarHBondContact O-OG1 2.87Å; S87-T299 PolarHBondContact OG-OG1 3.04Å; S87-T299 VanDerWaalsContact OG-OG1 3.1Å; T89-T299 HydrophobicContact CG2-CG2 4.1Å; A279-T299 HydrophobicContact CB-CG2 3.92Å; A279-T299 PolarHBondContact O-OG1 3.04Å |
| 300 | P | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 148.8 | 175.8 | 30.2 | -33.2 | 0 | 0 | 0 | 110.5 | L56 L61 F62 T278 | L56-P300 HydrophobicContact CD2-CG 3.93Å; L56-P300 HydrophobicContact CG-CG 4.16Å; L56-P300 WeakPolarHBondContact O-CD 3.41Å; L61-P300 HydrophobicContact CD2-CB 3.39Å; L61-P300 HydrophobicContact CD2-CG 3.72Å; F62-P300 HydrophobicContact CE1-CB 4.07Å; F62-P300 HydrophobicContact CZ-CB 3.82Å; T278-P300 WeakPolarHBondContact CA-O 3.41Å; T278-P300 WeakPolarHBondContact CB-O 3.19Å; T278-P300 PolarHBondContact OG1-O 2.99Å |
| 301 | L | 97 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124 | 165.7 | 176.7 | 62 | 0 | 0 | 0 | 109 | W84 G85 I276 V327 I332 Y356 | W84-L301 CarbonylContact C-O 3.55Å; W84-L301 WeakPolarHBondContact CA-O 3.3Å; W84-L301 WeakPolarHBondContact CB-O 3.28Å; G85-L301 PolarHBondContact N-O 3.2Å; G85-L301 PolarHBondContact O-N 3.43Å; I276-L301 HydrophobicContact CG2-CD1 3.74Å; L301-V327 HydrophobicContact CD2-CG1 4.48Å; L301-V327 HydrophobicContact CD2-CG2 3.39Å; L301-I332 HydrophobicContact CD1-CD1 4.09Å; L301-I332 HydrophobicContact CD1-CG1 4.33Å; L301-I332 HydrophobicContact CD2-CG1 4.35Å; L301-Y356 HydrophobicContact CD2-CE1 4.07Å; L301-Y356 HydrophobicContact CG-CE1 4.33Å |
| 302 | I | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.7 | 177.3 | -52.3 | 157.1 | 0 | 0 | 0 | 107.5 | L61 L75 W84 I276 V277 W304 W320 | L61-I302 HydrophobicContact CD2-CD1 3.86Å; L75-I302 HydrophobicContact CB-CD1 4.01Å; L75-I302 HydrophobicContact CD1-CD1 4.28Å; L75-I302 HydrophobicContact CD2-CD1 4.28Å; L75-I302 HydrophobicContact CG-CD1 4.42Å; W84-I302 HydrophobicContact CB-CG1 4.23Å; I276-I302 CarbonylContact C-O 3.57Å; I276-I302 WeakPolarHBondContact CA-O 3.3Å; V277-I302 HydrophobicContact CB-CB 4.41Å; V277-I302 PolarHBondContact N-O 3.22Å; V277-I302 PolarHBondContact O-N 2.97Å; I302-W304 HydrophobicContact CG2-CE3 3.95Å; I302-W304 HydrophobicContact CG2-CZ3 4.09Å; I302-W320 HydrophobicContact CD1-CH2 3.37Å; I302-W320 HydrophobicContact CD1-CZ2 4.3Å; I302-W320 HydrophobicContact CD1-CZ3 3.91Å; I302-W320 HydrophobicContact CG1-CH2 3.84Å; I302-W320 HydrophobicContact CG1-CZ3 3.87Å |
| 303 | A | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G82 S83 Y275 I276 I308 Y356 | G82-A303 WeakPolarHBondContact CA-O 3.27Å; S83-A303 PolarHBondContact N-O 2.84Å; S83-A303 PolarHBondContact O-N 3.41Å; S83-A303 VanDerWaalsContact O-O 3.11Å; Y275-A303 VanDerWaalsContact O-CA 3.25Å; Y275-A303 WeakPolarHBondContact O-CA 3.46Å; I276-A303 HydrophobicContact CG1-CB 4.16Å; A303-I308 HydrophobicContact CB-CD1 3.72Å; A303-I308 HydrophobicContact CB-CG1 4.16Å; A303-I308 HydrophobicContact CB-CG2 4.21Å; A303-I308 WeakPolarHBondContact O-CG2 3.31Å; A303-Y356 HydrophobicContact CB-CD1 4.04Å; A303-Y356 HydrophobicContact CB-CE1 4.31Å |
| 304 | W | 97.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 176.1 | 174.9 | 72.5 | 97.7 | 0 | 0 | 0 | 111.6 | F74 L75 M78 I257 Y261 Y275 V277 I302 | F74-W304 HydrophobicContact CE1-CZ2 4.34Å; L75-W304 HydrophobicContact CD2-CH2 4.22Å; L75-W304 HydrophobicContact CD2-CZ3 4.38Å; M78-W304 HydrophobicContact CB-CD2 3.72Å; M78-W304 HydrophobicContact CB-CE3 3.98Å; M78-W304 HydrophobicContact CB-CG 4Å; M78-W304 HydrophobicContact CB-CZ2 4.44Å; M78-W304 HydrophobicContact CB-CZ3 4.44Å; M78-W304 HydrophobicContact CG-CD2 4.09Å; M78-W304 HydrophobicContact CG-CG 4.41Å; M78-W304 HydrophobicContact CG-CZ2 4.1Å; M78-W304 HydrophobicContact SD-CG 4.45Å; I257-W304 HydrophobicContact CG2-CH2 4.27Å; Y261-W304 HydrophobicContact CD2-CZ2 4.48Å; Y261-W304 AromaticContact CD2-NE1 3.57Å; Y261-W304 AromaticContact CE2-NE1 3.48Å; Y275-W304 VanDerWaalsContact CB-CZ2 3.47Å; Y275-W304 HydrophobicContact CD1-CZ2 4.1Å; Y275-W304 AromaticContact CD2-CD1 3.86Å; Y275-W304 AromaticContact CD2-CE2 3.96Å; Y275-W304 HydrophobicContact CD2-CZ2 4.48Å; Y275-W304 AromaticContact CD2-NE1 3.46Å; Y275-W304 HydrophobicContact CG-CD2 4.34Å; Y275-W304 AromaticContact CG-CE2 3.66Å; Y275-W304 AromaticContact CG-CZ2 3.79Å; Y275-W304 HydrophobicContact CG-CZ2 3.79Å; Y275-W304 AromaticContact CG-NE1 3.66Å; Y275-W304 PolarHBondContact N-O 2.99Å; Y275-W304 PolarHBondContact O-N 3.33Å; V277-W304 HydrophobicContact CB-CZ3 4.27Å; V277-W304 HydrophobicContact CG2-CH2 3.47Å; V277-W304 VanDerWaalsContact CG2-CH2 3.47Å; V277-W304 HydrophobicContact CG2-CZ3 3.51Å; I302-W304 HydrophobicContact CG2-CE3 3.95Å; I302-W304 HydrophobicContact CG2-CZ3 4.09Å |
| 305 | G | 97.2 | Very high | 88.7 | Confident | 38 Ų | 38 | 43 Ų | 43 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.6 | -155.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G307 I308 | G305-G307 PolarHBondContact O-N 3.3Å; G305-I308 PolarHBondContact O-N 2.83Å |
| 306 | S | 97.1 | Very high | 86.8 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 125.3 | -169.9 | -137.5 | 0 | 0 | 0 | 0 | 112.1 | P44 E271 T273 I308 | P44-S306 WeakPolarHBondContact O-CB 3.38Å; P44-S306 PolarHBondContact O-OG 3.48Å; E271-S306 VanDerWaalsContact O-CB 3.25Å; E271-S306 WeakPolarHBondContact O-CB 3.19Å; E271-S306 PolarHBondContact O-OG 3.04Å; T273-S306 PolarHBondContact O-N 3.47Å; S306-I308 VanDerWaalsContact C-N 3.3Å; S306-I308 PolarHBondContact O-N 3.28Å |
| 307 | G | 96.2 | Very high | 85.6 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | P44 G305 L357 N358 | P44-G307 VanDerWaalsContact CB-CA 3.44Å; G305-G307 PolarHBondContact O-N 3.3Å; G307-L357 WeakPolarHBondContact O-CA 3.27Å; G307-N358 PolarHBondContact O-N 3.13Å |
| 308 | I | 97.2 | Very high | 84.2 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 136.2 | 177.4 | -63 | -66.3 | 0 | 0 | 0 | 110.6 | A303 G305 S306 L339 Y356 | A303-I308 HydrophobicContact CB-CD1 3.72Å; A303-I308 HydrophobicContact CB-CG1 4.16Å; A303-I308 HydrophobicContact CB-CG2 4.21Å; A303-I308 WeakPolarHBondContact O-CG2 3.31Å; G305-I308 PolarHBondContact O-N 2.83Å; S306-I308 VanDerWaalsContact C-N 3.3Å; S306-I308 PolarHBondContact O-N 3.28Å; I308-L339 HydrophobicContact CD1-CD1 3.92Å; I308-L339 HydrophobicContact CD1-CD2 3.66Å; I308-L339 HydrophobicContact CD1-CG 4.38Å; I308-L339 HydrophobicContact CG1-CD2 4.17Å; I308-Y356 CarbonylContact C-O 3.53Å; I308-Y356 WeakPolarHBondContact CA-O 3.32Å |
| 309 | N | 95 | Very high | 83.4 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 142.7 | 175.1 | -167.3 | 26.8 | 0 | 0 | 0 | 111.3 | G82 S83 Q355 Y356 N358 | G82-N309 CarbonylContact C-O 3.56Å; G82-N309 WeakPolarHBondContact CA-O 3.02Å; G82-N309 VanDerWaalsContact O-O 3.09Å; S83-N309 PolarHBondContact N-O 2.93Å; S83-N309 PolarHBondContact OG-O 2.76Å; N309-Q355 WeakPolarHBondContact CB-O 3.32Å; N309-Q355 PolarHBondContact ND2-O 3.14Å; N309-Y356 PolarHBondContact N-O 3.32Å; N309-N358 HydrophobicContact CB-CB 4.26Å |
| 310 | R | 91 | Very high | 82.6 | Confident | 179 Ų | 179 | 50.8 Ų | 50.8 | 68% | 0.675 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 120.6 | 175.7 | -176.1 | 178.1 | 177.6 | -164.6 | -5.6 | 109.3 | R80 G82 | R80-R310 PolarHBondContact O-NE 2.83Å; G82-R310 CarbonylContact O-C 3.57Å; G82-R310 WeakPolarHBondContact O-CA 3.37Å |
| 311 | M | 79.6 | Confident | 81.3 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 140 | 175.4 | -165.5 | 171.2 | -176.1 | 0 | 0 | 110.9 | G82 W84 D313 S324 L325 | G82-M311 PolarHBondContact O-N 3.16Å; W84-M311 HydrophobicContact CE3-CB 4.37Å; W84-M311 HydrophobicContact CE3-SD 4.25Å; W84-M311 HydrophobicContact CH2-CB 4.35Å; W84-M311 HydrophobicContact CH2-CG 4.31Å; W84-M311 HydrophobicContact CH2-SD 4Å; W84-M311 HydrophobicContact CZ2-SD 4.26Å; W84-M311 HydrophobicContact CZ3-CB 3.78Å; W84-M311 HydrophobicContact CZ3-CG 4.2Å; W84-M311 HydrophobicContact CZ3-SD 4.01Å; M311-D313 PolarHBondContact O-N 2.64Å; M311-S324 WeakPolarHBondContact CE-OG 3.26Å; M311-L325 HydrophobicContact SD-CD1 4.14Å; M311-L325 HydrophobicContact SD-CG 4.46Å |
| 312 | L | 72.5 | Confident | 80 | Confident | 154 Ų | 154 | 58.7 Ų | 58.7 | 81% | 0.806 | 35% | 0.35 | S | S | * | . | trans | -76.4 | 107.2 | 170.6 | -70.8 | 168 | 0 | 0 | 0 | 108.3 | T314 | L312-T314 PolarHBondContact O-N 3.17Å; L312-T314 VanDerWaalsContact O-N 3.09Å | ||
| 313 | D | 68 | Low | 78.8 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | trans | -72.8 | 96.1 | 171.9 | -163.7 | 5.5 | 0 | 0 | 0 | 108.3 | R76 R80 W84 M311 T315 | R76-D313 IonicContact CZ-OD2 3.46Å; R76-D313 IonicContact NH1-OD2 2.71Å; R76-D313 IonicContact NH2-OD1 3.84Å; R76-D313 IonicContact NH2-OD2 3.35Å; R76-D313 PolarHBondContact NH2-OD2 2.84Å; R76-D313 VanDerWaalsContact NH2-OD2 3.1Å; R80-D313 IonicContact CZ-OD2 3.08Å; R80-D313 IonicContact NE-OD2 3.76Å; R80-D313 PolarHBondContact NE-OD2 2.69Å; R80-D313 IonicContact NH2-OD2 3.85Å; W84-D313 HydrophobicContact CH2-CB 4.28Å; M311-D313 PolarHBondContact O-N 2.64Å; D313-T315 VanDerWaalsContact C-N 3.29Å; D313-T315 VanDerWaalsContact OD1-O 3.08Å | ||
| 314 | T | 61.7 | Low | 77.5 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | trans | -81.7 | -8 | -179.5 | 52.1 | 0 | 0 | 0 | 0 | 113 | L312 | L312-T314 PolarHBondContact O-N 3.17Å; L312-T314 VanDerWaalsContact O-N 3.09Å | ||
| 315 | T | 58.8 | Low | 77 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | trans | -124.8 | 121.4 | -174.2 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | D313 S317 P321 | D313-T315 VanDerWaalsContact C-N 3.29Å; D313-T315 VanDerWaalsContact OD1-O 3.08Å; T315-S317 PolarHBondContact O-N 2.9Å; T315-P321 WeakPolarHBondContact OG1-CB 3.42Å; T315-P321 VanDerWaalsContact OG1-CG 3.32Å; T315-P321 WeakPolarHBondContact OG1-CG 3.34Å | ||
| 316 | S | 51.6 | Low | 76.9 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 89% | 0.888 | 39% | 0.394 | S | S | * | . | trans | -83.3 | 24.6 | -175.1 | 45 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 317 | S | 64.1 | Low | 76.8 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | trans | -68.8 | 139 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | R76 T315 C319 | R76-S317 PolarHBondContact NH2-O 3.23Å; T315-S317 PolarHBondContact O-N 2.9Å; S317-C319 VanDerWaalsContact C-N 3.32Å; S317-C319 CarbonylContact C-O 3.57Å; S317-C319 PolarHBondContact OG-O 3.4Å | ||
| 318 | A | 64.5 | Low | 76.8 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -61.1 | -45.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V70 | V70-A318 HydrophobicContact CG2-CB 4.33Å; V70-A318 WeakPolarHBondContact CG2-O 3.41Å |
| 319 | C | 76.2 | Confident | 76.7 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -68.2 | 155.8 | 171.4 | -37.4 | 0 | 0 | 0 | 0 | 111.2 | C64 S317 P321 | C64-C319 HydrophobicContact CB-CB 4.32Å; C64-C319 WeakPolarHBondContact CB-SG 3.33Å; C64-C319 WeakPolarHBondContact SG-CA 3.15Å; C64-C319 WeakPolarHBondContact SG-CB 3.45Å; C64-C319 PolarHBondContact SG-N 3.11Å; C64-C319 VanDerWaalsContact SG-N 3.42Å; C64-C319 CovalentContact SG-SG 2.04Å; C64-C319 PolarHBondContact SG-SG 2.84Å; S317-C319 VanDerWaalsContact C-N 3.32Å; S317-C319 CarbonylContact C-O 3.57Å; S317-C319 PolarHBondContact OG-O 3.4Å; C319-P321 WeakPolarHBondContact O-CD 3.25Å |
| 320 | W | 79.4 | Confident | 76.8 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.6 | -173.9 | -65.1 | 60.3 | 0 | 0 | 0 | 110.1 | L61 F62 L75 R76 S79 W84 I302 | L61-W320 PolarHBondContact O-NE1 3.37Å; F62-W320 HydrophobicContact CB-CB 3.76Å; F62-W320 HydrophobicContact CB-CG 4.1Å; F62-W320 HydrophobicContact CD1-CB 3.78Å; F62-W320 AromaticContact CD1-CD2 3.34Å; F62-W320 HydrophobicContact CD1-CD2 3.34Å; F62-W320 AromaticContact CD1-CE2 3.96Å; F62-W320 AromaticContact CD1-CE3 3.41Å; F62-W320 HydrophobicContact CD1-CE3 3.41Å; F62-W320 VanDerWaalsContact CD1-CE3 3.41Å; F62-W320 AromaticContact CD1-CG 3.54Å; F62-W320 HydrophobicContact CD1-CG 3.54Å; F62-W320 HydrophobicContact CD1-CZ3 4.11Å; F62-W320 AromaticContact CE1-CD2 3.75Å; F62-W320 HydrophobicContact CE1-CD2 3.75Å; F62-W320 AromaticContact CE1-CE3 3.28Å; F62-W320 HydrophobicContact CE1-CE3 3.28Å; F62-W320 HydrophobicContact CE1-CG 4.37Å; F62-W320 HydrophobicContact CE1-CH2 4.32Å; F62-W320 AromaticContact CE1-CZ3 3.61Å; F62-W320 HydrophobicContact CE1-CZ3 3.61Å; F62-W320 HydrophobicContact CG-CB 3.91Å; F62-W320 HydrophobicContact CG-CD2 4.34Å; F62-W320 HydrophobicContact CG-CG 4.12Å; F62-W320 HydrophobicContact CZ-CE3 4.32Å; F62-W320 PolarHBondContact O-N 3.12Å; F62-W320 VanDerWaalsContact O-N 3.13Å; L75-W320 HydrophobicContact CB-CH2 4.29Å; L75-W320 HydrophobicContact CB-CZ2 4.2Å; R76-W320 HydrophobicContact CB-CZ2 3.84Å; S79-W320 WeakPolarHBondContact OG-CZ3 3.26Å; W84-W320 HydrophobicContact CB-CZ3 4.1Å; W84-W320 AromaticContact CD1-CE3 3.72Å; W84-W320 AromaticContact CD1-CZ3 3.99Å; W84-W320 HydrophobicContact CG-CE3 4.16Å; W84-W320 HydrophobicContact CG-CZ3 4.01Å; I302-W320 HydrophobicContact CD1-CH2 3.37Å; I302-W320 HydrophobicContact CD1-CZ2 4.3Å; I302-W320 HydrophobicContact CD1-CZ3 3.91Å; I302-W320 HydrophobicContact CG1-CH2 3.84Å; I302-W320 HydrophobicContact CG1-CZ3 3.87Å |
| 321 | P | 70 | Confident | 77.2 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 160.4 | 178.5 | 31.2 | -34.9 | 0 | 0 | 0 | 111.6 | W84 T315 C319 S323 | W84-P321 HydrophobicContact CZ2-CG 4.07Å; T315-P321 WeakPolarHBondContact OG1-CB 3.42Å; T315-P321 VanDerWaalsContact OG1-CG 3.32Å; T315-P321 WeakPolarHBondContact OG1-CG 3.34Å; C319-P321 WeakPolarHBondContact O-CD 3.25Å; P321-S323 PolarHBondContact O-N 3.36Å |
| 322 | T | 67.9 | Low | 78.1 | Confident | 146 Ų | 146 | 56.7 Ų | 56.7 | 90% | 0.896 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 120.3 | 173.7 | 33.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 323 | S | 71.2 | Confident | 79.3 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 153.9 | 175 | -179 | 0 | 0 | 0 | 0 | 111.1 | W84 P321 L325 | W84-S323 WeakPolarHBondContact O-CB 3.46Å; W84-S323 PolarHBondContact O-OG 3.38Å; P321-S323 PolarHBondContact O-N 3.36Å; S323-L325 PolarHBondContact OG-N 3.41Å; S323-L325 VanDerWaalsContact OG-N 3.1Å |
| 324 | S | 70.8 | Confident | 80.7 | Confident | 99 Ų | 99 | 47 Ų | 47 | 69% | 0.692 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -100.6 | 3.6 | 171.6 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | M311 | M311-S324 WeakPolarHBondContact CE-OG 3.26Š|
| 325 | L | 87.5 | Confident | 82.4 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | trans | -111.1 | 41.2 | -173.5 | -61.2 | -175.8 | 0 | 0 | 0 | 113.1 | M311 S323 Q355 Y356 | M311-L325 HydrophobicContact SD-CD1 4.14Å; M311-L325 HydrophobicContact SD-CG 4.46Å; S323-L325 PolarHBondContact OG-N 3.41Å; S323-L325 VanDerWaalsContact OG-N 3.1Å; L325-Q355 HydrophobicContact CD2-CB 3.53Å; L325-Q355 HydrophobicContact CD2-CG 3.95Å; L325-Y356 HydrophobicContact CB-CE2 3.77Å; L325-Y356 HydrophobicContact CD1-CE2 4.42Å; L325-Y356 WeakPolarHBondContact O-CE2 3.21Å; L325-Y356 PolarHBondContact O-OH 3.47Å | ||
| 326 | D | 93.8 | Very high | 84.3 | Confident | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | trans | -65.4 | 143.6 | 172.6 | -66.5 | -8.1 | 0 | 0 | 0 | 110.9 | I86 K88 | I86-D326 HydrophobicContact CB-CB 4.49Å; I86-D326 WeakPolarHBondContact CB-OD1 3.42Å; I86-D326 PolarHBondContact N-OD1 3.07Å; I86-D326 CarbonylContact O-C 3.57Å; I86-D326 VanDerWaalsContact O-CA 3.24Å; I86-D326 WeakPolarHBondContact O-CA 3.45Å; K88-D326 IonicContact NZ-OD2 3.55Å | ||
| 327 | V | 95.8 | Very high | 86.5 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.5 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | I86 S87 K88 L301 D331 I332 P353 Y356 | I86-V327 PolarHBondContact O-N 3.39Å; S87-V327 WeakPolarHBondContact CA-O 3.38Å; K88-V327 PolarHBondContact N-O 3.2Å; L301-V327 HydrophobicContact CD2-CG1 4.48Å; L301-V327 HydrophobicContact CD2-CG2 3.39Å; V327-D331 HydrophobicContact CB-CB 4.16Å; V327-I332 HydrophobicContact CG2-CG1 4.47Å; V327-P353 HydrophobicContact CG1-CB 3.86Å; V327-P353 HydrophobicContact CG1-CG 4.23Å; V327-Y356 HydrophobicContact CG1-CD2 4.48Å; V327-Y356 HydrophobicContact CG1-CE2 3.79Å |
| 328 | D | 95.9 | Very high | 88.1 | Confident | 70 Ų | 70 | 29.4 Ų | 29.4 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 143.6 | 163.8 | -70.5 | -24.1 | 0 | 0 | 0 | 108.3 | V330 D331 | D328-V330 HydrophobicContact CB-CG2 3.96Å; D328-V330 PolarHBondContact O-N 3.48Å; D328-D331 PolarHBondContact N-OD2 2.95Å; D328-D331 VanDerWaalsContact N-OD2 3.14Å; D328-D331 WeakPolarHBondContact O-CB 3.28Å; D328-D331 PolarHBondContact O-N 3.47Å |
| 329 | Q | 96.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57.8 | -29 | -175.1 | -172 | -179.6 | 59.6 | 0 | 0 | 113.1 | S87 K88 T89 A101 I102 A279 D280 D331 I332 | S87-Q329 WeakPolarHBondContact OG-CA 3.1Å; S87-Q329 WeakPolarHBondContact OG-CB 2.83Å; K88-Q329 WeakPolarHBondContact O-CB 3.4Å; K88-Q329 PolarHBondContact O-N 2.82Å; T89-Q329 PolarHBondContact OG1-OE1 2.81Å; A101-Q329 HydrophobicContact CB-CG 4.24Å; I102-Q329 HydrophobicContact CD1-CG 4.32Å; I102-Q329 HydrophobicContact CG1-CG 3.44Å; I102-Q329 VanDerWaalsContact CG1-CG 3.44Å; A279-Q329 PolarHBondContact O-NE2 3.35Å; D280-Q329 PolarHBondContact O-NE2 3.49Å; Q329-D331 PolarHBondContact O-N 3.01Å; Q329-I332 HydrophobicContact CG-CD1 4.24Å; Q329-I332 WeakPolarHBondContact O-CB 3.48Å; Q329-I332 WeakPolarHBondContact O-CG1 3.4Å; Q329-I332 PolarHBondContact O-N 2.91Å |
| 330 | V | 97.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -66.2 | -19.3 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 114.1 | A101 G105 D328 I332 P334 | A101-V330 HydrophobicContact CB-CG1 4Å; G105-V330 WeakPolarHBondContact CA-O 3.38Å; D328-V330 HydrophobicContact CB-CG2 3.96Å; D328-V330 PolarHBondContact O-N 3.48Å; V330-I332 PolarHBondContact O-N 2.94Å; V330-P334 WeakPolarHBondContact O-CD 3.26Å |
| 331 | D | 98 | Very high | 91.4 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -77.6 | -12.2 | 179.2 | -59.9 | -21.7 | 0 | 0 | 0 | 112.2 | V327 D328 Q329 P334 L335 G350 V351 | V327-D331 HydrophobicContact CB-CB 4.16Å; D328-D331 PolarHBondContact N-OD2 2.95Å; D328-D331 VanDerWaalsContact N-OD2 3.14Å; D328-D331 WeakPolarHBondContact O-CB 3.28Å; D328-D331 PolarHBondContact O-N 3.47Å; Q329-D331 PolarHBondContact O-N 3.01Å; D331-P334 VanDerWaalsContact C-CD 3.48Å; D331-P334 VanDerWaalsContact O-CD 3.28Å; D331-P334 WeakPolarHBondContact O-CD 3.46Å; D331-P334 VanDerWaalsContact O-CG 3.25Å; D331-P334 WeakPolarHBondContact O-CG 3.33Å; D331-L335 WeakPolarHBondContact O-CB 3.43Å; D331-L335 PolarHBondContact O-N 3.08Å; D331-L335 VanDerWaalsContact O-N 3.16Å; D331-G350 WeakPolarHBondContact OD1-CA 3.46Å; D331-V351 WeakPolarHBondContact CB-O 3.19Å; D331-V351 PolarHBondContact OD1-N 3.35Å |
| 332 | I | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 177.1 | -59.2 | 172.5 | 0 | 0 | 0 | 110.4 | I102 I276 T278 L301 V327 Q329 V330 L335 M336 | I102-I332 HydrophobicContact CG1-CD1 4.31Å; I102-I332 HydrophobicContact CG2-CB 4.41Å; I102-I332 HydrophobicContact CG2-CG2 3.97Å; I276-I332 HydrophobicContact CG2-CG2 4.43Å; T278-I332 HydrophobicContact CG2-CD1 4.14Å; L301-I332 HydrophobicContact CD1-CD1 4.09Å; L301-I332 HydrophobicContact CD1-CG1 4.33Å; L301-I332 HydrophobicContact CD2-CG1 4.35Å; V327-I332 HydrophobicContact CG2-CG1 4.47Å; Q329-I332 HydrophobicContact CG-CD1 4.24Å; Q329-I332 WeakPolarHBondContact O-CB 3.48Å; Q329-I332 WeakPolarHBondContact O-CG1 3.4Å; Q329-I332 PolarHBondContact O-N 2.91Å; V330-I332 PolarHBondContact O-N 2.94Å; I332-L335 WeakPolarHBondContact O-CB 3.4Å; I332-L335 PolarHBondContact O-N 2.79Å; I332-L335 VanDerWaalsContact O-N 3.16Å; I332-M336 HydrophobicContact CG2-CE 4.22Å; I332-M336 HydrophobicContact CG2-CG 4.17Å; I332-M336 HydrophobicContact CG2-SD 4.28Å; I332-M336 VanDerWaalsContact O-CG 3.29Å; I332-M336 WeakPolarHBondContact O-CG 3.39Å; I332-M336 PolarHBondContact O-N 2.97Å |
| 333 | A | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I102 G105 M336 S337 P345 | I102-A333 WeakPolarHBondContact O-CA 3.4Å; I102-A333 WeakPolarHBondContact O-CB 3.43Å; I102-A333 PolarHBondContact O-N 3.49Å; G105-A333 VanDerWaalsContact CA-CB 3.48Å; A333-M336 PolarHBondContact O-N 3.3Å; A333-S337 PolarHBondContact O-N 3.27Å; A333-S337 PolarHBondContact O-OG 3.4Å; A333-P345 HydrophobicContact CB-CG 4.35Å |
| 334 | P | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -33.4 | 173.5 | 23.5 | -31.4 | 0 | 0 | 0 | 113 | V330 D331 S337 A338 F344 L352 | V330-P334 WeakPolarHBondContact O-CD 3.26Å; D331-P334 VanDerWaalsContact C-CD 3.48Å; D331-P334 VanDerWaalsContact O-CD 3.28Å; D331-P334 WeakPolarHBondContact O-CD 3.46Å; D331-P334 VanDerWaalsContact O-CG 3.25Å; D331-P334 WeakPolarHBondContact O-CG 3.33Å; P334-S337 PolarHBondContact O-N 2.95Å; P334-A338 WeakPolarHBondContact O-CB 3.29Å; P334-A338 PolarHBondContact O-N 3.39Å; P334-F344 HydrophobicContact CB-CD1 3.54Å; P334-F344 HydrophobicContact CB-CE1 3.56Å; P334-F344 WeakPolarHBondContact O-CE1 3.46Å; P334-L352 HydrophobicContact CB-CB 4.37Å; P334-L352 HydrophobicContact CB-CD1 4.36Å; P334-L352 WeakPolarHBondContact O-CD1 3.39Å |
| 335 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 172.8 | 175.3 | 59.9 | 0 | 0 | 0 | 111.5 | I276 D331 I332 S337 A338 L339 P353 Y356 L357 | I276-L335 HydrophobicContact CD1-CD2 4.16Å; I276-L335 HydrophobicContact CD1-CG 4.29Å; D331-L335 WeakPolarHBondContact O-CB 3.43Å; D331-L335 PolarHBondContact O-N 3.08Å; D331-L335 VanDerWaalsContact O-N 3.16Å; I332-L335 WeakPolarHBondContact O-CB 3.4Å; I332-L335 PolarHBondContact O-N 2.79Å; I332-L335 VanDerWaalsContact O-N 3.16Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 3.25Å; L335-A338 PolarHBondContact O-N 3.09Å; L335-L339 HydrophobicContact CD1-CD1 4.22Å; L335-L339 HydrophobicContact CD1-CG 4.4Å; L335-L339 HydrophobicContact CG-CD1 4.2Å; L335-L339 WeakPolarHBondContact O-CG 3.36Å; L335-L339 PolarHBondContact O-N 3.14Å; L335-L339 VanDerWaalsContact O-N 3.12Å; L335-P353 HydrophobicContact CB-CG 4.02Å; L335-P353 HydrophobicContact CD1-CG 4.36Å; L335-P353 HydrophobicContact CD2-CG 4.29Å; L335-P353 HydrophobicContact CG-CG 4.46Å; L335-Y356 HydrophobicContact CD2-CD1 4.18Å; L335-Y356 HydrophobicContact CD2-CG 4.21Å; L335-L357 HydrophobicContact CD1-CD2 3.89Å; L335-L357 HydrophobicContact CD1-CG 4.36Å |
| 336 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.4 | -70.9 | -166.9 | -64.5 | 0 | 0 | 111.9 | L48 L50 I102 F127 I276 I332 A333 A338 L339 I340 | L48-M336 HydrophobicContact CD2-CB 3.58Å; L48-M336 HydrophobicContact CD2-CG 3.38Å; L48-M336 HydrophobicContact CD2-SD 3.49Å; L48-M336 WeakPolarHBondContact CD2-SD 3.28Å; L50-M336 HydrophobicContact CB-SD 4.43Å; L50-M336 HydrophobicContact CD1-SD 4.08Å; L50-M336 HydrophobicContact CD2-CE 4.34Å; L50-M336 HydrophobicContact CD2-SD 3.81Å; L50-M336 HydrophobicContact CG-SD 4.32Å; I102-M336 HydrophobicContact CG2-CE 4.41Å; I102-M336 WeakPolarHBondContact O-CE 3.43Å; F127-M336 HydrophobicContact CB-CE 4.17Å; F127-M336 HydrophobicContact CD1-CB 4.33Å; F127-M336 HydrophobicContact CD1-CE 4Å; F127-M336 HydrophobicContact CD1-SD 4.14Å; F127-M336 HydrophobicContact CD2-CB 3.79Å; F127-M336 HydrophobicContact CE1-CB 4.25Å; F127-M336 HydrophobicContact CE1-SD 4.22Å; F127-M336 HydrophobicContact CE2-CB 3.67Å; F127-M336 HydrophobicContact CG-CB 4.11Å; F127-M336 HydrophobicContact CG-CE 4.09Å; F127-M336 HydrophobicContact CZ-CB 3.9Å; I276-M336 HydrophobicContact CD1-CG 3.65Å; I332-M336 HydrophobicContact CG2-CE 4.22Å; I332-M336 HydrophobicContact CG2-CG 4.17Å; I332-M336 HydrophobicContact CG2-SD 4.28Å; I332-M336 VanDerWaalsContact O-CG 3.29Å; I332-M336 WeakPolarHBondContact O-CG 3.39Å; I332-M336 PolarHBondContact O-N 2.97Å; A333-M336 PolarHBondContact O-N 3.3Å; M336-A338 VanDerWaalsContact C-N 3.34Å; M336-A338 PolarHBondContact O-N 3.22Å; M336-L339 PolarHBondContact O-N 3.41Å; M336-I340 PolarHBondContact O-N 3.38Å |
| 337 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | -180 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | A333 P334 L335 L339 G341 A342 | A333-S337 PolarHBondContact O-N 3.27Å; A333-S337 PolarHBondContact O-OG 3.4Å; P334-S337 PolarHBondContact O-N 2.95Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 3.25Å; S337-L339 PolarHBondContact O-N 2.94Å; S337-G341 WeakPolarHBondContact O-CA 3.33Å; S337-G341 PolarHBondContact O-N 2.92Å; S337-A342 PolarHBondContact O-N 3.12Å |
| 338 | A | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 7 Ų | 7 | 2% | 0.017 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P334 L335 M336 F344 L352 L357 L367 | P334-A338 WeakPolarHBondContact O-CB 3.29Å; P334-A338 PolarHBondContact O-N 3.39Å; L335-A338 PolarHBondContact O-N 3.09Å; M336-A338 VanDerWaalsContact C-N 3.34Å; M336-A338 PolarHBondContact O-N 3.22Å; A338-F344 HydrophobicContact CB-CZ 4.49Å; A338-L352 HydrophobicContact CB-CD1 3.5Å; A338-L352 HydrophobicContact CB-CD2 4.22Å; A338-L357 HydrophobicContact CB-CD1 4.1Å; A338-L367 HydrophobicContact CB-CD1 4.36Å; A338-L367 HydrophobicContact CB-CD2 3.84Å |
| 339 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | -178.8 | -74.6 | 164 | 0 | 0 | 0 | 112.6 | P44 A45 L48 A274 I276 I308 L335 M336 S337 L357 | P44-L339 WeakPolarHBondContact CD-O 3.47Å; P44-L339 HydrophobicContact CG-CD2 4.37Å; P44-L339 WeakPolarHBondContact CG-O 3.38Å; A45-L339 WeakPolarHBondContact CB-O 3.12Å; A45-L339 PolarHBondContact N-O 3.42Å; L48-L339 HydrophobicContact CD1-CD1 3.99Å; A274-L339 HydrophobicContact CB-CB 4.37Å; A274-L339 HydrophobicContact CB-CD1 4.11Å; A274-L339 HydrophobicContact CB-CD2 4.3Å; A274-L339 HydrophobicContact CB-CG 4.5Å; I276-L339 HydrophobicContact CD1-CD1 4.09Å; I308-L339 HydrophobicContact CD1-CD1 3.92Å; I308-L339 HydrophobicContact CD1-CD2 3.66Å; I308-L339 HydrophobicContact CD1-CG 4.38Å; I308-L339 HydrophobicContact CG1-CD2 4.17Å; L335-L339 HydrophobicContact CD1-CD1 4.22Å; L335-L339 HydrophobicContact CD1-CG 4.4Å; L335-L339 HydrophobicContact CG-CD1 4.2Å; L335-L339 WeakPolarHBondContact O-CG 3.36Å; L335-L339 PolarHBondContact O-N 3.14Å; L335-L339 VanDerWaalsContact O-N 3.12Å; M336-L339 PolarHBondContact O-N 3.41Å; S337-L339 PolarHBondContact O-N 2.94Å; L339-L357 HydrophobicContact CD2-CD2 3.76Å; L339-L357 HydrophobicContact CG-CD2 4.14Å |
| 340 | I | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -101.1 | -1.4 | -176.8 | 67.7 | 173.2 | 0 | 0 | 0 | 113.9 | P43 A45 L48 F127 K222 M336 A342 | P43-I340 VanDerWaalsContact CB-C 3.4Å; P43-I340 WeakPolarHBondContact CB-O 3.44Å; A45-I340 HydrophobicContact CB-CG2 4.28Å; A45-I340 WeakPolarHBondContact O-CA 3.17Å; L48-I340 HydrophobicContact CB-CG2 3.8Å; F127-I340 HydrophobicContact CE2-CD1 3.45Å; F127-I340 VanDerWaalsContact CE2-CD1 3.45Å; F127-I340 HydrophobicContact CE2-CG1 3.92Å; F127-I340 HydrophobicContact CZ-CD1 3.34Å; F127-I340 HydrophobicContact CZ-CG1 4.17Å; K222-I340 HydrophobicContact CB-CD1 4.32Å; K222-I340 WeakPolarHBondContact CG-O 3.23Å; M336-I340 PolarHBondContact O-N 3.38Å; I340-A342 VanDerWaalsContact C-N 3.34Å; I340-A342 HydrophobicContact CD1-CB 4.25Å; I340-A342 HydrophobicContact CG1-CB 4.04Å |
| 341 | G | 95.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 6.5 Ų | 6.5 | 16% | 0.155 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 27.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K222 S337 | K222-G341 WeakPolarHBondContact CE-O 3.15Å; K222-G341 PolarHBondContact NZ-O 3.18Å; S337-G341 WeakPolarHBondContact O-CA 3.33Å; S337-G341 PolarHBondContact O-N 2.92Å |
| 342 | A | 95 | Very high | 96.8 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 2% | 0.017 | 4% | 0.04 | C | C | . | . | P | Polyproline II helix | trans | -69 | 159.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F127 Q130 S337 I340 | F127-A342 HydrophobicContact CE2-CB 4.32Å; Q130-A342 HydrophobicContact CB-CB 4.17Å; Q130-A342 WeakPolarHBondContact O-CB 3.3Å; S337-A342 PolarHBondContact O-N 3.12Å; I340-A342 VanDerWaalsContact C-N 3.34Å; I340-A342 HydrophobicContact CD1-CB 4.25Å; I340-A342 HydrophobicContact CG1-CB 4.04Å |
| 343 | A | 95.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 6.2 Ų | 6.2 | 10% | 0.099 | 4% | 0.043 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 152 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P36 Q130 | P36-A343 HydrophobicContact CB-CB 3.87Å; Q130-A343 HydrophobicContact CB-CB 4.49Å; Q130-A343 VanDerWaalsContact CB-O 3.29Å; Q130-A343 WeakPolarHBondContact CB-O 3.32Å; Q130-A343 HydrophobicContact CG-CB 4.33Å; Q130-A343 WeakPolarHBondContact CG-O 3.37Å |
| 344 | F | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 139 | 172.9 | -65.9 | -75.3 | 0 | 0 | 0 | 109.2 | H37 P334 A338 A346 L352 A370 N371 Q374 | H37-F344 VanDerWaalsContact O-CD2 3.29Å; H37-F344 WeakPolarHBondContact O-CD2 3.45Å; H37-F344 PolarHBondContact O-N 3.42Å; P334-F344 HydrophobicContact CB-CD1 3.54Å; P334-F344 HydrophobicContact CB-CE1 3.56Å; P334-F344 WeakPolarHBondContact O-CE1 3.46Å; A338-F344 HydrophobicContact CB-CZ 4.49Å; F344-A346 PolarHBondContact O-N 2.9Å; F344-L352 HydrophobicContact CE1-CD1 4.42Å; F344-L352 HydrophobicContact CZ-CD2 4.33Å; F344-A370 HydrophobicContact CD2-CB 4.11Å; F344-A370 HydrophobicContact CE2-CB 3.64Å; F344-N371 HydrophobicContact CD1-CB 4.41Å; F344-N371 HydrophobicContact CD2-CB 4.25Å; F344-N371 HydrophobicContact CE1-CB 4.1Å; F344-N371 HydrophobicContact CE2-CB 3.97Å; F344-N371 VanDerWaalsContact CE2-N 3.35Å; F344-N371 HydrophobicContact CG-CB 4.49Å; F344-N371 HydrophobicContact CZ-CB 3.88Å; F344-Q374 HydrophobicContact CB-CB 4.05Å; F344-Q374 HydrophobicContact CB-CG 3.89Å |
| 345 | P | 95.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 136.2 | 178.7 | -22.7 | 32.3 | 0 | 0 | 0 | 110.4 | D125 F127 A333 N347 S348 | D125-P345 VanDerWaalsContact OD2-CA 3.32Å; D125-P345 WeakPolarHBondContact OD2-CA 3.27Å; F127-P345 HydrophobicContact CB-CG 4.36Å; A333-P345 HydrophobicContact CB-CG 4.35Å; P345-N347 PolarHBondContact O-N 3.1Å; P345-N347 VanDerWaalsContact O-N 3.17Å; P345-S348 VanDerWaalsContact O-CB 3.25Å; P345-S348 WeakPolarHBondContact O-CB 3.48Å; P345-S348 PolarHBondContact O-N 2.98Å |
| 346 | A | 94.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 11.8 Ų | 11.8 | 7% | 0.066 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M34 D125 F344 Q374 Q378 | M34-A346 HydrophobicContact CB-CB 4.48Å; M34-A346 HydrophobicContact CE-CB 3.84Å; M34-A346 VanDerWaalsContact SD-O 3.38Å; D125-A346 HydrophobicContact CB-CB 3.75Å; D125-A346 WeakPolarHBondContact OD2-CB 3.44Å; D125-A346 PolarHBondContact OD2-N 2.78Å; F344-A346 PolarHBondContact O-N 2.9Å; A346-Q374 VanDerWaalsContact CA-NE2 3.3Å; A346-Q374 PolarHBondContact O-NE2 3.31Å; A346-Q374 VanDerWaalsContact O-NE2 3.1Å; A346-Q378 WeakPolarHBondContact O-CG 3.16Å; A346-Q378 PolarHBondContact O-NE2 3.39Å |
| 347 | N | 94.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 3.4 | 178.8 | -62.8 | 99.5 | 0 | 0 | 0 | 114 | L30 V31 F106 D125 P345 V349 Q378 | L30-N347 HydrophobicContact CD2-CB 3.95Å; V31-N347 PolarHBondContact O-ND2 3.15Å; F106-N347 HydrophobicContact CD1-CB 3.94Å; F106-N347 HydrophobicContact CE1-CB 4.04Å; D125-N347 PolarHBondContact N-OD1 3.43Å; P345-N347 PolarHBondContact O-N 3.1Å; P345-N347 VanDerWaalsContact O-N 3.17Å; N347-V349 PolarHBondContact O-N 3.21Å; N347-Q378 PolarHBondContact O-OE1 3.36Å |
| 348 | S | 96.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | trans | -68.5 | 130 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | S104 G105 P345 G350 L375 Q378 | S104-S348 WeakPolarHBondContact O-CA 3.25Å; S104-S348 WeakPolarHBondContact O-CB 3.33Å; G105-S348 CarbonylContact O-C 3.4Å; G105-S348 WeakPolarHBondContact O-CA 3.37Å; G105-S348 PolarHBondContact O-OG 2.54Å; P345-S348 VanDerWaalsContact O-CB 3.25Å; P345-S348 WeakPolarHBondContact O-CB 3.48Å; P345-S348 PolarHBondContact O-N 2.98Å; S348-G350 PolarHBondContact OG-N 3.07Å; S348-L375 WeakPolarHBondContact O-CD2 3.23Å; S348-Q378 PolarHBondContact O-NE2 2.72Å | ||
| 349 | V | 96.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 17.9 Ų | 17.9 | 21% | 0.212 | 10% | 0.103 | C | C | . | . | trans | -101.1 | 3.9 | 168.1 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | G105 F106 N347 L437 M440 | G105-V349 WeakPolarHBondContact O-CG2 3.44Å; G105-V349 PolarHBondContact O-N 2.76Å; F106-V349 HydrophobicContact CB-CG2 3.93Å; N347-V349 PolarHBondContact O-N 3.21Å; V349-L437 HydrophobicContact CB-CD2 3.94Å; V349-L437 HydrophobicContact CG1-CD2 4.21Å; V349-M440 HydrophobicContact CG1-CE 3.82Å | ||
| 350 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 146.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G105 D331 S348 N371 | G105-G350 PolarHBondContact O-N 3.12Å; D331-G350 WeakPolarHBondContact OD1-CA 3.46Å; S348-G350 PolarHBondContact OG-N 3.07Å; G350-N371 PolarHBondContact O-ND2 3.16Å |
| 351 | V | 97.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 24.9 Ų | 24.9 | 22% | 0.218 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 123.3 | 178.7 | -173 | 0 | 0 | 0 | 0 | 109.1 | D331 P353 I433 | D331-V351 WeakPolarHBondContact CB-O 3.19Å; D331-V351 PolarHBondContact OD1-N 3.35Å; V351-P353 WeakPolarHBondContact O-CD 3.28Å; V351-P353 VanDerWaalsContact O-N 3.14Å; V351-I433 HydrophobicContact CG1-CD1 4Å; V351-I433 HydrophobicContact CG1-CG2 4.45Å; V351-I433 HydrophobicContact CG2-CG2 3.62Å |
| 352 | L | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 117.2 | -177.4 | 178.2 | 67.1 | 0 | 0 | 0 | 112 | P334 A338 F344 L354 L357 L367 M368 N371 | P334-L352 HydrophobicContact CB-CB 4.37Å; P334-L352 HydrophobicContact CB-CD1 4.36Å; P334-L352 WeakPolarHBondContact O-CD1 3.39Å; A338-L352 HydrophobicContact CB-CD1 3.5Å; A338-L352 HydrophobicContact CB-CD2 4.22Å; F344-L352 HydrophobicContact CE1-CD1 4.42Å; F344-L352 HydrophobicContact CZ-CD2 4.33Å; L352-L354 HydrophobicContact CD2-CD2 3.72Å; L352-L354 HydrophobicContact CG-CD2 4.15Å; L352-L354 PolarHBondContact O-N 2.89Å; L352-L357 HydrophobicContact CD1-CD1 4.19Å; L352-L357 HydrophobicContact CD2-CD1 4.15Å; L352-L357 HydrophobicContact CG-CD1 4.37Å; L352-L367 HydrophobicContact CD2-CB 3.59Å; L352-M368 HydrophobicContact CB-CE 4.12Å; L352-M368 WeakPolarHBondContact O-CE 3.34Å; L352-N371 HydrophobicContact CB-CB 4.22Å; L352-N371 PolarHBondContact N-OD1 2.77Å |
| 353 | P | 96.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | trans | -79.9 | 86.4 | -179.9 | 32.3 | -34.6 | 0 | 0 | 0 | 110.8 | V327 L335 V351 Q355 Y356 | V327-P353 HydrophobicContact CG1-CB 3.86Å; V327-P353 HydrophobicContact CG1-CG 4.23Å; L335-P353 HydrophobicContact CB-CG 4.02Å; L335-P353 HydrophobicContact CD1-CG 4.36Å; L335-P353 HydrophobicContact CD2-CG 4.29Å; L335-P353 HydrophobicContact CG-CG 4.46Å; V351-P353 WeakPolarHBondContact O-CD 3.28Å; V351-P353 VanDerWaalsContact O-N 3.14Å; P353-Q355 PolarHBondContact O-N 3.34Å; P353-Y356 HydrophobicContact CB-CD2 3.96Å; P353-Y356 HydrophobicContact CG-CD2 4.22Å; P353-Y356 PolarHBondContact O-N 3.21Å; P353-Y356 VanDerWaalsContact O-N 3.09Å | ||
| 354 | L | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -57.7 | -18.8 | -175.9 | -69.6 | 178.5 | 0 | 0 | 0 | 115 | L352 Y356 L357 K364 M368 A426 | L352-L354 HydrophobicContact CD2-CD2 3.72Å; L352-L354 HydrophobicContact CG-CD2 4.15Å; L352-L354 PolarHBondContact O-N 2.89Å; L354-Y356 VanDerWaalsContact C-N 3.31Å; L354-L357 HydrophobicContact CD2-CD1 4.35Å; L354-L357 PolarHBondContact O-N 3.49Å; L354-K364 HydrophobicContact CD2-CB 4.08Å; L354-K364 HydrophobicContact CD2-CG 4.41Å; L354-K364 PolarHBondContact O-NZ 2.97Å; L354-M368 HydrophobicContact CD1-CB 4.18Å; L354-M368 HydrophobicContact CD1-CE 3.59Å; L354-M368 HydrophobicContact CD1-CG 4.4Å; L354-M368 HydrophobicContact CD2-CB 4.4Å; L354-M368 HydrophobicContact CD2-CE 4.19Å; L354-M368 HydrophobicContact CG-CE 3.57Å; L354-A426 HydrophobicContact CD1-CB 4.24Å |
| 355 | Q | 94 | Very high | 95.4 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 41% | 0.407 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -70.4 | -27.9 | 178.6 | -56 | 90.5 | -13.3 | 0 | 0 | 112.5 | N309 L325 P353 L357 | N309-Q355 WeakPolarHBondContact CB-O 3.32Å; N309-Q355 PolarHBondContact ND2-O 3.14Å; L325-Q355 HydrophobicContact CD2-CB 3.53Å; L325-Q355 HydrophobicContact CD2-CG 3.95Å; P353-Q355 PolarHBondContact O-N 3.34Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.2Å |
| 356 | Y | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -74.1 | -17.4 | 176.5 | -81.7 | -101.5 | 0 | 0 | 0 | 112.8 | G85 L301 A303 I308 N309 L325 V327 L335 P353 L354 | G85-Y356 PolarHBondContact N-OH 3.22Å; L301-Y356 HydrophobicContact CD2-CE1 4.07Å; L301-Y356 HydrophobicContact CG-CE1 4.33Å; A303-Y356 HydrophobicContact CB-CD1 4.04Å; A303-Y356 HydrophobicContact CB-CE1 4.31Å; I308-Y356 CarbonylContact C-O 3.53Å; I308-Y356 WeakPolarHBondContact CA-O 3.32Å; N309-Y356 PolarHBondContact N-O 3.32Å; L325-Y356 HydrophobicContact CB-CE2 3.77Å; L325-Y356 HydrophobicContact CD1-CE2 4.42Å; L325-Y356 WeakPolarHBondContact O-CE2 3.21Å; L325-Y356 PolarHBondContact O-OH 3.47Å; V327-Y356 HydrophobicContact CG1-CD2 4.48Å; V327-Y356 HydrophobicContact CG1-CE2 3.79Å; L335-Y356 HydrophobicContact CD2-CD1 4.18Å; L335-Y356 HydrophobicContact CD2-CG 4.21Å; P353-Y356 HydrophobicContact CB-CD2 3.96Å; P353-Y356 HydrophobicContact CG-CD2 4.22Å; P353-Y356 PolarHBondContact O-N 3.21Å; P353-Y356 VanDerWaalsContact O-N 3.09Å; L354-Y356 VanDerWaalsContact C-N 3.31Å |
| 357 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 124.5 | -174 | -62.5 | 177.6 | 0 | 0 | 0 | 112.5 | G307 L335 A338 L339 L352 L354 Q355 V359 K364 L367 | G307-L357 WeakPolarHBondContact O-CA 3.27Å; L335-L357 HydrophobicContact CD1-CD2 3.89Å; L335-L357 HydrophobicContact CD1-CG 4.36Å; A338-L357 HydrophobicContact CB-CD1 4.1Å; L339-L357 HydrophobicContact CD2-CD2 3.76Å; L339-L357 HydrophobicContact CG-CD2 4.14Å; L352-L357 HydrophobicContact CD1-CD1 4.19Å; L352-L357 HydrophobicContact CD2-CD1 4.15Å; L352-L357 HydrophobicContact CG-CD1 4.37Å; L354-L357 HydrophobicContact CD2-CD1 4.35Å; L354-L357 PolarHBondContact O-N 3.49Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.2Å; L357-V359 HydrophobicContact CB-CG2 4.17Å; L357-V359 PolarHBondContact O-N 2.74Å; L357-K364 WeakPolarHBondContact O-CE 3.33Å; L357-K364 PolarHBondContact O-NZ 3.07Å; L357-L367 HydrophobicContact CD1-CD1 3.92Å |
| 358 | N | 95.5 | Very high | 95.6 | Very high | 106 Ų | 106 | 33.7 Ų | 33.7 | 57% | 0.567 | 18% | 0.181 | S | C | * | . | trans | -94.1 | 72.5 | 167.9 | -168.4 | 12.1 | 0 | 0 | 0 | 110.9 | G307 N309 | G307-N358 PolarHBondContact O-N 3.13Å; N309-N358 HydrophobicContact CB-CB 4.26Å | ||
| 359 | V | 94.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | trans | -133.3 | 161.2 | 177.6 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | P44 L357 N363 K364 L367 | P44-V359 HydrophobicContact CB-CG1 3.88Å; P44-V359 HydrophobicContact CG-CG1 3.88Å; L357-V359 HydrophobicContact CB-CG2 4.17Å; L357-V359 PolarHBondContact O-N 2.74Å; V359-N363 HydrophobicContact CB-CB 4.03Å; V359-N363 HydrophobicContact CG2-CB 3.92Å; V359-K364 HydrophobicContact CG2-CB 4.5Å; V359-K364 HydrophobicContact CG2-CG 3.53Å; V359-K364 WeakPolarHBondContact O-CE 3.19Å; V359-L367 HydrophobicContact CG2-CD1 4.27Å | ||
| 360 | S | 94.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 33.1 Ų | 33.1 | 43% | 0.434 | 18% | 0.177 | S | C | . | . | trans | -56.1 | 151.5 | 178.8 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | R362 N363 K364 | S360-R362 PolarHBondContact O-N 3.19Å; S360-R362 VanDerWaalsContact O-N 3.12Å; S360-N363 PolarHBondContact O-N 3.14Å; S360-N363 PolarHBondContact OG-N 2.92Å; S360-K364 PolarHBondContact O-N 2.87Å | ||
| 361 | S | 93.1 | Very high | 95.7 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 59% | 0.594 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -55.6 | -33.2 | 178 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | A365 | S361-A365 WeakPolarHBondContact O-CB 3.33Å; S361-A365 PolarHBondContact O-N 3.22Å; S361-A365 VanDerWaalsContact O-N 3.09Å |
| 362 | R | 94.3 | Very high | 95.7 | Very high | 116 Ų | 116 | 31.6 Ų | 31.6 | 44% | 0.438 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.9 | -50.5 | 172.1 | 177.9 | 177.4 | -176.2 | -89.7 | 2.5 | 111.6 | S360 A365 L366 Y422 | S360-R362 PolarHBondContact O-N 3.19Å; S360-R362 VanDerWaalsContact O-N 3.12Å; R362-A365 PolarHBondContact O-N 2.76Å; R362-L366 HydrophobicContact CG-CD1 4.12Å; R362-L366 WeakPolarHBondContact O-CG 3.36Å; R362-L366 PolarHBondContact O-N 2.94Å; R362-Y422 HydrophobicContact CB-CD1 4.26Å; R362-Y422 HydrophobicContact CB-CD2 4.04Å; R362-Y422 HydrophobicContact CB-CE1 4.08Å; R362-Y422 HydrophobicContact CB-CE2 3.84Å; R362-Y422 HydrophobicContact CB-CG 4.24Å; R362-Y422 HydrophobicContact CG-CD1 4.24Å; R362-Y422 HydrophobicContact CG-CE1 3.7Å; R362-Y422 HydrophobicContact CG-CE2 4.18Å |
| 363 | N | 94.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | -179.1 | -72.7 | 3.2 | 0 | 0 | 0 | 111.4 | A41 V359 S360 A365 L366 L367 | A41-N363 HydrophobicContact CB-CB 4.27Å; V359-N363 HydrophobicContact CB-CB 4.03Å; V359-N363 HydrophobicContact CG2-CB 3.92Å; S360-N363 PolarHBondContact O-N 3.14Å; S360-N363 PolarHBondContact OG-N 2.92Å; N363-A365 VanDerWaalsContact C-N 3.27Å; N363-A365 PolarHBondContact O-N 2.93Å; N363-L366 PolarHBondContact O-N 2.99Å; N363-L367 WeakPolarHBondContact O-CB 3.35Å; N363-L367 WeakPolarHBondContact O-CD1 3.16Å; N363-L367 VanDerWaalsContact O-CG 3.25Å; N363-L367 WeakPolarHBondContact O-CG 3.33Å; N363-L367 PolarHBondContact O-N 3.25Å |
| 364 | K | 95.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 35.6 Ų | 35.6 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.2 | -46.7 | 172.7 | -70 | -166 | 177.3 | -164.6 | 0 | 111.3 | L354 L357 V359 S360 L367 M368 | L354-K364 HydrophobicContact CD2-CB 4.08Å; L354-K364 HydrophobicContact CD2-CG 4.41Å; L354-K364 PolarHBondContact O-NZ 2.97Å; L357-K364 WeakPolarHBondContact O-CE 3.33Å; L357-K364 PolarHBondContact O-NZ 3.07Å; V359-K364 HydrophobicContact CG2-CB 4.5Å; V359-K364 HydrophobicContact CG2-CG 3.53Å; V359-K364 WeakPolarHBondContact O-CE 3.19Å; S360-K364 PolarHBondContact O-N 2.87Å; K364-L367 PolarHBondContact O-N 2.86Å; K364-M368 WeakPolarHBondContact O-CB 3.44Å; K364-M368 PolarHBondContact O-N 3.44Å |
| 365 | A | 95.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -40.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S361 R362 N363 M368 L369 Y422 M425 A426 | S361-A365 WeakPolarHBondContact O-CB 3.33Å; S361-A365 PolarHBondContact O-N 3.22Å; S361-A365 VanDerWaalsContact O-N 3.09Å; R362-A365 PolarHBondContact O-N 2.76Å; N363-A365 VanDerWaalsContact C-N 3.27Å; N363-A365 PolarHBondContact O-N 2.93Å; A365-M368 PolarHBondContact O-N 3.38Å; A365-L369 VanDerWaalsContact O-CB 3.29Å; A365-L369 WeakPolarHBondContact O-CB 3.1Å; A365-L369 PolarHBondContact O-N 3.29Å; A365-Y422 HydrophobicContact CB-CD1 4.25Å; A365-Y422 HydrophobicContact CB-CG 4.46Å; A365-Y422 WeakPolarHBondContact CB-O 3.45Å; A365-M425 HydrophobicContact CB-CE 3.3Å; A365-M425 VanDerWaalsContact O-CE 3.22Å; A365-M425 WeakPolarHBondContact O-CE 3.45Å; A365-A426 HydrophobicContact CB-CB 4.31Å |
| 366 | L | 96 | Very high | 95.9 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.3 | -70.2 | 174.9 | 0 | 0 | 0 | 112.8 | A41 R362 N363 A370 L417 | A41-L366 HydrophobicContact CB-CB 4.47Å; A41-L366 HydrophobicContact CB-CD1 4.45Å; R362-L366 HydrophobicContact CG-CD1 4.12Å; R362-L366 WeakPolarHBondContact O-CG 3.36Å; R362-L366 PolarHBondContact O-N 2.94Å; N363-L366 PolarHBondContact O-N 2.99Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 2.81Å; L366-L417 HydrophobicContact CD2-CD1 4.01Å |
| 367 | L | 96.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.9 | -72.8 | 163.6 | 0 | 0 | 0 | 111.3 | A39 A338 L352 L357 V359 N363 K364 L369 A370 N371 | A39-L367 HydrophobicContact CB-CD2 3.53Å; A39-L367 HydrophobicContact CB-CG 4.05Å; A338-L367 HydrophobicContact CB-CD1 4.36Å; A338-L367 HydrophobicContact CB-CD2 3.84Å; L352-L367 HydrophobicContact CD2-CB 3.59Å; L357-L367 HydrophobicContact CD1-CD1 3.92Å; V359-L367 HydrophobicContact CG2-CD1 4.27Å; N363-L367 WeakPolarHBondContact O-CB 3.35Å; N363-L367 WeakPolarHBondContact O-CD1 3.16Å; N363-L367 VanDerWaalsContact O-CG 3.25Å; N363-L367 WeakPolarHBondContact O-CG 3.33Å; N363-L367 PolarHBondContact O-N 3.25Å; K364-L367 PolarHBondContact O-N 2.86Å; L367-L369 PolarHBondContact O-N 3.33Å; L367-A370 PolarHBondContact O-N 3.25Å; L367-N371 PolarHBondContact O-N 2.68Å |
| 368 | M | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.9 | -178 | 54 | 66 | 0 | 0 | 112.1 | L352 L354 K364 A365 A370 N371 F372 A426 C429 I433 | L352-M368 HydrophobicContact CB-CE 4.12Å; L352-M368 WeakPolarHBondContact O-CE 3.34Å; L354-M368 HydrophobicContact CD1-CB 4.18Å; L354-M368 HydrophobicContact CD1-CE 3.59Å; L354-M368 HydrophobicContact CD1-CG 4.4Å; L354-M368 HydrophobicContact CD2-CB 4.4Å; L354-M368 HydrophobicContact CD2-CE 4.19Å; L354-M368 HydrophobicContact CG-CE 3.57Å; K364-M368 WeakPolarHBondContact O-CB 3.44Å; K364-M368 PolarHBondContact O-N 3.44Å; A365-M368 PolarHBondContact O-N 3.38Å; M368-A370 VanDerWaalsContact C-N 3.32Å; M368-A370 PolarHBondContact O-N 3.1Å; M368-N371 PolarHBondContact O-N 3.42Å; M368-F372 VanDerWaalsContact O-CB 3.31Å; M368-F372 WeakPolarHBondContact O-CB 3.38Å; M368-F372 PolarHBondContact O-N 2.89Å; M368-A426 HydrophobicContact CB-CB 4.39Å; M368-A426 HydrophobicContact CG-CB 4.37Å; M368-C429 HydrophobicContact CG-CB 3.66Å; M368-C429 HydrophobicContact SD-CB 4.39Å; M368-I433 HydrophobicContact SD-CD1 3.83Å |
| 369 | L | 96.3 | Very high | 96 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 174.7 | 178.8 | 63.1 | 0 | 0 | 0 | 112.1 | A365 L367 F372 K373 L413 M425 | A365-L369 VanDerWaalsContact O-CB 3.29Å; A365-L369 WeakPolarHBondContact O-CB 3.1Å; A365-L369 PolarHBondContact O-N 3.29Å; L367-L369 PolarHBondContact O-N 3.33Å; L369-F372 HydrophobicContact CD1-CD1 4.46Å; L369-K373 HydrophobicContact CG-CD 4.45Å; L369-K373 WeakPolarHBondContact O-CB 3.42Å; L369-K373 VanDerWaalsContact O-CG 3.29Å; L369-K373 WeakPolarHBondContact O-CG 3.49Å; L369-K373 PolarHBondContact O-N 3.04Å; L369-L413 HydrophobicContact CD1-CB 4.48Å; L369-L413 HydrophobicContact CD1-CD1 3.89Å; L369-M425 HydrophobicContact CB-CE 4.19Å; L369-M425 HydrophobicContact CD2-CE 4.26Å; L369-M425 HydrophobicContact CD2-SD 4.13Å |
| 370 | A | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.1 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A39 F344 L366 L367 M368 K373 Q374 | A39-A370 HydrophobicContact CB-CB 4Å; F344-A370 HydrophobicContact CD2-CB 4.11Å; F344-A370 HydrophobicContact CE2-CB 3.64Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 2.81Å; L367-A370 PolarHBondContact O-N 3.25Å; M368-A370 VanDerWaalsContact C-N 3.32Å; M368-A370 PolarHBondContact O-N 3.1Å; A370-K373 PolarHBondContact O-N 2.91Å; A370-Q374 PolarHBondContact O-N 2.91Å |
| 371 | N | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 172.2 | 175.5 | -133.7 | 0 | 0 | 0 | 111.4 | F344 G350 L352 L367 M368 K373 Q374 L375 | F344-N371 HydrophobicContact CD1-CB 4.41Å; F344-N371 HydrophobicContact CD2-CB 4.25Å; F344-N371 HydrophobicContact CE1-CB 4.1Å; F344-N371 HydrophobicContact CE2-CB 3.97Å; F344-N371 VanDerWaalsContact CE2-N 3.35Å; F344-N371 HydrophobicContact CG-CB 4.49Å; F344-N371 HydrophobicContact CZ-CB 3.88Å; G350-N371 PolarHBondContact O-ND2 3.16Å; L352-N371 HydrophobicContact CB-CB 4.22Å; L352-N371 PolarHBondContact N-OD1 2.77Å; L367-N371 PolarHBondContact O-N 2.68Å; M368-N371 PolarHBondContact O-N 3.42Å; N371-K373 VanDerWaalsContact C-N 3.34Å; N371-K373 PolarHBondContact O-N 3.42Å; N371-Q374 PolarHBondContact O-N 2.88Å; N371-L375 WeakPolarHBondContact O-CG 3.36Å; N371-L375 PolarHBondContact O-N 3Å; N371-L375 VanDerWaalsContact O-N 3.08Å |
| 372 | F | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.2 | -46.2 | 172.9 | 171.2 | -88.2 | 0 | 0 | 0 | 112.3 | M368 L369 Q374 L375 L376 M401 L409 L413 C429 W432 I433 I436 | M368-F372 VanDerWaalsContact O-CB 3.31Å; M368-F372 WeakPolarHBondContact O-CB 3.38Å; M368-F372 PolarHBondContact O-N 2.89Å; L369-F372 HydrophobicContact CD1-CD1 4.46Å; F372-Q374 PolarHBondContact O-N 3.28Å; F372-L375 PolarHBondContact O-N 3.27Å; F372-L376 HydrophobicContact CE1-CB 4.49Å; F372-L376 HydrophobicContact CE1-CD2 3.86Å; F372-L376 HydrophobicContact CZ-CD2 4.25Å; F372-L376 WeakPolarHBondContact O-CB 3.45Å; F372-L376 PolarHBondContact O-N 3.1Å; F372-M401 HydrophobicContact CZ-CE 4.34Å; F372-L409 HydrophobicContact CE2-CD2 4.16Å; F372-L409 HydrophobicContact CZ-CD2 3.56Å; F372-L409 HydrophobicContact CZ-CG 4.34Å; F372-L413 HydrophobicContact CD1-CD1 4.31Å; F372-L413 HydrophobicContact CE1-CD1 3.92Å; F372-L413 HydrophobicContact CZ-CD1 4.43Å; F372-C429 HydrophobicContact CB-CB 3.99Å; F372-C429 HydrophobicContact CD2-CB 4.15Å; F372-C429 HydrophobicContact CG-CB 4.17Å; F372-W432 HydrophobicContact CE2-CB 3.73Å; F372-I433 HydrophobicContact CD2-CG1 4.15Å; F372-I436 HydrophobicContact CD2-CD1 3.67Å; F372-I436 HydrophobicContact CE1-CD1 4.5Å; F372-I436 HydrophobicContact CE2-CD1 3.23Å; F372-I436 HydrophobicContact CE2-CG1 4.45Å; F372-I436 HydrophobicContact CG-CD1 4.45Å; F372-I436 HydrophobicContact CZ-CD1 3.7Å |
| 373 | K | 96.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 19.7 Ų | 19.7 | 41% | 0.413 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.6 | -77.3 | 178 | 178.7 | -173.8 | 0 | 112.3 | H37 L369 A370 N371 L375 L376 E377 | H37-K373 HydrophobicContact CB-CB 4.39Å; L369-K373 HydrophobicContact CG-CD 4.45Å; L369-K373 WeakPolarHBondContact O-CB 3.42Å; L369-K373 VanDerWaalsContact O-CG 3.29Å; L369-K373 WeakPolarHBondContact O-CG 3.49Å; L369-K373 PolarHBondContact O-N 3.04Å; A370-K373 PolarHBondContact O-N 2.91Å; N371-K373 VanDerWaalsContact C-N 3.34Å; N371-K373 PolarHBondContact O-N 3.42Å; K373-L375 VanDerWaalsContact C-N 3.33Å; K373-L375 PolarHBondContact O-N 3.16Å; K373-L376 PolarHBondContact O-N 3.3Å; K373-E377 WeakPolarHBondContact O-CB 3.29Å; K373-E377 PolarHBondContact O-N 3.22Å |
| 374 | Q | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 177 | -170.7 | 56.1 | 53.4 | 0 | 0 | 112.3 | R35 H37 F344 A346 A370 N371 F372 Q378 | R35-Q374 PolarHBondContact O-OE1 2.91Å; H37-Q374 HydrophobicContact CB-CB 4.3Å; F344-Q374 HydrophobicContact CB-CB 4.05Å; F344-Q374 HydrophobicContact CB-CG 3.89Å; A346-Q374 VanDerWaalsContact CA-NE2 3.3Å; A346-Q374 PolarHBondContact O-NE2 3.31Å; A346-Q374 VanDerWaalsContact O-NE2 3.1Å; A370-Q374 PolarHBondContact O-N 2.91Å; N371-Q374 PolarHBondContact O-N 2.88Å; F372-Q374 PolarHBondContact O-N 3.28Å; Q374-Q378 PolarHBondContact O-N 2.79Å; Q374-Q378 PolarHBondContact O-NE2 3.11Å |
| 375 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 175.6 | -65.5 | 167.7 | 0 | 0 | 0 | 111.4 | S348 N371 F372 K373 Q378 M379 I433 I436 L437 | S348-L375 WeakPolarHBondContact O-CD2 3.23Å; N371-L375 WeakPolarHBondContact O-CG 3.36Å; N371-L375 PolarHBondContact O-N 3Å; N371-L375 VanDerWaalsContact O-N 3.08Å; F372-L375 PolarHBondContact O-N 3.27Å; K373-L375 VanDerWaalsContact C-N 3.33Å; K373-L375 PolarHBondContact O-N 3.16Å; L375-Q378 WeakPolarHBondContact O-CB 3.39Å; L375-Q378 PolarHBondContact O-N 2.91Å; L375-M379 PolarHBondContact O-N 3.03Å; L375-I433 HydrophobicContact CD1-CB 4.41Å; L375-I433 HydrophobicContact CD1-CD1 3.99Å; L375-I433 HydrophobicContact CD1-CG1 3.81Å; L375-I433 HydrophobicContact CD1-CG2 3.83Å; L375-I436 HydrophobicContact CB-CG2 3.95Å; L375-I436 VanDerWaalsContact O-CG2 3.29Å; L375-I436 WeakPolarHBondContact O-CG2 3.43Å; L375-L437 HydrophobicContact CD2-CD2 4.05Å |
| 376 | L | 96.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 178.2 | 179.9 | 58.6 | 0 | 0 | 0 | 112 | F372 K373 Q378 M379 L380 M401 I406 I436 | F372-L376 HydrophobicContact CE1-CB 4.49Å; F372-L376 HydrophobicContact CE1-CD2 3.86Å; F372-L376 HydrophobicContact CZ-CD2 4.25Å; F372-L376 WeakPolarHBondContact O-CB 3.45Å; F372-L376 PolarHBondContact O-N 3.1Å; K373-L376 PolarHBondContact O-N 3.3Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.2Å; L376-M379 HydrophobicContact CD1-CE 3.68Å; L376-M379 WeakPolarHBondContact O-CB 3.47Å; L376-M379 PolarHBondContact O-N 3.45Å; L376-M379 VanDerWaalsContact O-N 3.09Å; L376-L380 HydrophobicContact CD1-CD1 4.44Å; L376-L380 HydrophobicContact CD1-CG 4.24Å; L376-L380 HydrophobicContact CG-CD1 4.04Å; L376-L380 HydrophobicContact CG-CG 4.29Å; L376-L380 WeakPolarHBondContact O-CG 3.32Å; L376-L380 PolarHBondContact O-N 3.4Å; L376-M401 HydrophobicContact CD1-CE 3.94Å; L376-M401 HydrophobicContact CD1-SD 4.39Å; L376-I406 HydrophobicContact CD1-CD1 4.37Å; L376-I406 HydrophobicContact CD1-CG1 4.5Å; L376-I406 HydrophobicContact CD1-CG2 4.45Å; L376-I406 HydrophobicContact CD2-CG2 4.16Å; L376-I436 HydrophobicContact CB-CD1 4.01Å; L376-I436 HydrophobicContact CD1-CD1 4.35Å; L376-I436 HydrophobicContact CD1-CG1 4.43Å |
| 377 | E | 96.4 | Very high | 96 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 22% | 0.224 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 178.1 | -174.1 | 71.3 | 179.4 | 0 | 0 | 111.4 | M34 R35 K373 M379 L380 V381 | M34-E377 HydrophobicContact CB-CG 3.88Å; M34-E377 HydrophobicContact CG-CG 4.24Å; R35-E377 PolarHBondContact N-OE1 3.1Å; K373-E377 WeakPolarHBondContact O-CB 3.29Å; K373-E377 PolarHBondContact O-N 3.22Å; E377-M379 VanDerWaalsContact C-N 3.33Å; E377-M379 PolarHBondContact O-N 2.99Å; E377-L380 PolarHBondContact O-N 3.46Å; E377-V381 WeakPolarHBondContact O-CG2 3.27Å; E377-V381 PolarHBondContact O-N 3.13Å |
| 378 | Q | 96.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 173.9 | -84.6 | 175 | 90.9 | 0 | 0 | 112.6 | M34 A346 N347 S348 Q374 L375 L376 Q382 M440 | M34-Q378 HydrophobicContact CG-CG 4.45Å; M34-Q378 HydrophobicContact SD-CB 4.1Å; M34-Q378 HydrophobicContact SD-CG 3.15Å; M34-Q378 WeakPolarHBondContact SD-CG 3.34Å; A346-Q378 WeakPolarHBondContact O-CG 3.16Å; A346-Q378 PolarHBondContact O-NE2 3.39Å; N347-Q378 PolarHBondContact O-OE1 3.36Å; S348-Q378 PolarHBondContact O-NE2 2.72Å; Q374-Q378 PolarHBondContact O-N 2.79Å; Q374-Q378 PolarHBondContact O-NE2 3.11Å; L375-Q378 WeakPolarHBondContact O-CB 3.39Å; L375-Q378 PolarHBondContact O-N 2.91Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.2Å; Q378-Q382 WeakPolarHBondContact O-CG 3.35Å; Q378-Q382 PolarHBondContact O-N 2.7Å; Q378-Q382 PolarHBondContact O-NE2 3.08Å; Q378-Q382 VanDerWaalsContact O-NE2 3.14Å; Q378-M440 HydrophobicContact CB-CE 3.77Å; Q378-M440 HydrophobicContact CB-CG 4.45Å; Q378-M440 HydrophobicContact CB-SD 3.87Å; Q378-M440 HydrophobicContact CG-CE 4.25Å; Q378-M440 VanDerWaalsContact OE1-CE 3.27Å |
| 379 | M | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 178 | -171.4 | -173.5 | 71.4 | 0 | 0 | 111.4 | L375 L376 E377 Q382 M383 M401 I406 I436 M440 Y443 | L375-M379 PolarHBondContact O-N 3.03Å; L376-M379 HydrophobicContact CD1-CE 3.68Å; L376-M379 WeakPolarHBondContact O-CB 3.47Å; L376-M379 PolarHBondContact O-N 3.45Å; L376-M379 VanDerWaalsContact O-N 3.09Å; E377-M379 VanDerWaalsContact C-N 3.33Å; E377-M379 PolarHBondContact O-N 2.99Å; M379-Q382 PolarHBondContact O-N 3.11Å; M379-M383 VanDerWaalsContact O-CB 3.32Å; M379-M383 WeakPolarHBondContact O-CB 3.32Å; M379-M383 PolarHBondContact O-N 3.19Å; M379-M401 HydrophobicContact CE-CB 4.33Å; M379-M401 HydrophobicContact CE-CG 3.94Å; M379-M401 HydrophobicContact CE-SD 3.62Å; M379-M401 HydrophobicContact SD-SD 4.22Å; M379-I406 HydrophobicContact CE-CD1 3.75Å; M379-I436 HydrophobicContact CB-CG2 4.25Å; M379-M440 HydrophobicContact CB-CG 3.89Å; M379-M440 HydrophobicContact CG-CG 4.44Å; M379-Y443 HydrophobicContact CG-CD2 3.95Å; M379-Y443 HydrophobicContact CG-CE2 3.91Å; M379-Y443 HydrophobicContact SD-CE2 4.43Å |
| 380 | L | 96.2 | Very high | 95.4 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | -179.2 | -71.3 | 176.3 | 0 | 0 | 0 | 112.3 | L376 E377 Q382 M383 E384 I406 | L376-L380 HydrophobicContact CD1-CD1 4.44Å; L376-L380 HydrophobicContact CD1-CG 4.24Å; L376-L380 HydrophobicContact CG-CD1 4.04Å; L376-L380 HydrophobicContact CG-CG 4.29Å; L376-L380 WeakPolarHBondContact O-CG 3.32Å; L376-L380 PolarHBondContact O-N 3.4Å; E377-L380 PolarHBondContact O-N 3.46Å; L380-Q382 VanDerWaalsContact C-N 3.34Å; L380-Q382 PolarHBondContact O-N 3.28Å; L380-M383 WeakPolarHBondContact O-CB 3.35Å; L380-M383 PolarHBondContact O-N 3.33Å; L380-E384 WeakPolarHBondContact O-CB 3.44Å; L380-E384 PolarHBondContact O-N 3.33Å; L380-I406 HydrophobicContact CD2-CD1 3.8Å |
| 381 | V | 96 | Very high | 95 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | V31 M34 E377 R385 | V31-V381 HydrophobicContact CB-CG1 4.38Å; V31-V381 HydrophobicContact CG2-CG1 4.31Å; M34-V381 HydrophobicContact CG-CB 4.19Å; M34-V381 HydrophobicContact CG-CG1 4.47Å; M34-V381 HydrophobicContact CG-CG2 3.8Å; E377-V381 WeakPolarHBondContact O-CG2 3.27Å; E377-V381 PolarHBondContact O-N 3.13Å; V381-R385 WeakPolarHBondContact O-CB 3.36Å; V381-R385 PolarHBondContact O-N 2.98Å |
| 382 | Q | 95.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.2 | -75.5 | 177.3 | 76.7 | 0 | 0 | 112.1 | V31 Q378 M379 L380 E384 R385 K386 M440 | V31-Q382 HydrophobicContact CB-CG 4.41Å; V31-Q382 HydrophobicContact CG1-CG 3.53Å; V31-Q382 HydrophobicContact CG2-CG 4.07Å; Q378-Q382 WeakPolarHBondContact O-CG 3.35Å; Q378-Q382 PolarHBondContact O-N 2.7Å; Q378-Q382 PolarHBondContact O-NE2 3.08Å; Q378-Q382 VanDerWaalsContact O-NE2 3.14Å; M379-Q382 PolarHBondContact O-N 3.11Å; L380-Q382 VanDerWaalsContact C-N 3.34Å; L380-Q382 PolarHBondContact O-N 3.28Å; Q382-E384 PolarHBondContact O-N 3.34Å; Q382-R385 PolarHBondContact O-N 2.81Å; Q382-K386 WeakPolarHBondContact O-CG 3.42Å; Q382-K386 PolarHBondContact O-N 2.9Å; Q382-M440 PolarHBondContact OE1-O 3.25Å |
| 383 | M | 95.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.6 | -49.3 | 176.5 | 176.7 | 178.7 | 167.6 | 0 | 0 | 111.6 | M379 L380 R385 K386 R387 F395 E397 T403 Y443 | M379-M383 VanDerWaalsContact O-CB 3.32Å; M379-M383 WeakPolarHBondContact O-CB 3.32Å; M379-M383 PolarHBondContact O-N 3.19Å; L380-M383 WeakPolarHBondContact O-CB 3.35Å; L380-M383 PolarHBondContact O-N 3.33Å; M383-R385 PolarHBondContact O-N 3.29Å; M383-K386 PolarHBondContact O-N 3.44Å; M383-R387 WeakPolarHBondContact O-CB 3.4Å; M383-R387 PolarHBondContact O-N 3.47Å; M383-F395 HydrophobicContact CE-CE1 4.41Å; M383-F395 HydrophobicContact CE-CZ 4.27Å; M383-F395 HydrophobicContact CG-CZ 4.01Å; M383-E397 HydrophobicContact CE-CG 3.74Å; M383-E397 WeakPolarHBondContact CE-OE1 3.37Å; M383-T403 WeakPolarHBondContact CE-OG1 3.31Å; M383-Y443 HydrophobicContact CB-CD1 4.39Å; M383-Y443 HydrophobicContact CB-CD2 4.08Å; M383-Y443 HydrophobicContact CB-CE1 4.02Å; M383-Y443 HydrophobicContact CB-CE2 3.68Å; M383-Y443 HydrophobicContact CB-CG 4.42Å; M383-Y443 HydrophobicContact CG-CE1 3.95Å; M383-Y443 HydrophobicContact CG-CE2 4.12Å; M383-Y443 WeakPolarHBondContact CG-OH 3.46Å; M383-Y443 HydrophobicContact SD-CE2 4.48Å; M383-Y443 PolarHBondContact SD-OH 2.97Å; M383-Y443 VanDerWaalsContact SD-OH 3.38Å |
| 384 | E | 94.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | -178.9 | -179.3 | 57.3 | -160.3 | 0 | 0 | 111.8 | L380 Q382 K386 R387 R388 | L380-E384 WeakPolarHBondContact O-CB 3.44Å; L380-E384 PolarHBondContact O-N 3.33Å; Q382-E384 PolarHBondContact O-N 3.34Å; E384-K386 VanDerWaalsContact C-N 3.33Å; E384-K386 PolarHBondContact O-N 3.24Å; E384-R387 PolarHBondContact O-N 3.04Å; E384-R388 WeakPolarHBondContact O-CG 3.12Å; E384-R388 PolarHBondContact O-N 3.5Å; E384-R388 IonicContact OE1-CZ 3.99Å; E384-R388 IonicContact OE1-NE 3.83Å; E384-R388 PolarHBondContact OE1-NE 3.31Å; E384-R388 IonicContact OE1-NH2 3.42Å; E384-R388 PolarHBondContact OE1-NH2 3.47Å |
| 385 | R | 93.3 | Very high | 93.7 | Very high | 161 Ų | 161 | 58.5 Ų | 58.5 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 173.3 | -175.1 | 177.6 | 176.1 | -175.2 | -1 | 111.4 | V381 Q382 M383 V389 | V381-R385 WeakPolarHBondContact O-CB 3.36Å; V381-R385 PolarHBondContact O-N 2.98Å; Q382-R385 PolarHBondContact O-N 2.81Å; M383-R385 PolarHBondContact O-N 3.29Å; R385-V389 WeakPolarHBondContact O-CG2 3.45Å; R385-V389 PolarHBondContact O-N 2.86Å |
| 386 | K | 93.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 177.2 | -64.5 | -61.1 | -177.6 | 172.9 | 0 | 112 | Q382 M383 E384 R388 V389 Y390 F395 Y443 Y446 E447 | Q382-K386 WeakPolarHBondContact O-CG 3.42Å; Q382-K386 PolarHBondContact O-N 2.9Å; M383-K386 PolarHBondContact O-N 3.44Å; E384-K386 VanDerWaalsContact C-N 3.33Å; E384-K386 PolarHBondContact O-N 3.24Å; K386-R388 VanDerWaalsContact C-N 3.29Å; K386-R388 PolarHBondContact O-N 3.33Å; K386-V389 PolarHBondContact O-N 3.38Å; K386-Y390 WeakPolarHBondContact O-CD2 3.47Å; K386-Y390 PolarHBondContact O-N 3.22Å; K386-F395 HydrophobicContact CB-CE2 4.1Å; K386-Y443 WeakPolarHBondContact CE-O 3.44Å; K386-Y443 HydrophobicContact CG-CD1 4.47Å; K386-Y446 HydrophobicContact CD-CG 4.5Å; K386-E447 IonicContact NZ-OE1 3.61Å; K386-E447 PolarHBondContact NZ-OE1 2.94Å; K386-E447 IonicContact NZ-OE2 3.75Å; K386-E447 PolarHBondContact NZ-OE2 2.66Å |
| 387 | R | 94 | Very high | 93.5 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 176.1 | 177.4 | 175 | -88 | 164.6 | -5.8 | 112.9 | M383 E384 F395 E397 | M383-R387 WeakPolarHBondContact O-CB 3.4Å; M383-R387 PolarHBondContact O-N 3.47Å; E384-R387 PolarHBondContact O-N 3.04Å; R387-F395 HydrophobicContact CB-CD1 4.47Å; R387-F395 HydrophobicContact CB-CD2 4.11Å; R387-F395 HydrophobicContact CB-CE1 4.19Å; R387-F395 HydrophobicContact CB-CE2 3.81Å; R387-F395 HydrophobicContact CB-CG 4.43Å; R387-F395 HydrophobicContact CB-CZ 3.85Å; R387-F395 HydrophobicContact CG-CD1 4.45Å; R387-F395 HydrophobicContact CG-CE1 4.39Å; R387-E397 IonicContact CZ-OE1 3.1Å; R387-E397 IonicContact NH2-OE1 3.81Å; R387-E397 PolarHBondContact NH2-OE1 3.04Å |
| 388 | R | 92.4 | Very high | 93.6 | Very high | 189 Ų | 189 | 66.5 Ų | 66.5 | 71% | 0.713 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -73.8 | -31.4 | 178.1 | -70.8 | 178.2 | -170.4 | -177.5 | 3.7 | 114 | E384 K386 | E384-R388 WeakPolarHBondContact O-CG 3.12Å; E384-R388 PolarHBondContact O-N 3.5Å; E384-R388 IonicContact OE1-CZ 3.99Å; E384-R388 IonicContact OE1-NE 3.83Å; E384-R388 PolarHBondContact OE1-NE 3.31Å; E384-R388 IonicContact OE1-NH2 3.42Å; E384-R388 PolarHBondContact OE1-NH2 3.47Å; K386-R388 VanDerWaalsContact C-N 3.29Å; K386-R388 PolarHBondContact O-N 3.33Å |
| 389 | V | 91.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -78.7 | -42.5 | -178.8 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | R385 K386 N501 | R385-V389 WeakPolarHBondContact O-CG2 3.45Å; R385-V389 PolarHBondContact O-N 2.86Å; K386-V389 PolarHBondContact O-N 3.38Å; V389-N501 WeakPolarHBondContact CG1-O 3.21Å; V389-N501 CarbonylContact O-C 3.58Å; V389-N501 WeakPolarHBondContact O-CA 3.28Å |
| 390 | Y | 92.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 74.1 Ų | 74.1 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -83.4 | 140.6 | -175.7 | -84.1 | -94.2 | 0 | 0 | 0 | 113.1 | K386 F394 Y446 E447 N501 F503 | K386-Y390 WeakPolarHBondContact O-CD2 3.47Å; K386-Y390 PolarHBondContact O-N 3.22Å; Y390-F394 HydrophobicContact CD1-CB 3.99Å; Y390-Y446 HydrophobicContact CD1-CE1 4.11Å; Y390-Y446 HydrophobicContact CD2-CD1 4.19Å; Y390-Y446 AromaticContact CD2-CE1 3.8Å; Y390-Y446 HydrophobicContact CD2-CE1 3.8Å; Y390-Y446 HydrophobicContact CE1-CD1 4.41Å; Y390-Y446 AromaticContact CE1-CE1 3.81Å; Y390-Y446 HydrophobicContact CE1-CE1 3.81Å; Y390-Y446 AromaticContact CE2-CD1 3.51Å; Y390-Y446 HydrophobicContact CE2-CD1 3.51Å; Y390-Y446 AromaticContact CE2-CE1 3.48Å; Y390-Y446 HydrophobicContact CE2-CE1 3.48Å; Y390-Y446 VanDerWaalsContact CE2-CE1 3.48Å; Y390-Y446 HydrophobicContact CG-CE1 4.1Å; Y390-Y446 AromaticContact CZ-CD1 3.64Å; Y390-Y446 AromaticContact CZ-CE1 3.47Å; Y390-Y446 VanDerWaalsContact CZ-CE1 3.47Å; Y390-E447 WeakPolarHBondContact CE2-OE1 3.39Å; Y390-E447 VanDerWaalsContact OH-CG 3.22Å; Y390-E447 WeakPolarHBondContact OH-CG 3.41Å; Y390-E447 PolarHBondContact OH-OE1 3.1Å; Y390-N501 HydrophobicContact CD1-CB 4.48Å; Y390-N501 WeakPolarHBondContact CD1-OD1 3.28Å; Y390-F503 HydrophobicContact CE1-CE1 4.09Å; Y390-F503 HydrophobicContact CE1-CZ 4.26Å; Y390-F503 HydrophobicContact CE2-CE1 4.32Å; Y390-F503 AromaticContact CZ-CE1 3.72Å; Y390-F503 WeakPolarHBondContact OH-CE1 3.24Å |
| 391 | W | 89.3 | Confident | 93.3 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | trans | -63.7 | 140.2 | 166.4 | -172.4 | 25.7 | 0 | 0 | 0 | 109.9 | I393 F394 F395 N501 | W391-I393 HydrophobicContact CD2-CD1 4.43Å; W391-I393 HydrophobicContact CH2-CD1 3.93Å; W391-I393 HydrophobicContact CZ2-CD1 3.74Å; W391-I393 HydrophobicContact CZ3-CD1 4.35Å; W391-I393 PolarHBondContact O-N 3.42Å; W391-F394 HydrophobicContact CB-CD2 4.24Å; W391-F394 HydrophobicContact CE3-CD2 4.16Å; W391-F394 AromaticContact CE3-CE2 3.76Å; W391-F394 HydrophobicContact CE3-CE2 3.76Å; W391-F394 HydrophobicContact CZ3-CE2 4.3Å; W391-F394 PolarHBondContact O-N 3.48Å; W391-F395 PolarHBondContact O-N 3.46Å; W391-N501 PolarHBondContact N-OD1 2.88Å | ||
| 392 | S | 87.9 | Confident | 93.3 | Very high | 96 Ų | 96 | 71.4 Ų | 71.4 | 67% | 0.671 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28 | -169.1 | 57.1 | 0 | 0 | 0 | 0 | 115 | ||
| 393 | I | 89.5 | Confident | 93.2 | Very high | 100 Ų | 100 | 73.6 Ų | 73.6 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -31.2 | 178.5 | -57.3 | 176.6 | 0 | 0 | 0 | 112 | W391 | W391-I393 HydrophobicContact CD2-CD1 4.43Å; W391-I393 HydrophobicContact CH2-CD1 3.93Å; W391-I393 HydrophobicContact CZ2-CD1 3.74Å; W391-I393 HydrophobicContact CZ3-CD1 4.35Å; W391-I393 PolarHBondContact O-N 3.42Å |
| 394 | F | 90.1 | Very high | 93.2 | Very high | 91 Ų | 91 | 80.5 Ų | 80.5 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -16.2 | -176.7 | -64.1 | -60.2 | 0 | 0 | 0 | 113.5 | Y390 W391 Y446 L497 | Y390-F394 HydrophobicContact CD1-CB 3.99Å; W391-F394 HydrophobicContact CB-CD2 4.24Å; W391-F394 HydrophobicContact CE3-CD2 4.16Å; W391-F394 AromaticContact CE3-CE2 3.76Å; W391-F394 HydrophobicContact CE3-CE2 3.76Å; W391-F394 HydrophobicContact CZ3-CE2 4.3Å; W391-F394 PolarHBondContact O-N 3.48Å; F394-Y446 PolarHBondContact O-OH 2.71Å; F394-L497 HydrophobicContact CE2-CD2 3.98Å; F394-L497 HydrophobicContact CZ-CD2 4.1Å |
| 395 | F | 94 | Very high | 93.2 | Very high | 22 Ų | 22 | 81.4 Ų | 81.4 | 10% | 0.096 | 38% | 0.377 | C | S | . | . | trans | -71 | 131.6 | 176.2 | -179.8 | -102.1 | 0 | 0 | 0 | 111.7 | M383 K386 R387 W391 E397 Y443 Y446 | M383-F395 HydrophobicContact CE-CE1 4.41Å; M383-F395 HydrophobicContact CE-CZ 4.27Å; M383-F395 HydrophobicContact CG-CZ 4.01Å; K386-F395 HydrophobicContact CB-CE2 4.1Å; R387-F395 HydrophobicContact CB-CD1 4.47Å; R387-F395 HydrophobicContact CB-CD2 4.11Å; R387-F395 HydrophobicContact CB-CE1 4.19Å; R387-F395 HydrophobicContact CB-CE2 3.81Å; R387-F395 HydrophobicContact CB-CG 4.43Å; R387-F395 HydrophobicContact CB-CZ 3.85Å; R387-F395 HydrophobicContact CG-CD1 4.45Å; R387-F395 HydrophobicContact CG-CE1 4.39Å; W391-F395 PolarHBondContact O-N 3.46Å; F395-E397 HydrophobicContact CE1-CG 3.78Å; F395-E397 HydrophobicContact CZ-CG 4.37Å; F395-Y443 HydrophobicContact CE2-CE1 4.45Å; F395-Y443 HydrophobicContact CZ-CE1 4.42Å; F395-Y446 WeakPolarHBondContact CA-OH 3.35Å | ||
| 396 | R | 94.5 | Very high | 93.3 | Very high | 163 Ų | 163 | 74.4 Ų | 74.4 | 62% | 0.615 | 35% | 0.352 | S | S | * | . | trans | -129.3 | 128 | 177.6 | -62 | -63.2 | -179.6 | -175.2 | -2.6 | 109.4 | Y442 Y446 | R396-Y442 PolarHBondContact O-OH 2.97Å; R396-Y446 PolarHBondContact N-OH 2.69Å | ||
| 397 | E | 95.6 | Very high | 93.4 | Very high | 52 Ų | 52 | 76.1 Ų | 76.1 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | trans | -73 | 155.2 | 172.9 | -61.5 | -167.9 | 175.3 | 0 | 0 | 110.8 | M383 R387 F395 P399 T402 T403 | M383-E397 HydrophobicContact CE-CG 3.74Å; M383-E397 WeakPolarHBondContact CE-OE1 3.37Å; R387-E397 IonicContact CZ-OE1 3.1Å; R387-E397 IonicContact NH2-OE1 3.81Å; R387-E397 PolarHBondContact NH2-OE1 3.04Å; F395-E397 HydrophobicContact CE1-CG 3.78Å; F395-E397 HydrophobicContact CZ-CG 4.37Å; E397-P399 VanDerWaalsContact O-CD 3.28Å; E397-P399 WeakPolarHBondContact O-CD 3.47Å; E397-T402 VanDerWaalsContact OE2-CA 3.27Å; E397-T402 WeakPolarHBondContact OE2-CA 3.39Å; E397-T402 VanDerWaalsContact OE2-CB 3.29Å; E397-T402 WeakPolarHBondContact OE2-CB 3.49Å; E397-T403 PolarHBondContact OE1-OG1 3.15Å; E397-T403 PolarHBondContact OE2-N 3Å; E397-T403 PolarHBondContact OE2-OG1 2.88Å | ||
| 398 | F | 96.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 75.2 Ų | 75.2 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | trans | -60.5 | 116.6 | 170.7 | 179.4 | -130.5 | 0 | 0 | 0 | 110.2 | D400 M401 T402 T435 Q438 G439 Y442 Y443 | F398-D400 VanDerWaalsContact C-N 3.28Å; F398-D400 HydrophobicContact CD1-CB 4.38Å; F398-D400 HydrophobicContact CE1-CB 3.69Å; F398-D400 HydrophobicContact CE2-CB 4.34Å; F398-D400 HydrophobicContact CZ-CB 3.66Å; F398-D400 PolarHBondContact O-N 3Å; F398-M401 HydrophobicContact CD1-CB 3.82Å; F398-M401 HydrophobicContact CE1-CB 4.21Å; F398-M401 CarbonylContact O-C 3.58Å; F398-M401 VanDerWaalsContact O-C 3.32Å; F398-M401 PolarHBondContact O-N 3.47Å; F398-M401 VanDerWaalsContact O-N 3.13Å; F398-T402 PolarHBondContact O-N 3.13Å; F398-T435 HydrophobicContact CE1-CG2 3.87Å; F398-T435 WeakPolarHBondContact CE1-O 3.46Å; F398-Q438 HydrophobicContact CZ-CB 4Å; F398-G439 VanDerWaalsContact CD1-CA 3.5Å; F398-Y442 HydrophobicContact CB-CD1 3.84Å; F398-Y442 HydrophobicContact CB-CE1 4.26Å; F398-Y442 HydrophobicContact CB-CG 4.33Å; F398-Y442 HydrophobicContact CD2-CD1 4.16Å; F398-Y442 HydrophobicContact CD2-CD2 4.13Å; F398-Y442 AromaticContact CD2-CG 3.77Å; F398-Y442 HydrophobicContact CD2-CG 3.77Å; F398-Y442 HydrophobicContact CG-CD1 4.39Å; F398-Y442 HydrophobicContact CG-CG 4.39Å; F398-Y443 HydrophobicContact CB-CE2 4.02Å; F398-Y443 PolarHBondContact N-OH 3.39Å | ||
| 399 | P | 94.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.9 | -169.6 | -27.4 | 35.8 | 0 | 0 | 0 | 114.7 | E397 M401 K405 | E397-P399 VanDerWaalsContact O-CD 3.28Å; E397-P399 WeakPolarHBondContact O-CD 3.47Å; P399-M401 VanDerWaalsContact C-N 3.34Å; P399-K405 PolarHBondContact O-NZ 2.94Å |
| 400 | D | 95.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -21.9 | -176.3 | -60.7 | -36.8 | 0 | 0 | 0 | 112.3 | F398 K405 T435 | F398-D400 VanDerWaalsContact C-N 3.28Å; F398-D400 HydrophobicContact CD1-CB 4.38Å; F398-D400 HydrophobicContact CE1-CB 3.69Å; F398-D400 HydrophobicContact CE2-CB 4.34Å; F398-D400 HydrophobicContact CZ-CB 3.66Å; F398-D400 PolarHBondContact O-N 3Å; D400-K405 WeakPolarHBondContact O-CD 3.07Å; D400-K405 PolarHBondContact O-NZ 3.4Å; D400-T435 HydrophobicContact CB-CG2 3.91Å |
| 401 | M | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -141.9 | 73.8 | -178.5 | -160.3 | 169.7 | -161 | 0 | 0 | 112.3 | F372 L376 M379 F398 P399 I406 L409 W432 T435 I436 | F372-M401 HydrophobicContact CZ-CE 4.34Å; L376-M401 HydrophobicContact CD1-CE 3.94Å; L376-M401 HydrophobicContact CD1-SD 4.39Å; M379-M401 HydrophobicContact CE-CB 4.33Å; M379-M401 HydrophobicContact CE-CG 3.94Å; M379-M401 HydrophobicContact CE-SD 3.62Å; M379-M401 HydrophobicContact SD-SD 4.22Å; F398-M401 HydrophobicContact CD1-CB 3.82Å; F398-M401 HydrophobicContact CE1-CB 4.21Å; F398-M401 CarbonylContact O-C 3.58Å; F398-M401 VanDerWaalsContact O-C 3.32Å; F398-M401 PolarHBondContact O-N 3.47Å; F398-M401 VanDerWaalsContact O-N 3.13Å; P399-M401 VanDerWaalsContact C-N 3.34Å; M401-I406 HydrophobicContact CE-CG1 4.1Å; M401-I406 HydrophobicContact CG-CD1 4.17Å; M401-I406 HydrophobicContact CG-CG1 3.65Å; M401-I406 HydrophobicContact SD-CG1 4.45Å; M401-L409 HydrophobicContact CE-CD2 3.74Å; M401-W432 HydrophobicContact CE-CE3 4.24Å; M401-W432 HydrophobicContact SD-CE3 4.43Å; M401-T435 HydrophobicContact CB-CG2 4.3Å; M401-I436 HydrophobicContact CE-CD1 4.14Å; M401-I436 HydrophobicContact CE-CG1 3.81Å; M401-I436 HydrophobicContact SD-CG1 3.55Å; M401-I436 VanDerWaalsContact SD-CG1 3.55Å |
| 402 | T | 94.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | trans | -74 | 163.8 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | E397 F398 Q404 K405 I406 | E397-T402 VanDerWaalsContact OE2-CA 3.27Å; E397-T402 WeakPolarHBondContact OE2-CA 3.39Å; E397-T402 VanDerWaalsContact OE2-CB 3.29Å; E397-T402 WeakPolarHBondContact OE2-CB 3.49Å; F398-T402 PolarHBondContact O-N 3.13Å; T402-Q404 PolarHBondContact O-N 3.43Å; T402-Q404 VanDerWaalsContact O-N 3.15Å; T402-K405 PolarHBondContact O-N 3.44Å; T402-K405 PolarHBondContact OG1-N 3.21Å; T402-I406 WeakPolarHBondContact O-CG1 3.31Å; T402-I406 PolarHBondContact O-N 3.42Å | ||
| 403 | T | 94.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.3 | -39.2 | 177.1 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | M383 E397 I406 T407 | M383-T403 WeakPolarHBondContact CE-OG1 3.31Å; E397-T403 PolarHBondContact OE1-OG1 3.15Å; E397-T403 PolarHBondContact OE2-N 3Å; E397-T403 PolarHBondContact OE2-OG1 2.88Å; T403-I406 PolarHBondContact O-N 3.5Å; T403-T407 PolarHBondContact O-N 3.09Å; T403-T407 VanDerWaalsContact O-N 3.1Å; T403-T407 PolarHBondContact O-OG1 3.06Å |
| 404 | Q | 94.8 | Very high | 94.9 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.4 | -46.2 | 176.9 | -172.6 | -178.2 | 8.9 | 0 | 0 | 111.8 | T402 I406 T407 T408 | T402-Q404 PolarHBondContact O-N 3.43Å; T402-Q404 VanDerWaalsContact O-N 3.15Å; Q404-I406 VanDerWaalsContact C-N 3.3Å; Q404-I406 PolarHBondContact O-N 2.85Å; Q404-T407 PolarHBondContact O-N 3.05Å; Q404-T408 PolarHBondContact O-N 2.87Å; Q404-T408 PolarHBondContact O-OG1 3.35Å; Q404-T408 VanDerWaalsContact O-OG1 3.13Å |
| 405 | K | 94.9 | Very high | 95.1 | Very high | 86 Ų | 86 | 59 Ų | 59 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.5 | -72.9 | 177.3 | 176.6 | 174.6 | 0 | 111.6 | P399 D400 T402 T407 T408 L409 | P399-K405 PolarHBondContact O-NZ 2.94Å; D400-K405 WeakPolarHBondContact O-CD 3.07Å; D400-K405 PolarHBondContact O-NZ 3.4Å; T402-K405 PolarHBondContact O-N 3.44Å; T402-K405 PolarHBondContact OG1-N 3.21Å; K405-T407 VanDerWaalsContact C-N 3.32Å; K405-T407 PolarHBondContact O-N 2.9Å; K405-T408 PolarHBondContact O-N 3.22Å; K405-L409 VanDerWaalsContact O-CB 3.27Å; K405-L409 WeakPolarHBondContact O-CB 3.49Å; K405-L409 PolarHBondContact O-N 2.83Å |
| 406 | I | 95.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.7 | -64.4 | 169.6 | 0 | 0 | 0 | 110.9 | L376 M379 L380 M401 T402 T403 Q404 L409 S410 | L376-I406 HydrophobicContact CD1-CD1 4.37Å; L376-I406 HydrophobicContact CD1-CG1 4.5Å; L376-I406 HydrophobicContact CD1-CG2 4.45Å; L376-I406 HydrophobicContact CD2-CG2 4.16Å; M379-I406 HydrophobicContact CE-CD1 3.75Å; L380-I406 HydrophobicContact CD2-CD1 3.8Å; M401-I406 HydrophobicContact CE-CG1 4.1Å; M401-I406 HydrophobicContact CG-CD1 4.17Å; M401-I406 HydrophobicContact CG-CG1 3.65Å; M401-I406 HydrophobicContact SD-CG1 4.45Å; T402-I406 WeakPolarHBondContact O-CG1 3.31Å; T402-I406 PolarHBondContact O-N 3.42Å; T403-I406 PolarHBondContact O-N 3.5Å; Q404-I406 VanDerWaalsContact C-N 3.3Å; Q404-I406 PolarHBondContact O-N 2.85Å; I406-L409 PolarHBondContact O-N 3.05Å; I406-S410 WeakPolarHBondContact O-CB 3.38Å; I406-S410 PolarHBondContact O-N 3.36Å; I406-S410 PolarHBondContact O-OG 3.03Å |
| 407 | T | 95.8 | Very high | 95 | Very high | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -51 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | T403 Q404 K405 L409 S410 D411 | T403-T407 PolarHBondContact O-N 3.09Å; T403-T407 VanDerWaalsContact O-N 3.1Å; T403-T407 PolarHBondContact O-OG1 3.06Å; Q404-T407 PolarHBondContact O-N 3.05Å; K405-T407 VanDerWaalsContact C-N 3.32Å; K405-T407 PolarHBondContact O-N 2.9Å; T407-L409 VanDerWaalsContact C-N 3.3Å; T407-L409 PolarHBondContact O-N 3.36Å; T407-S410 WeakPolarHBondContact O-CB 3.1Å; T407-S410 PolarHBondContact O-N 3.41Å; T407-S410 VanDerWaalsContact O-N 3.08Å; T407-D411 PolarHBondContact O-N 3.27Å |
| 408 | T | 96.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 176.8 | -55 | 0 | 0 | 0 | 0 | 112.7 | Q404 K405 D411 T412 | Q404-T408 PolarHBondContact O-N 2.87Å; Q404-T408 PolarHBondContact O-OG1 3.35Å; Q404-T408 VanDerWaalsContact O-OG1 3.13Å; K405-T408 PolarHBondContact O-N 3.22Å; T408-D411 PolarHBondContact O-N 3.26Å; T408-T412 WeakPolarHBondContact O-CB 3.35Å; T408-T412 PolarHBondContact O-N 2.67Å; T408-T412 PolarHBondContact O-OG1 3.24Å |
| 409 | L | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.7 | -179.7 | 58.1 | 0 | 0 | 0 | 111.1 | F372 M401 K405 I406 T407 D411 T412 L413 I428 W432 | F372-L409 HydrophobicContact CE2-CD2 4.16Å; F372-L409 HydrophobicContact CZ-CD2 3.56Å; F372-L409 HydrophobicContact CZ-CG 4.34Å; M401-L409 HydrophobicContact CE-CD2 3.74Å; K405-L409 VanDerWaalsContact O-CB 3.27Å; K405-L409 WeakPolarHBondContact O-CB 3.49Å; K405-L409 PolarHBondContact O-N 2.83Å; I406-L409 PolarHBondContact O-N 3.05Å; T407-L409 VanDerWaalsContact C-N 3.3Å; T407-L409 PolarHBondContact O-N 3.36Å; L409-D411 PolarHBondContact O-N 2.91Å; L409-T412 PolarHBondContact O-N 3.21Å; L409-L413 HydrophobicContact CD1-CD1 4.34Å; L409-L413 HydrophobicContact CD1-CG 4.32Å; L409-L413 HydrophobicContact CG-CD1 4.17Å; L409-L413 VanDerWaalsContact O-CG 3.28Å; L409-L413 WeakPolarHBondContact O-CG 3.32Å; L409-L413 PolarHBondContact O-N 3.06Å; L409-I428 HydrophobicContact CD1-CG2 3.74Å; L409-W432 HydrophobicContact CD1-CG 4.45Å; L409-W432 HydrophobicContact CD2-CB 4.28Å; L409-W432 HydrophobicContact CD2-CD2 3.92Å; L409-W432 HydrophobicContact CD2-CE3 4.45Å; L409-W432 HydrophobicContact CD2-CG 3.83Å |
| 410 | S | 95 | Very high | 94.8 | Very high | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | I406 T407 L413 G414 | I406-S410 WeakPolarHBondContact O-CB 3.38Å; I406-S410 PolarHBondContact O-N 3.36Å; I406-S410 PolarHBondContact O-OG 3.03Å; T407-S410 WeakPolarHBondContact O-CB 3.1Å; T407-S410 PolarHBondContact O-N 3.41Å; T407-S410 VanDerWaalsContact O-N 3.08Å; S410-L413 PolarHBondContact O-N 2.99Å; S410-G414 PolarHBondContact O-N 3.07Å |
| 411 | D | 95.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 69.2 Ų | 69.2 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 175.7 | -65.7 | -27 | 0 | 0 | 0 | 111.8 | T407 T408 L409 G414 S415 | T407-D411 PolarHBondContact O-N 3.27Å; T408-D411 PolarHBondContact O-N 3.26Å; L409-D411 PolarHBondContact O-N 2.91Å; D411-G414 PolarHBondContact O-N 3.49Å; D411-S415 WeakPolarHBondContact O-CB 3.48Å; D411-S415 PolarHBondContact O-N 3.08Å |
| 412 | T | 95.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 71.5 Ų | 71.5 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | T408 L409 S415 F416 I428 | T408-T412 WeakPolarHBondContact O-CB 3.35Å; T408-T412 PolarHBondContact O-N 2.67Å; T408-T412 PolarHBondContact O-OG1 3.24Å; L409-T412 PolarHBondContact O-N 3.21Å; T412-S415 WeakPolarHBondContact O-CB 3.32Å; T412-S415 PolarHBondContact O-N 3.25Å; T412-F416 HydrophobicContact CG2-CE1 4.4Å; T412-F416 HydrophobicContact CG2-CZ 4.32Å; T412-F416 PolarHBondContact O-N 3.3Å; T412-I428 HydrophobicContact CG2-CD1 4.4Å |
| 413 | L | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.6 | -68.7 | 170.8 | 0 | 0 | 0 | 111.5 | L369 F372 L409 S410 F416 L417 M425 I428 | L369-L413 HydrophobicContact CD1-CB 4.48Å; L369-L413 HydrophobicContact CD1-CD1 3.89Å; F372-L413 HydrophobicContact CD1-CD1 4.31Å; F372-L413 HydrophobicContact CE1-CD1 3.92Å; F372-L413 HydrophobicContact CZ-CD1 4.43Å; L409-L413 HydrophobicContact CD1-CD1 4.34Å; L409-L413 HydrophobicContact CD1-CG 4.32Å; L409-L413 HydrophobicContact CG-CD1 4.17Å; L409-L413 VanDerWaalsContact O-CG 3.28Å; L409-L413 WeakPolarHBondContact O-CG 3.32Å; L409-L413 PolarHBondContact O-N 3.06Å; S410-L413 PolarHBondContact O-N 2.99Å; L413-F416 PolarHBondContact O-N 2.98Å; L413-L417 PolarHBondContact O-N 3.48Å; L413-M425 HydrophobicContact CD2-CG 3.84Å; L413-I428 HydrophobicContact CD2-CG2 4.13Å |
| 414 | G | 93.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | S410 D411 L417 S418 | S410-G414 PolarHBondContact O-N 3.07Å; D411-G414 PolarHBondContact O-N 3.49Å; G414-L417 PolarHBondContact O-N 2.9Å; G414-S418 PolarHBondContact O-N 3.26Å |
| 415 | S | 94.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | D411 T412 S418 K419 | D411-S415 WeakPolarHBondContact O-CB 3.48Å; D411-S415 PolarHBondContact O-N 3.08Å; T412-S415 WeakPolarHBondContact O-CB 3.32Å; T412-S415 PolarHBondContact O-N 3.25Å; S415-S418 PolarHBondContact O-OG 2.78Å; S415-K419 VanDerWaalsContact O-CB 3.32Å; S415-K419 WeakPolarHBondContact O-CB 3.45Å; S415-K419 VanDerWaalsContact O-CG 3.28Å; S415-K419 WeakPolarHBondContact O-CG 3.42Å; S415-K419 PolarHBondContact O-N 3.25Å |
| 416 | F | 95 | Very high | 94.9 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 175.8 | -78.2 | 3.7 | 0 | 0 | 0 | 112.7 | T412 L413 K419 K420 R421 A424 M425 I428 | T412-F416 HydrophobicContact CG2-CE1 4.4Å; T412-F416 HydrophobicContact CG2-CZ 4.32Å; T412-F416 PolarHBondContact O-N 3.3Å; L413-F416 PolarHBondContact O-N 2.98Å; F416-K419 CarbonylContact O-C 3.56Å; F416-K419 PolarHBondContact O-N 3.46Å; F416-K420 PolarHBondContact O-N 3.26Å; F416-K420 VanDerWaalsContact O-N 3.08Å; F416-R421 HydrophobicContact CB-CB 4.33Å; F416-R421 HydrophobicContact CG-CB 4.36Å; F416-R421 PolarHBondContact O-N 3.37Å; F416-A424 HydrophobicContact CD2-CB 4.16Å; F416-A424 HydrophobicContact CE2-CB 3.79Å; F416-A424 HydrophobicContact CZ-CB 4.41Å; F416-M425 HydrophobicContact CB-CB 4.17Å; F416-M425 HydrophobicContact CB-CG 4.46Å; F416-M425 HydrophobicContact CD2-CB 4.29Å; F416-I428 HydrophobicContact CD2-CD1 4.17Å; F416-I428 HydrophobicContact CE2-CD1 3.27Å; F416-I428 HydrophobicContact CE2-CG1 4.08Å; F416-I428 HydrophobicContact CZ-CD1 3.85Å |
| 417 | L | 91.2 | Very high | 95 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.7 | -174.2 | 62.4 | 0 | 0 | 0 | 111.4 | L366 L413 G414 K420 Y422 M425 | L366-L417 HydrophobicContact CD2-CD1 4.01Å; L413-L417 PolarHBondContact O-N 3.48Å; G414-L417 PolarHBondContact O-N 2.9Å; L417-K420 PolarHBondContact O-N 2.95Å; L417-Y422 HydrophobicContact CD1-CE1 4.24Å; L417-M425 HydrophobicContact CB-SD 4.21Å; L417-M425 HydrophobicContact CD1-CE 4.46Å; L417-M425 HydrophobicContact CD1-SD 4.35Å |
| 418 | S | 93.5 | Very high | 95 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 178 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | G414 S415 K420 | G414-S418 PolarHBondContact O-N 3.26Å; S415-S418 PolarHBondContact O-OG 2.78Å; S418-K420 PolarHBondContact O-N 3.03Å |
| 419 | K | 95.5 | Very high | 95 | Very high | 138 Ų | 138 | 60 Ų | 60 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.9 | 175.6 | -65.6 | 176.3 | -177.4 | 178 | 0 | 114.1 | S415 F416 R421 | S415-K419 VanDerWaalsContact O-CB 3.32Å; S415-K419 WeakPolarHBondContact O-CB 3.45Å; S415-K419 VanDerWaalsContact O-CG 3.28Å; S415-K419 WeakPolarHBondContact O-CG 3.42Å; S415-K419 PolarHBondContact O-N 3.25Å; F416-K419 CarbonylContact O-C 3.56Å; F416-K419 PolarHBondContact O-N 3.46Å; K419-R421 HydrophobicContact CB-CG 4.3Å; K419-R421 PolarHBondContact O-N 2.9Å; K419-R421 VanDerWaalsContact O-N 3.16Å |
| 420 | K | 93.8 | Very high | 95 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.3 | -179.2 | -56.8 | -179.9 | 179.9 | 175.9 | 0 | 114.2 | F416 L417 S418 Y422 | F416-K420 PolarHBondContact O-N 3.26Å; F416-K420 VanDerWaalsContact O-N 3.08Å; L417-K420 PolarHBondContact O-N 2.95Å; S418-K420 PolarHBondContact O-N 3.03Å; K420-Y422 VanDerWaalsContact C-N 3.28Å; K420-Y422 HydrophobicContact CB-CE2 3.95Å; K420-Y422 WeakPolarHBondContact O-CD2 3.2Å; K420-Y422 PolarHBondContact O-N 3.4Å |
| 421 | R | 95 | Very high | 95.1 | Very high | 149 Ų | 149 | 68.3 Ų | 68.3 | 56% | 0.562 | 36% | 0.359 | S | S | * | . | trans | -84.7 | 65 | 177.9 | -74.4 | -173.2 | 153.8 | -165 | -5.6 | 111.3 | F416 K419 A424 M425 | F416-R421 HydrophobicContact CB-CB 4.33Å; F416-R421 HydrophobicContact CG-CB 4.36Å; F416-R421 PolarHBondContact O-N 3.37Å; K419-R421 HydrophobicContact CB-CG 4.3Å; K419-R421 PolarHBondContact O-N 2.9Å; K419-R421 VanDerWaalsContact O-N 3.16Å; R421-A424 HydrophobicContact CB-CB 4.4Å; R421-M425 WeakPolarHBondContact O-CB 3.49Å; R421-M425 PolarHBondContact O-N 2.85Å | ||
| 422 | Y | 95.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | -169.7 | -58.3 | -58.3 | 0 | 0 | 0 | 114.6 | R362 A365 L417 K420 M425 A426 | R362-Y422 HydrophobicContact CB-CD1 4.26Å; R362-Y422 HydrophobicContact CB-CD2 4.04Å; R362-Y422 HydrophobicContact CB-CE1 4.08Å; R362-Y422 HydrophobicContact CB-CE2 3.84Å; R362-Y422 HydrophobicContact CB-CG 4.24Å; R362-Y422 HydrophobicContact CG-CD1 4.24Å; R362-Y422 HydrophobicContact CG-CE1 3.7Å; R362-Y422 HydrophobicContact CG-CE2 4.18Å; A365-Y422 HydrophobicContact CB-CD1 4.25Å; A365-Y422 HydrophobicContact CB-CG 4.46Å; A365-Y422 WeakPolarHBondContact CB-O 3.45Å; L417-Y422 HydrophobicContact CD1-CE1 4.24Å; K420-Y422 VanDerWaalsContact C-N 3.28Å; K420-Y422 HydrophobicContact CB-CE2 3.95Å; K420-Y422 WeakPolarHBondContact O-CD2 3.2Å; K420-Y422 PolarHBondContact O-N 3.4Å; Y422-M425 PolarHBondContact O-N 3.28Å; Y422-A426 PolarHBondContact O-N 3.38Å |
| 423 | S | 94.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.7 | -54 | 177.7 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | M425 A426 D427 | S423-M425 PolarHBondContact O-N 3.08Å; S423-A426 PolarHBondContact O-N 2.93Å; S423-D427 VanDerWaalsContact O-CG 3.26Å; S423-D427 PolarHBondContact O-N 3.12Å |
| 424 | A | 94.7 | Very high | 95.3 | Very high | 28 Ų | 28 | 67 Ų | 67 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F416 R421 I428 | F416-A424 HydrophobicContact CD2-CB 4.16Å; F416-A424 HydrophobicContact CE2-CB 3.79Å; F416-A424 HydrophobicContact CZ-CB 4.41Å; R421-A424 HydrophobicContact CB-CB 4.4Å; A424-I428 WeakPolarHBondContact O-CB 3.44Å; A424-I428 WeakPolarHBondContact O-CG1 2.96Å; A424-I428 PolarHBondContact O-N 3.29Å |
| 425 | M | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.6 | -169.7 | 179.9 | 75.3 | 0 | 0 | 112.1 | A365 L369 L413 F416 L417 R421 Y422 S423 D427 C429 | A365-M425 HydrophobicContact CB-CE 3.3Å; A365-M425 VanDerWaalsContact O-CE 3.22Å; A365-M425 WeakPolarHBondContact O-CE 3.45Å; L369-M425 HydrophobicContact CB-CE 4.19Å; L369-M425 HydrophobicContact CD2-CE 4.26Å; L369-M425 HydrophobicContact CD2-SD 4.13Å; L413-M425 HydrophobicContact CD2-CG 3.84Å; F416-M425 HydrophobicContact CB-CB 4.17Å; F416-M425 HydrophobicContact CB-CG 4.46Å; F416-M425 HydrophobicContact CD2-CB 4.29Å; L417-M425 HydrophobicContact CB-SD 4.21Å; L417-M425 HydrophobicContact CD1-CE 4.46Å; L417-M425 HydrophobicContact CD1-SD 4.35Å; R421-M425 WeakPolarHBondContact O-CB 3.49Å; R421-M425 PolarHBondContact O-N 2.85Å; Y422-M425 PolarHBondContact O-N 3.28Å; S423-M425 PolarHBondContact O-N 3.08Å; M425-D427 VanDerWaalsContact C-N 3.35Å; M425-C429 PolarHBondContact O-N 2.85Å; M425-C429 VanDerWaalsContact O-N 3.08Å; M425-C429 PolarHBondContact O-SG 3.46Å |
| 426 | A | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L354 A365 M368 Y422 S423 C429 K430 | L354-A426 HydrophobicContact CD1-CB 4.24Å; A365-A426 HydrophobicContact CB-CB 4.31Å; M368-A426 HydrophobicContact CB-CB 4.39Å; M368-A426 HydrophobicContact CG-CB 4.37Å; Y422-A426 PolarHBondContact O-N 3.38Å; S423-A426 PolarHBondContact O-N 2.93Å; A426-C429 PolarHBondContact O-N 3.25Å; A426-K430 WeakPolarHBondContact O-CB 3.05Å; A426-K430 PolarHBondContact O-N 3.24Å |
| 427 | D | 95.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.2 | -46.1 | 179.7 | -64.5 | -29.9 | 0 | 0 | 0 | 111.8 | S423 M425 K430 Q431 | S423-D427 VanDerWaalsContact O-CG 3.26Å; S423-D427 PolarHBondContact O-N 3.12Å; M425-D427 VanDerWaalsContact C-N 3.35Å; D427-K430 PolarHBondContact O-N 3.19Å; D427-Q431 WeakPolarHBondContact O-CB 3.41Å; D427-Q431 PolarHBondContact O-N 3.44Å |
| 428 | I | 96.2 | Very high | 96 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.6 | -73.6 | -167.6 | 0 | 0 | 0 | 111.2 | L409 T412 L413 F416 A424 K430 Q431 W432 | L409-I428 HydrophobicContact CD1-CG2 3.74Å; T412-I428 HydrophobicContact CG2-CD1 4.4Å; L413-I428 HydrophobicContact CD2-CG2 4.13Å; F416-I428 HydrophobicContact CD2-CD1 4.17Å; F416-I428 HydrophobicContact CE2-CD1 3.27Å; F416-I428 HydrophobicContact CE2-CG1 4.08Å; F416-I428 HydrophobicContact CZ-CD1 3.85Å; A424-I428 WeakPolarHBondContact O-CB 3.44Å; A424-I428 WeakPolarHBondContact O-CG1 2.96Å; A424-I428 PolarHBondContact O-N 3.29Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 2.63Å; I428-Q431 PolarHBondContact O-N 3.01Å; I428-W432 PolarHBondContact O-N 3.21Å; I428-W432 VanDerWaalsContact O-N 3.1Å |
| 429 | C | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 177.6 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | M368 F372 M425 A426 Q431 W432 I433 | M368-C429 HydrophobicContact CG-CB 3.66Å; M368-C429 HydrophobicContact SD-CB 4.39Å; F372-C429 HydrophobicContact CB-CB 3.99Å; F372-C429 HydrophobicContact CD2-CB 4.15Å; F372-C429 HydrophobicContact CG-CB 4.17Å; M425-C429 PolarHBondContact O-N 2.85Å; M425-C429 VanDerWaalsContact O-N 3.08Å; M425-C429 PolarHBondContact O-SG 3.46Å; A426-C429 PolarHBondContact O-N 3.25Å; C429-Q431 VanDerWaalsContact C-N 3.29Å; C429-Q431 PolarHBondContact O-N 3.09Å; C429-W432 PolarHBondContact O-N 2.84Å; C429-I433 WeakPolarHBondContact O-CG1 3.34Å; C429-I433 PolarHBondContact O-N 3.44Å; C429-I433 VanDerWaalsContact O-N 3.12Å |
| 430 | K | 96 | Very high | 96.2 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 178.3 | -172.5 | 176.5 | 179.2 | -179.8 | 0 | 112.5 | A426 D427 I428 P434 | A426-K430 WeakPolarHBondContact O-CB 3.05Å; A426-K430 PolarHBondContact O-N 3.24Å; D427-K430 PolarHBondContact O-N 3.19Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 2.63Å; K430-P434 VanDerWaalsContact O-CD 3.32Å; K430-P434 WeakPolarHBondContact O-CD 3.13Å |
| 431 | Q | 96.4 | Very high | 96.3 | Very high | 141 Ų | 141 | 55.1 Ų | 55.1 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 178.3 | -173.4 | -179.4 | 10.3 | 0 | 0 | 112.9 | D427 I428 C429 | D427-Q431 WeakPolarHBondContact O-CB 3.41Å; D427-Q431 PolarHBondContact O-N 3.44Å; I428-Q431 PolarHBondContact O-N 3.01Å; C429-Q431 VanDerWaalsContact C-N 3.29Å; C429-Q431 PolarHBondContact O-N 3.09Å |
| 432 | W | 97 | Very high | 96.3 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 27% | 0.265 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -88.3 | -18.6 | -177.8 | -81.7 | 96.5 | 0 | 0 | 0 | 114.5 | F372 M401 L409 I428 C429 T435 I436 | F372-W432 HydrophobicContact CE2-CB 3.73Å; M401-W432 HydrophobicContact CE-CE3 4.24Å; M401-W432 HydrophobicContact SD-CE3 4.43Å; L409-W432 HydrophobicContact CD1-CG 4.45Å; L409-W432 HydrophobicContact CD2-CB 4.28Å; L409-W432 HydrophobicContact CD2-CD2 3.92Å; L409-W432 HydrophobicContact CD2-CE3 4.45Å; L409-W432 HydrophobicContact CD2-CG 3.83Å; I428-W432 PolarHBondContact O-N 3.21Å; I428-W432 VanDerWaalsContact O-N 3.1Å; C429-W432 PolarHBondContact O-N 2.84Å; W432-T435 HydrophobicContact CE3-CG2 4.03Å; W432-T435 HydrophobicContact CZ3-CG2 3.98Å; W432-T435 WeakPolarHBondContact O-CB 3.24Å; W432-T435 PolarHBondContact O-N 3.09Å; W432-I436 PolarHBondContact O-N 2.77Å |
| 433 | I | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52.1 | -47.7 | 177.8 | -79.5 | 170.6 | 0 | 0 | 0 | 112.8 | V351 M368 F372 L375 C429 T435 I436 L437 | V351-I433 HydrophobicContact CG1-CD1 4Å; V351-I433 HydrophobicContact CG1-CG2 4.45Å; V351-I433 HydrophobicContact CG2-CG2 3.62Å; M368-I433 HydrophobicContact SD-CD1 3.83Å; F372-I433 HydrophobicContact CD2-CG1 4.15Å; L375-I433 HydrophobicContact CD1-CB 4.41Å; L375-I433 HydrophobicContact CD1-CD1 3.99Å; L375-I433 HydrophobicContact CD1-CG1 3.81Å; L375-I433 HydrophobicContact CD1-CG2 3.83Å; C429-I433 WeakPolarHBondContact O-CG1 3.34Å; C429-I433 PolarHBondContact O-N 3.44Å; C429-I433 VanDerWaalsContact O-N 3.12Å; I433-T435 VanDerWaalsContact C-N 3.26Å; I433-T435 PolarHBondContact O-N 3.05Å; I433-I436 WeakPolarHBondContact O-CB 3.37Å; I433-I436 PolarHBondContact O-N 2.92Å; I433-I436 VanDerWaalsContact O-N 3.09Å; I433-L437 HydrophobicContact CG2-CD1 4.14Å; I433-L437 HydrophobicContact CG2-CG 4.42Å; I433-L437 WeakPolarHBondContact O-CG 3.45Å; I433-L437 PolarHBondContact O-N 2.96Å |
| 434 | P | 97.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.8 | -38.2 | 176.5 | -27.1 | 35.4 | 0 | 0 | 0 | 113.6 | K430 L437 Q438 | K430-P434 VanDerWaalsContact O-CD 3.32Å; K430-P434 WeakPolarHBondContact O-CD 3.13Å; P434-L437 PolarHBondContact O-N 3.17Å; P434-Q438 WeakPolarHBondContact O-CG 3.45Å; P434-Q438 PolarHBondContact O-N 3.03Å |
| 435 | T | 98 | Very high | 96.3 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | 176.8 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | F398 D400 M401 W432 I433 Q438 G439 | F398-T435 HydrophobicContact CE1-CG2 3.87Å; F398-T435 WeakPolarHBondContact CE1-O 3.46Å; D400-T435 HydrophobicContact CB-CG2 3.91Å; M401-T435 HydrophobicContact CB-CG2 4.3Å; W432-T435 HydrophobicContact CE3-CG2 4.03Å; W432-T435 HydrophobicContact CZ3-CG2 3.98Å; W432-T435 WeakPolarHBondContact O-CB 3.24Å; W432-T435 PolarHBondContact O-N 3.09Å; I433-T435 VanDerWaalsContact C-N 3.26Å; I433-T435 PolarHBondContact O-N 3.05Å; T435-Q438 PolarHBondContact O-N 3.28Å; T435-G439 PolarHBondContact O-N 3.12Å |
| 436 | I | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 173.8 | -68.5 | 168.5 | 0 | 0 | 0 | 110.7 | F372 L375 L376 M379 M401 W432 I433 Q438 G439 M440 | F372-I436 HydrophobicContact CD2-CD1 3.67Å; F372-I436 HydrophobicContact CE1-CD1 4.5Å; F372-I436 HydrophobicContact CE2-CD1 3.23Å; F372-I436 HydrophobicContact CE2-CG1 4.45Å; F372-I436 HydrophobicContact CG-CD1 4.45Å; F372-I436 HydrophobicContact CZ-CD1 3.7Å; L375-I436 HydrophobicContact CB-CG2 3.95Å; L375-I436 VanDerWaalsContact O-CG2 3.29Å; L375-I436 WeakPolarHBondContact O-CG2 3.43Å; L376-I436 HydrophobicContact CB-CD1 4.01Å; L376-I436 HydrophobicContact CD1-CD1 4.35Å; L376-I436 HydrophobicContact CD1-CG1 4.43Å; M379-I436 HydrophobicContact CB-CG2 4.25Å; M401-I436 HydrophobicContact CE-CD1 4.14Å; M401-I436 HydrophobicContact CE-CG1 3.81Å; M401-I436 HydrophobicContact SD-CG1 3.55Å; M401-I436 VanDerWaalsContact SD-CG1 3.55Å; W432-I436 PolarHBondContact O-N 2.77Å; I433-I436 WeakPolarHBondContact O-CB 3.37Å; I433-I436 PolarHBondContact O-N 2.92Å; I433-I436 VanDerWaalsContact O-N 3.09Å; I436-Q438 VanDerWaalsContact C-N 3.27Å; I436-Q438 PolarHBondContact O-N 2.78Å; I436-G439 CarbonylContact O-C 3.22Å; I436-G439 WeakPolarHBondContact O-CA 3.31Å; I436-G439 PolarHBondContact O-N 3.43Å; I436-M440 HydrophobicContact CG2-SD 4.43Å; I436-M440 WeakPolarHBondContact O-CG 3.11Å; I436-M440 PolarHBondContact O-N 3.25Å |
| 437 | L | 96.8 | Very high | 96 | Very high | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 178 | -66.3 | 176.3 | 0 | 0 | 0 | 111.7 | V349 L375 I433 P434 M440 K441 | V349-L437 HydrophobicContact CB-CD2 3.94Å; V349-L437 HydrophobicContact CG1-CD2 4.21Å; L375-L437 HydrophobicContact CD2-CD2 4.05Å; I433-L437 HydrophobicContact CG2-CD1 4.14Å; I433-L437 HydrophobicContact CG2-CG 4.42Å; I433-L437 WeakPolarHBondContact O-CG 3.45Å; I433-L437 PolarHBondContact O-N 2.96Å; P434-L437 PolarHBondContact O-N 3.17Å; L437-M440 HydrophobicContact CD2-SD 4.16Å; L437-M440 PolarHBondContact O-N 3.49Å; L437-K441 PolarHBondContact O-N 3.11Å; L437-K441 VanDerWaalsContact O-N 3.12Å |
| 438 | Q | 96.9 | Very high | 95.8 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.2 | -40 | 171.7 | -72.4 | 175.9 | 6.1 | 0 | 0 | 112.5 | F398 P434 T435 I436 K441 Y442 | F398-Q438 HydrophobicContact CZ-CB 4Å; P434-Q438 WeakPolarHBondContact O-CG 3.45Å; P434-Q438 PolarHBondContact O-N 3.03Å; T435-Q438 PolarHBondContact O-N 3.28Å; I436-Q438 VanDerWaalsContact C-N 3.27Å; I436-Q438 PolarHBondContact O-N 2.78Å; Q438-K441 WeakPolarHBondContact O-CB 3.16Å; Q438-K441 PolarHBondContact O-N 3.19Å; Q438-Y442 PolarHBondContact O-N 2.67Å |
| 439 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F398 T435 I436 K441 Y442 Y443 | F398-G439 VanDerWaalsContact CD1-CA 3.5Å; T435-G439 PolarHBondContact O-N 3.12Å; I436-G439 CarbonylContact O-C 3.22Å; I436-G439 WeakPolarHBondContact O-CA 3.31Å; I436-G439 PolarHBondContact O-N 3.43Å; G439-K441 VanDerWaalsContact C-N 3.34Å; G439-K441 PolarHBondContact O-N 3.27Å; G439-Y442 WeakPolarHBondContact O-CB 3.46Å; G439-Y442 PolarHBondContact O-N 3.26Å; G439-Y443 WeakPolarHBondContact O-CD2 3.35Å; G439-Y443 PolarHBondContact O-N 3.02Å; G439-Y443 VanDerWaalsContact O-N 3.09Å |
| 440 | M | 96 | Very high | 95.3 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 171.4 | -69 | 175.2 | 58.9 | 0 | 0 | 110.9 | V349 Q378 M379 Q382 I436 L437 Y442 Y443 H444 | V349-M440 HydrophobicContact CG1-CE 3.82Å; Q378-M440 HydrophobicContact CB-CE 3.77Å; Q378-M440 HydrophobicContact CB-CG 4.45Å; Q378-M440 HydrophobicContact CB-SD 3.87Å; Q378-M440 HydrophobicContact CG-CE 4.25Å; Q378-M440 VanDerWaalsContact OE1-CE 3.27Å; M379-M440 HydrophobicContact CB-CG 3.89Å; M379-M440 HydrophobicContact CG-CG 4.44Å; Q382-M440 PolarHBondContact OE1-O 3.25Å; I436-M440 HydrophobicContact CG2-SD 4.43Å; I436-M440 WeakPolarHBondContact O-CG 3.11Å; I436-M440 PolarHBondContact O-N 3.25Å; L437-M440 HydrophobicContact CD2-SD 4.16Å; L437-M440 PolarHBondContact O-N 3.49Å; M440-Y442 VanDerWaalsContact C-N 3.33Å; M440-Y442 PolarHBondContact O-N 3.19Å; M440-Y443 PolarHBondContact O-N 3.25Å; M440-H444 WeakPolarHBondContact O-CB 3.48Å; M440-H444 PolarHBondContact O-N 2.89Å |
| 441 | K | 94.5 | Very high | 95.1 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.1 | -172.3 | 175.6 | -177.7 | 174.5 | 0 | 112.4 | L437 Q438 G439 H444 Q445 | L437-K441 PolarHBondContact O-N 3.11Å; L437-K441 VanDerWaalsContact O-N 3.12Å; Q438-K441 WeakPolarHBondContact O-CB 3.16Å; Q438-K441 PolarHBondContact O-N 3.19Å; G439-K441 VanDerWaalsContact C-N 3.34Å; G439-K441 PolarHBondContact O-N 3.27Å; K441-H444 PolarHBondContact O-N 3.23Å; K441-Q445 VanDerWaalsContact CE-NE2 3.31Å; K441-Q445 VanDerWaalsContact CE-OE1 3.29Å; K441-Q445 HydrophobicContact CG-CG 4.36Å; K441-Q445 WeakPolarHBondContact O-CB 3.27Å; K441-Q445 WeakPolarHBondContact O-CG 3.47Å; K441-Q445 PolarHBondContact O-N 3.48Å |
| 442 | Y | 96.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.7 | 173.8 | -95.5 | 0 | 0 | 0 | 112.2 | R396 F398 Q438 G439 M440 Q445 Y446 | R396-Y442 PolarHBondContact O-OH 2.97Å; F398-Y442 HydrophobicContact CB-CD1 3.84Å; F398-Y442 HydrophobicContact CB-CE1 4.26Å; F398-Y442 HydrophobicContact CB-CG 4.33Å; F398-Y442 HydrophobicContact CD2-CD1 4.16Å; F398-Y442 HydrophobicContact CD2-CD2 4.13Å; F398-Y442 AromaticContact CD2-CG 3.77Å; F398-Y442 HydrophobicContact CD2-CG 3.77Å; F398-Y442 HydrophobicContact CG-CD1 4.39Å; F398-Y442 HydrophobicContact CG-CG 4.39Å; Q438-Y442 PolarHBondContact O-N 2.67Å; G439-Y442 WeakPolarHBondContact O-CB 3.46Å; G439-Y442 PolarHBondContact O-N 3.26Å; M440-Y442 VanDerWaalsContact C-N 3.33Å; M440-Y442 PolarHBondContact O-N 3.19Å; Y442-Q445 CarbonylContact O-C 3.58Å; Y442-Q445 PolarHBondContact O-N 2.84Å; Y442-Y446 HydrophobicContact CD1-CD2 4.42Å; Y442-Y446 AromaticContact CE1-CD2 3.8Å; Y442-Y446 HydrophobicContact CE1-CD2 3.8Å; Y442-Y446 AromaticContact CE1-CE2 3.81Å; Y442-Y446 HydrophobicContact CE1-CE2 3.81Å; Y442-Y446 AromaticContact CZ-CE2 3.93Å; Y442-Y446 WeakPolarHBondContact O-CA 3.42Å; Y442-Y446 PolarHBondContact O-N 3.13Å; Y442-Y446 VanDerWaalsContact O-N 3.16Å |
| 443 | Y | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.4 | -30.4 | 179.6 | -66.1 | -62.4 | 0 | 0 | 0 | 112.8 | M379 M383 K386 F395 F398 G439 M440 Y446 | M379-Y443 HydrophobicContact CG-CD2 3.95Å; M379-Y443 HydrophobicContact CG-CE2 3.91Å; M379-Y443 HydrophobicContact SD-CE2 4.43Å; M383-Y443 HydrophobicContact CB-CD1 4.39Å; M383-Y443 HydrophobicContact CB-CD2 4.08Å; M383-Y443 HydrophobicContact CB-CE1 4.02Å; M383-Y443 HydrophobicContact CB-CE2 3.68Å; M383-Y443 HydrophobicContact CB-CG 4.42Å; M383-Y443 HydrophobicContact CG-CE1 3.95Å; M383-Y443 HydrophobicContact CG-CE2 4.12Å; M383-Y443 WeakPolarHBondContact CG-OH 3.46Å; M383-Y443 HydrophobicContact SD-CE2 4.48Å; M383-Y443 PolarHBondContact SD-OH 2.97Å; M383-Y443 VanDerWaalsContact SD-OH 3.38Å; K386-Y443 WeakPolarHBondContact CE-O 3.44Å; K386-Y443 HydrophobicContact CG-CD1 4.47Å; F395-Y443 HydrophobicContact CE2-CE1 4.45Å; F395-Y443 HydrophobicContact CZ-CE1 4.42Å; F398-Y443 HydrophobicContact CB-CE2 4.02Å; F398-Y443 PolarHBondContact N-OH 3.39Å; G439-Y443 WeakPolarHBondContact O-CD2 3.35Å; G439-Y443 PolarHBondContact O-N 3.02Å; G439-Y443 VanDerWaalsContact O-N 3.09Å; M440-Y443 PolarHBondContact O-N 3.25Å; Y443-Y446 HydrophobicContact CD1-CD2 4.33Å; Y443-Y446 WeakPolarHBondContact O-CB 3.5Å |
| 444 | H | 93.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 171.7 | 175.7 | 57.7 | 0 | 0 | 0 | 111.9 | S27 S28 M440 K441 Y446 | S27-H444 PolarHBondContact O-CE1 2.86Å; S27-H444 VanDerWaalsContact O-CE1 3.24Å; S27-H444 PolarHBondContact OG-CE1 3.01Å; S27-H444 VanDerWaalsContact OG-CE1 3.25Å; S28-H444 PolarHBondContact O-CE1 3.34Å; M440-H444 WeakPolarHBondContact O-CB 3.48Å; M440-H444 PolarHBondContact O-N 2.89Å; K441-H444 PolarHBondContact O-N 3.23Å; H444-Y446 PolarHBondContact O-N 2.74Å |
| 445 | Q | 93.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 20.9 | -176.3 | -58.8 | -178.5 | -18.2 | 0 | 0 | 113.5 | K441 Y442 E447 R448 D873 | K441-Q445 VanDerWaalsContact CE-NE2 3.31Å; K441-Q445 VanDerWaalsContact CE-OE1 3.29Å; K441-Q445 HydrophobicContact CG-CG 4.36Å; K441-Q445 WeakPolarHBondContact O-CB 3.27Å; K441-Q445 WeakPolarHBondContact O-CG 3.47Å; K441-Q445 PolarHBondContact O-N 3.48Å; Y442-Q445 CarbonylContact O-C 3.58Å; Y442-Q445 PolarHBondContact O-N 2.84Å; Q445-E447 VanDerWaalsContact C-N 3.31Å; Q445-E447 PolarHBondContact O-N 2.98Å; Q445-R448 HydrophobicContact CB-CB 4.24Å; Q445-R448 VanDerWaalsContact O-CB 3.29Å; Q445-R448 WeakPolarHBondContact O-CB 3.06Å; Q445-R448 PolarHBondContact O-N 3.48Å; Q445-R448 VanDerWaalsContact O-N 3.07Å; Q445-D873 PolarHBondContact NE2-OD2 2.96Å |
| 446 | Y | 94.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -40.4 | -168.4 | -166.7 | -97.9 | 0 | 0 | 0 | 113.4 | K386 Y390 F394 F395 R396 Y442 Y443 H444 | K386-Y446 HydrophobicContact CD-CG 4.5Å; Y390-Y446 HydrophobicContact CD1-CE1 4.11Å; Y390-Y446 HydrophobicContact CD2-CD1 4.19Å; Y390-Y446 AromaticContact CD2-CE1 3.8Å; Y390-Y446 HydrophobicContact CD2-CE1 3.8Å; Y390-Y446 HydrophobicContact CE1-CD1 4.41Å; Y390-Y446 AromaticContact CE1-CE1 3.81Å; Y390-Y446 HydrophobicContact CE1-CE1 3.81Å; Y390-Y446 AromaticContact CE2-CD1 3.51Å; Y390-Y446 HydrophobicContact CE2-CD1 3.51Å; Y390-Y446 AromaticContact CE2-CE1 3.48Å; Y390-Y446 HydrophobicContact CE2-CE1 3.48Å; Y390-Y446 VanDerWaalsContact CE2-CE1 3.48Å; Y390-Y446 HydrophobicContact CG-CE1 4.1Å; Y390-Y446 AromaticContact CZ-CD1 3.64Å; Y390-Y446 AromaticContact CZ-CE1 3.47Å; Y390-Y446 VanDerWaalsContact CZ-CE1 3.47Å; F394-Y446 PolarHBondContact O-OH 2.71Å; F395-Y446 WeakPolarHBondContact CA-OH 3.35Å; R396-Y446 PolarHBondContact N-OH 2.69Å; Y442-Y446 HydrophobicContact CD1-CD2 4.42Å; Y442-Y446 AromaticContact CE1-CD2 3.8Å; Y442-Y446 HydrophobicContact CE1-CD2 3.8Å; Y442-Y446 AromaticContact CE1-CE2 3.81Å; Y442-Y446 HydrophobicContact CE1-CE2 3.81Å; Y442-Y446 AromaticContact CZ-CE2 3.93Å; Y442-Y446 WeakPolarHBondContact O-CA 3.42Å; Y442-Y446 PolarHBondContact O-N 3.13Å; Y442-Y446 VanDerWaalsContact O-N 3.16Å; Y443-Y446 HydrophobicContact CD1-CD2 4.33Å; Y443-Y446 WeakPolarHBondContact O-CB 3.5Å; H444-Y446 PolarHBondContact O-N 2.74Å |
| 447 | E | 92 | Very high | 92.8 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.7 | -179 | -65.2 | 78.7 | -174 | 0 | 0 | 114 | K386 Y390 Q445 R449 L450 L451 F507 | K386-E447 IonicContact NZ-OE1 3.61Å; K386-E447 PolarHBondContact NZ-OE1 2.94Å; K386-E447 IonicContact NZ-OE2 3.75Å; K386-E447 PolarHBondContact NZ-OE2 2.66Å; Y390-E447 WeakPolarHBondContact CE2-OE1 3.39Å; Y390-E447 VanDerWaalsContact OH-CG 3.22Å; Y390-E447 WeakPolarHBondContact OH-CG 3.41Å; Y390-E447 PolarHBondContact OH-OE1 3.1Å; Q445-E447 VanDerWaalsContact C-N 3.31Å; Q445-E447 PolarHBondContact O-N 2.98Å; E447-R449 VanDerWaalsContact C-N 3.32Å; E447-R449 PolarHBondContact O-N 3.19Å; E447-L450 PolarHBondContact O-N 3.13Å; E447-L450 VanDerWaalsContact O-N 3.08Å; E447-L451 HydrophobicContact CB-CD1 3.86Å; E447-L451 HydrophobicContact CB-CG 4.17Å; E447-L451 PolarHBondContact O-N 3Å; E447-F507 HydrophobicContact CB-CE2 4.26Å; E447-F507 HydrophobicContact CG-CD2 4.43Å; E447-F507 HydrophobicContact CG-CE2 3.95Å |
| 448 | R | 91.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 44 Ų | 44 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53 | -49.4 | -165.1 | 177.7 | 172.3 | -68.1 | -168.6 | 7.4 | 112 | V24 Q445 L450 L451 T452 D873 | V24-R448 HydrophobicContact CG1-CB 4.35Å; V24-R448 HydrophobicContact CG1-CG 3.77Å; V24-R448 PolarHBondContact O-NE 3.44Å; V24-R448 PolarHBondContact O-NH2 3.41Å; Q445-R448 HydrophobicContact CB-CB 4.24Å; Q445-R448 VanDerWaalsContact O-CB 3.29Å; Q445-R448 WeakPolarHBondContact O-CB 3.06Å; Q445-R448 PolarHBondContact O-N 3.48Å; Q445-R448 VanDerWaalsContact O-N 3.07Å; R448-L450 PolarHBondContact O-N 3.23Å; R448-L451 PolarHBondContact O-N 3.24Å; R448-T452 WeakPolarHBondContact O-CB 3.41Å; R448-T452 PolarHBondContact O-N 3.32Å; R448-T452 PolarHBondContact O-OG1 3.25Å; R448-D873 IonicContact CZ-OD2 2.66Å; R448-D873 VanDerWaalsContact NH1-CG 3.29Å; R448-D873 IonicContact NH1-OD1 3.73Å; R448-D873 PolarHBondContact NH1-OD1 2.94Å; R448-D873 IonicContact NH1-OD2 2.81Å; R448-D873 PolarHBondContact NH1-OD2 3.08Å; R448-D873 IonicContact NH2-OD2 3.34Å; R448-D873 PolarHBondContact NH2-OD2 2.6Å |
| 449 | R | 91.1 | Very high | 91.9 | Very high | 214 Ų | 214 | 38.8 Ų | 38.8 | 81% | 0.808 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -60.8 | -44.3 | -177.8 | -173.7 | 178.5 | 179.5 | -179.3 | 0.7 | 112.6 | E447 C453 | E447-R449 VanDerWaalsContact C-N 3.32Å; E447-R449 PolarHBondContact O-N 3.19Å; R449-C453 PolarHBondContact O-N 3.16Å; R449-C453 VanDerWaalsContact O-N 3.11Å; R449-C453 PolarHBondContact O-SG 3.09Å |
| 450 | L | 91.5 | Very high | 91.2 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 179.4 | 172.8 | 62.9 | 0 | 0 | 0 | 110.3 | E447 R448 C453 C454 F503 | E447-L450 PolarHBondContact O-N 3.13Å; E447-L450 VanDerWaalsContact O-N 3.08Å; R448-L450 PolarHBondContact O-N 3.23Å; L450-C453 WeakPolarHBondContact O-CB 3.27Å; L450-C453 PolarHBondContact O-N 2.88Å; L450-C454 PolarHBondContact O-N 3.48Å; L450-C454 PolarHBondContact O-SG 3.46Å; L450-C454 VanDerWaalsContact O-SG 3.37Å; L450-F503 HydrophobicContact CD2-CE2 4.17Å; L450-F503 HydrophobicContact CD2-CZ 4.19Å |
| 451 | L | 92.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | -177.1 | -63.3 | 179.4 | 0 | 0 | 0 | 111.8 | V24 E447 R448 C453 C454 I455 F507 Y510 T511 | V24-L451 HydrophobicContact CG2-CB 3.51Å; V24-L451 HydrophobicContact CG2-CD1 3.75Å; V24-L451 HydrophobicContact CG2-CG 4.29Å; E447-L451 HydrophobicContact CB-CD1 3.86Å; E447-L451 HydrophobicContact CB-CG 4.17Å; E447-L451 PolarHBondContact O-N 3Å; R448-L451 PolarHBondContact O-N 3.24Å; L451-C453 VanDerWaalsContact C-N 3.32Å; L451-C453 PolarHBondContact O-N 3.12Å; L451-C454 WeakPolarHBondContact O-CB 3.29Å; L451-C454 PolarHBondContact O-N 3.22Å; L451-C454 VanDerWaalsContact O-N 3.13Å; L451-I455 VanDerWaalsContact O-CG1 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.2Å; L451-I455 PolarHBondContact O-N 2.91Å; L451-F507 HydrophobicContact CD1-CD1 4.02Å; L451-F507 HydrophobicContact CD1-CD2 3.98Å; L451-F507 HydrophobicContact CD1-CE1 3.95Å; L451-F507 HydrophobicContact CD1-CE2 3.88Å; L451-F507 HydrophobicContact CD1-CG 4.05Å; L451-F507 HydrophobicContact CD1-CZ 3.86Å; L451-F507 HydrophobicContact CD2-CB 4.3Å; L451-F507 HydrophobicContact CD2-CD2 4.5Å; L451-F507 HydrophobicContact CD2-CG 4.25Å; L451-Y510 HydrophobicContact CD2-CD2 4.27Å; L451-T511 HydrophobicContact CD2-CG2 4.31Å |
| 452 | T | 90.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | R448 C454 I455 I456 L868 F869 | R448-T452 WeakPolarHBondContact O-CB 3.41Å; R448-T452 PolarHBondContact O-N 3.32Å; R448-T452 PolarHBondContact O-OG1 3.25Å; T452-C454 PolarHBondContact O-N 2.75Å; T452-I455 PolarHBondContact O-N 2.73Å; T452-I456 HydrophobicContact CG2-CD1 3.95Å; T452-I456 WeakPolarHBondContact O-CD1 3.47Å; T452-I456 VanDerWaalsContact O-CG1 3.27Å; T452-I456 WeakPolarHBondContact O-CG1 3.07Å; T452-I456 PolarHBondContact O-N 3.39Å; T452-L868 HydrophobicContact CG2-CD2 4.32Å; T452-F869 HydrophobicContact CG2-CE1 4.1Å; T452-F869 HydrophobicContact CG2-CZ 4.49Å |
| 453 | C | 89.9 | Confident | 89.5 | Confident | 73 Ų | 73 | 33 Ų | 33 | 49% | 0.493 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.6 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | R449 L450 L451 I456 A457 | R449-C453 PolarHBondContact O-N 3.16Å; R449-C453 VanDerWaalsContact O-N 3.11Å; R449-C453 PolarHBondContact O-SG 3.09Å; L450-C453 WeakPolarHBondContact O-CB 3.27Å; L450-C453 PolarHBondContact O-N 2.88Å; L451-C453 VanDerWaalsContact C-N 3.32Å; L451-C453 PolarHBondContact O-N 3.12Å; C453-I456 PolarHBondContact O-N 2.87Å; C453-A457 WeakPolarHBondContact O-CB 3.13Å; C453-A457 PolarHBondContact O-N 2.7Å |
| 454 | C | 91.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 11% | 0.108 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.9 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | L450 L451 T452 A457 S458 Y510 | L450-C454 PolarHBondContact O-N 3.48Å; L450-C454 PolarHBondContact O-SG 3.46Å; L450-C454 VanDerWaalsContact O-SG 3.37Å; L451-C454 WeakPolarHBondContact O-CB 3.29Å; L451-C454 PolarHBondContact O-N 3.22Å; L451-C454 VanDerWaalsContact O-N 3.13Å; T452-C454 PolarHBondContact O-N 2.75Å; C454-A457 PolarHBondContact O-N 2.7Å; C454-S458 VanDerWaalsContact O-CB 3.28Å; C454-S458 WeakPolarHBondContact O-CB 3.36Å; C454-S458 PolarHBondContact O-N 2.69Å; C454-S458 PolarHBondContact O-OG 2.9Å; C454-Y510 WeakPolarHBondContact CB-O 3.4Å |
| 455 | I | 89.5 | Confident | 87.9 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.3 | -69.1 | 166 | 0 | 0 | 0 | 110.3 | L17 A20 V24 L451 T452 S458 F459 L868 | L17-I455 HydrophobicContact CD2-CG2 3.97Å; A20-I455 HydrophobicContact CB-CD1 3.73Å; A20-I455 HydrophobicContact CB-CG1 4.03Å; V24-I455 HydrophobicContact CG2-CD1 3.99Å; L451-I455 VanDerWaalsContact O-CG1 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.2Å; L451-I455 PolarHBondContact O-N 2.91Å; T452-I455 PolarHBondContact O-N 2.73Å; I455-S458 VanDerWaalsContact O-CB 3.24Å; I455-S458 WeakPolarHBondContact O-CB 3.41Å; I455-S458 PolarHBondContact O-N 3.48Å; I455-F459 HydrophobicContact CG2-CD2 3.91Å; I455-F459 HydrophobicContact CG2-CE2 3.73Å; I455-F459 VanDerWaalsContact O-CD2 3.29Å; I455-F459 WeakPolarHBondContact O-CD2 3.21Å; I455-F459 PolarHBondContact O-N 2.8Å; I455-L868 HydrophobicContact CG2-CD1 4.17Å; I455-L868 HydrophobicContact CG2-CD2 3.75Å |
| 456 | I | 87 | Confident | 87.1 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 177.5 | -66.6 | 162.2 | 0 | 0 | 0 | 110.9 | T452 C453 S458 F459 C460 T847 L849 L868 F869 | T452-I456 HydrophobicContact CG2-CD1 3.95Å; T452-I456 WeakPolarHBondContact O-CD1 3.47Å; T452-I456 VanDerWaalsContact O-CG1 3.27Å; T452-I456 WeakPolarHBondContact O-CG1 3.07Å; T452-I456 PolarHBondContact O-N 3.39Å; C453-I456 PolarHBondContact O-N 2.87Å; I456-S458 PolarHBondContact O-N 3.42Å; I456-F459 PolarHBondContact O-N 3.06Å; I456-C460 PolarHBondContact O-N 3.37Å; I456-C460 PolarHBondContact O-SG 2.96Å; I456-C460 VanDerWaalsContact O-SG 3.36Å; I456-T847 HydrophobicContact CG2-CG2 4.47Å; I456-L849 HydrophobicContact CG2-CD1 3.54Å; I456-L849 HydrophobicContact CG2-CG 4.04Å; I456-L868 HydrophobicContact CD1-CD2 4.49Å; I456-L868 HydrophobicContact CG1-CD2 3.83Å; I456-F869 HydrophobicContact CD1-CE1 4.25Å; I456-F869 HydrophobicContact CD1-CE2 3.75Å; I456-F869 HydrophobicContact CD1-CZ 3.32Å; I456-F869 HydrophobicContact CG1-CZ 4.49Å |
| 457 | A | 87.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 34 Ų | 34 | 26% | 0.256 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.8 | -36.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C453 C454 C460 A461 P514 F518 | C453-A457 WeakPolarHBondContact O-CB 3.13Å; C453-A457 PolarHBondContact O-N 2.7Å; C454-A457 PolarHBondContact O-N 2.7Å; A457-C460 PolarHBondContact O-N 3.1Å; A457-A461 VanDerWaalsContact O-CB 3.32Å; A457-A461 WeakPolarHBondContact O-CB 3.41Å; A457-A461 PolarHBondContact O-N 3.36Å; A457-P514 HydrophobicContact CB-CB 3.69Å; A457-P514 HydrophobicContact CB-CG 4.35Å; A457-F518 HydrophobicContact CB-CE2 4.5Å |
| 458 | S | 89 | Confident | 85.2 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 177.4 | -72.2 | 0 | 0 | 0 | 0 | 113.1 | C454 I455 I456 C460 A461 W462 M513 P514 | C454-S458 VanDerWaalsContact O-CB 3.28Å; C454-S458 WeakPolarHBondContact O-CB 3.36Å; C454-S458 PolarHBondContact O-N 2.69Å; C454-S458 PolarHBondContact O-OG 2.9Å; I455-S458 VanDerWaalsContact O-CB 3.24Å; I455-S458 WeakPolarHBondContact O-CB 3.41Å; I455-S458 PolarHBondContact O-N 3.48Å; I456-S458 PolarHBondContact O-N 3.42Å; S458-C460 VanDerWaalsContact C-N 3.34Å; S458-A461 PolarHBondContact O-N 3.42Å; S458-W462 WeakPolarHBondContact O-CB 3.43Å; S458-W462 PolarHBondContact O-N 2.8Å; S458-M513 WeakPolarHBondContact OG-CE 3.23Å; S458-P514 VanDerWaalsContact OG-CD 3.27Å; S458-P514 WeakPolarHBondContact OG-CD 3.21Å |
| 459 | F | 85.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.4 | -83.6 | -73.3 | 0 | 0 | 0 | 111.8 | L17 I455 I456 A461 W462 L463 A846 T847 M891 | L17-F459 HydrophobicContact CB-CE2 4.36Å; L17-F459 HydrophobicContact CB-CZ 4.07Å; L17-F459 HydrophobicContact CD1-CD1 3.75Å; L17-F459 HydrophobicContact CD1-CD2 4.21Å; L17-F459 HydrophobicContact CD1-CE1 3.62Å; L17-F459 HydrophobicContact CD1-CE2 4.07Å; L17-F459 HydrophobicContact CD1-CG 4.04Å; L17-F459 HydrophobicContact CD1-CZ 3.77Å; L17-F459 HydrophobicContact CD2-CD2 4.15Å; L17-F459 HydrophobicContact CD2-CE2 4.03Å; L17-F459 HydrophobicContact CD2-CZ 4.46Å; L17-F459 HydrophobicContact CG-CE2 4.39Å; L17-F459 HydrophobicContact CG-CZ 4.32Å; I455-F459 HydrophobicContact CG2-CD2 3.91Å; I455-F459 HydrophobicContact CG2-CE2 3.73Å; I455-F459 VanDerWaalsContact O-CD2 3.29Å; I455-F459 WeakPolarHBondContact O-CD2 3.21Å; I455-F459 PolarHBondContact O-N 2.8Å; I456-F459 PolarHBondContact O-N 3.06Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 2.85Å; F459-W462 PolarHBondContact O-N 3.47Å; F459-L463 WeakPolarHBondContact O-CB 3.48Å; F459-L463 WeakPolarHBondContact O-CG 3.27Å; F459-L463 PolarHBondContact O-N 3.39Å; F459-A846 HydrophobicContact CE1-CB 3.95Å; F459-A846 HydrophobicContact CZ-CB 3.98Å; F459-T847 HydrophobicContact CB-CG2 3.14Å; F459-T847 WeakPolarHBondContact CB-OG1 3.43Å; F459-T847 VanDerWaalsContact CD1-OG1 3.26Å; F459-T847 WeakPolarHBondContact CD1-OG1 3.32Å; F459-T847 HydrophobicContact CD2-CG2 4.31Å; F459-T847 HydrophobicContact CG-CG2 3.91Å; F459-T847 WeakPolarHBondContact CG-OG1 3.44Å; F459-M891 HydrophobicContact CE1-CE 3.7Å; F459-M891 HydrophobicContact CE1-SD 3.57Å; F459-M891 VanDerWaalsContact CE1-SD 3.57Å; F459-M891 HydrophobicContact CZ-CE 3.77Å; F459-M891 HydrophobicContact CZ-SD 3.59Å; F459-M891 VanDerWaalsContact CZ-SD 3.59Å |
| 460 | C | 83 | Confident | 83.3 | Confident | 35 Ų | 35 | 23.3 Ų | 23.3 | 24% | 0.236 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.8 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | I456 A457 S458 W462 L463 L464 L849 | I456-C460 PolarHBondContact O-N 3.37Å; I456-C460 PolarHBondContact O-SG 2.96Å; I456-C460 VanDerWaalsContact O-SG 3.36Å; A457-C460 PolarHBondContact O-N 3.1Å; S458-C460 VanDerWaalsContact C-N 3.34Å; C460-W462 VanDerWaalsContact C-N 3.34Å; C460-L463 PolarHBondContact O-N 3.45Å; C460-L464 WeakPolarHBondContact O-CG 3.25Å; C460-L464 PolarHBondContact O-N 2.94Å; C460-L464 VanDerWaalsContact O-N 3.15Å; C460-L849 VanDerWaalsContact SG-CD1 3.6Å |
| 461 | A | 84.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A457 S458 F459 L464 C465 L517 F518 | A457-A461 VanDerWaalsContact O-CB 3.32Å; A457-A461 WeakPolarHBondContact O-CB 3.41Å; A457-A461 PolarHBondContact O-N 3.36Å; S458-A461 PolarHBondContact O-N 3.42Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 2.85Å; A461-L464 PolarHBondContact O-N 2.91Å; A461-C465 PolarHBondContact O-N 2.86Å; A461-C465 VanDerWaalsContact O-N 3.09Å; A461-C465 PolarHBondContact O-SG 3.16Å; A461-L517 HydrophobicContact CB-CB 3.46Å; A461-L517 VanDerWaalsContact CB-CB 3.46Å; A461-L517 HydrophobicContact CB-CD1 4.47Å; A461-F518 HydrophobicContact CB-CB 4.49Å; A461-F518 HydrophobicContact CB-CD1 4.04Å; A461-F518 HydrophobicContact CB-CD2 3.77Å; A461-F518 HydrophobicContact CB-CE1 4.16Å; A461-F518 HydrophobicContact CB-CE2 3.87Å; A461-F518 HydrophobicContact CB-CG 3.83Å; A461-F518 HydrophobicContact CB-CZ 4.06Å |
| 462 | W | 85 | Confident | 80.7 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.8 | 175.6 | -112.5 | 0 | 0 | 0 | 112.3 | L9 G10 V13 H14 S458 F459 C460 L464 C465 V466 L517 W836 D843 | L9-W462 HydrophobicContact CD2-CZ3 3.82Å; L9-W462 HydrophobicContact CG-CZ3 3.94Å; G10-W462 VanDerWaalsContact CA-CZ2 3.43Å; V13-W462 HydrophobicContact CB-CE3 4.43Å; V13-W462 HydrophobicContact CG1-CB 4.37Å; V13-W462 HydrophobicContact CG1-CD2 4.17Å; V13-W462 HydrophobicContact CG1-CE3 4.32Å; V13-W462 HydrophobicContact CG1-CG 4.17Å; V13-W462 HydrophobicContact CG2-CE3 4.14Å; V13-W462 HydrophobicContact CG2-CZ3 4.38Å; H14-W462 AromaticContact CE1-CE2 3.86Å; H14-W462 AromaticContact CE1-NE1 3.38Å; H14-W462 PolarHBondContact CE1-NE1 3.07Å; S458-W462 WeakPolarHBondContact O-CB 3.43Å; S458-W462 PolarHBondContact O-N 2.8Å; F459-W462 PolarHBondContact O-N 3.47Å; C460-W462 VanDerWaalsContact C-N 3.34Å; W462-L464 VanDerWaalsContact C-N 3.26Å; W462-L464 PolarHBondContact O-N 3.36Å; W462-C465 HydrophobicContact CE3-CB 4.26Å; W462-C465 CarbonylContact O-C 3.57Å; W462-C465 WeakPolarHBondContact O-CA 3.45Å; W462-C465 VanDerWaalsContact O-CB 3.26Å; W462-C465 WeakPolarHBondContact O-CB 3.46Å; W462-C465 PolarHBondContact O-N 3.28Å; W462-V466 HydrophobicContact CD2-CG2 4.05Å; W462-V466 VanDerWaalsContact CE2-CG2 3.45Å; W462-V466 HydrophobicContact CG-CG2 4.49Å; W462-V466 HydrophobicContact CH2-CG2 4.24Å; W462-V466 HydrophobicContact CZ2-CG2 3.57Å; W462-V466 WeakPolarHBondContact O-CG2 3.15Å; W462-V466 PolarHBondContact O-N 3.45Å; W462-L517 HydrophobicContact CB-CD1 4.19Å; W462-L517 HydrophobicContact CE3-CD2 4.33Å; W462-W836 HydrophobicContact CZ2-CZ3 4.24Å; W462-D843 PolarHBondContact NE1-OD2 2.62Å |
| 463 | L | 81.1 | Confident | 79.2 | Confident | 33 Ų | 33 | 29.3 Ų | 29.3 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.7 | -39.4 | 175.4 | -76.2 | 170.6 | 0 | 0 | 0 | 111.9 | F459 C460 C465 V466 F467 I840 D843 | F459-L463 WeakPolarHBondContact O-CB 3.48Å; F459-L463 WeakPolarHBondContact O-CG 3.27Å; F459-L463 PolarHBondContact O-N 3.39Å; C460-L463 PolarHBondContact O-N 3.45Å; L463-C465 VanDerWaalsContact C-N 3.35Å; L463-V466 PolarHBondContact O-N 3.15Å; L463-F467 WeakPolarHBondContact O-CB 3.41Å; L463-F467 PolarHBondContact O-N 3.39Å; L463-I840 HydrophobicContact CD2-CG1 4.47Å; L463-I840 HydrophobicContact CD2-CG2 4.38Å; L463-D843 HydrophobicContact CD2-CB 3.68Å; L463-D843 HydrophobicContact CG-CB 4.3Å |
| 464 | L | 78 | Confident | 77.8 | Confident | 58 Ų | 58 | 30.9 Ų | 30.9 | 30% | 0.304 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 173.3 | -69.6 | 170.1 | 0 | 0 | 0 | 112.4 | C460 A461 W462 S468 F518 A521 W525 | C460-L464 WeakPolarHBondContact O-CG 3.25Å; C460-L464 PolarHBondContact O-N 2.94Å; C460-L464 VanDerWaalsContact O-N 3.15Å; A461-L464 PolarHBondContact O-N 2.91Å; W462-L464 VanDerWaalsContact C-N 3.26Å; W462-L464 PolarHBondContact O-N 3.36Å; L464-S468 WeakPolarHBondContact O-CB 3.42Å; L464-S468 PolarHBondContact O-N 2.93Å; L464-S468 VanDerWaalsContact O-N 3.08Å; L464-S468 PolarHBondContact O-OG 3.45Å; L464-F518 HydrophobicContact CD1-CD1 4.11Å; L464-F518 HydrophobicContact CD1-CE1 3.63Å; L464-A521 HydrophobicContact CB-CB 3.87Å; L464-W525 HydrophobicContact CD2-CZ3 4.12Å |
| 465 | C | 78.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -49.9 | 173 | -66.3 | 0 | 0 | 0 | 0 | 111 | A461 W462 L463 F467 S468 I469 L476 L517 | A461-C465 PolarHBondContact O-N 2.86Å; A461-C465 VanDerWaalsContact O-N 3.09Å; A461-C465 PolarHBondContact O-SG 3.16Å; W462-C465 HydrophobicContact CE3-CB 4.26Å; W462-C465 CarbonylContact O-C 3.57Å; W462-C465 WeakPolarHBondContact O-CA 3.45Å; W462-C465 VanDerWaalsContact O-CB 3.26Å; W462-C465 WeakPolarHBondContact O-CB 3.46Å; W462-C465 PolarHBondContact O-N 3.28Å; L463-C465 VanDerWaalsContact C-N 3.35Å; C465-F467 PolarHBondContact O-N 3.42Å; C465-S468 WeakPolarHBondContact O-CB 3.11Å; C465-S468 PolarHBondContact O-N 2.82Å; C465-S468 VanDerWaalsContact O-N 3.1Å; C465-I469 WeakPolarHBondContact O-CG1 3.44Å; C465-I469 PolarHBondContact O-N 3.29Å; C465-L476 HydrophobicContact CB-CD2 4.31Å; C465-L517 PolarHBondContact SG-O 3.37Å; C465-L517 VanDerWaalsContact SG-O 3.39Å |
| 466 | V | 77.8 | Confident | 75 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | W462 L463 S468 I469 L470 W836 V839 I840 | W462-V466 HydrophobicContact CD2-CG2 4.05Å; W462-V466 VanDerWaalsContact CE2-CG2 3.45Å; W462-V466 HydrophobicContact CG-CG2 4.49Å; W462-V466 HydrophobicContact CH2-CG2 4.24Å; W462-V466 HydrophobicContact CZ2-CG2 3.57Å; W462-V466 WeakPolarHBondContact O-CG2 3.15Å; W462-V466 PolarHBondContact O-N 3.45Å; L463-V466 PolarHBondContact O-N 3.15Å; V466-S468 VanDerWaalsContact C-N 3.25Å; V466-S468 PolarHBondContact O-N 2.77Å; V466-I469 WeakPolarHBondContact O-CB 3.09Å; V466-I469 PolarHBondContact O-N 3.09Å; V466-I469 VanDerWaalsContact O-N 3.09Å; V466-L470 PolarHBondContact O-N 3.05Å; V466-W836 HydrophobicContact CG1-CB 4.42Å; V466-W836 HydrophobicContact CG1-CD2 4.28Å; V466-W836 HydrophobicContact CG1-CE3 3.62Å; V466-W836 HydrophobicContact CG1-CZ3 4.23Å; V466-W836 HydrophobicContact CG2-CE3 4.28Å; V466-W836 HydrophobicContact CG2-CZ3 4.07Å; V466-V839 HydrophobicContact CG2-CG1 4.33Å; V466-I840 HydrophobicContact CB-CG1 4.29Å; V466-I840 HydrophobicContact CG1-CD1 3.96Å; V466-I840 HydrophobicContact CG1-CG1 3.59Å |
| 467 | F | 74.5 | Confident | 73.8 | Confident | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -40 | 174.9 | -169.3 | -111.6 | 0 | 0 | 0 | 111.7 | L463 C465 I469 L470 V471 L528 I531 | L463-F467 WeakPolarHBondContact O-CB 3.41Å; L463-F467 PolarHBondContact O-N 3.39Å; C465-F467 PolarHBondContact O-N 3.42Å; F467-I469 VanDerWaalsContact C-N 3.34Å; F467-I469 PolarHBondContact O-N 3.21Å; F467-L470 PolarHBondContact O-N 2.89Å; F467-V471 HydrophobicContact CD1-CG2 4.4Å; F467-V471 HydrophobicContact CE1-CG2 4.14Å; F467-V471 HydrophobicContact CZ-CG2 4.18Å; F467-V471 WeakPolarHBondContact O-CG2 3.28Å; F467-V471 PolarHBondContact O-N 3.5Å; F467-L528 HydrophobicContact CD1-CD2 3.53Å; F467-L528 HydrophobicContact CE1-CD2 3.26Å; F467-L528 HydrophobicContact CZ-CD2 4.45Å; F467-I531 HydrophobicContact CE1-CD1 4Å; F467-I531 HydrophobicContact CZ-CD1 3.98Å |
| 468 | S | 71.9 | Confident | 72.7 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 113 | L464 C465 V466 | L464-S468 WeakPolarHBondContact O-CB 3.42Å; L464-S468 PolarHBondContact O-N 2.93Å; L464-S468 VanDerWaalsContact O-N 3.08Å; L464-S468 PolarHBondContact O-OG 3.45Å; C465-S468 WeakPolarHBondContact O-CB 3.11Å; C465-S468 PolarHBondContact O-N 2.82Å; C465-S468 VanDerWaalsContact O-N 3.1Å; V466-S468 VanDerWaalsContact C-N 3.25Å; V466-S468 PolarHBondContact O-N 2.77Å |
| 469 | I | 72.3 | Confident | 71.6 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 174.1 | -61.6 | 168.4 | 0 | 0 | 0 | 110.5 | C465 V466 F467 V471 S473 L476 W836 | C465-I469 WeakPolarHBondContact O-CG1 3.44Å; C465-I469 PolarHBondContact O-N 3.29Å; V466-I469 WeakPolarHBondContact O-CB 3.09Å; V466-I469 PolarHBondContact O-N 3.09Å; V466-I469 VanDerWaalsContact O-N 3.09Å; F467-I469 VanDerWaalsContact C-N 3.34Å; F467-I469 PolarHBondContact O-N 3.21Å; I469-V471 PolarHBondContact O-N 2.96Å; I469-S473 VanDerWaalsContact O-CA 3.32Å; I469-S473 WeakPolarHBondContact O-CA 3.27Å; I469-S473 PolarHBondContact O-N 3.32Å; I469-L476 HydrophobicContact CD1-CD1 3.67Å; I469-L476 HydrophobicContact CG1-CD1 3.35Å; I469-W836 HydrophobicContact CD1-CH2 3.77Å; I469-W836 HydrophobicContact CD1-CZ2 3.71Å; I469-W836 HydrophobicContact CD1-CZ3 4.39Å; I469-W836 HydrophobicContact CG2-CZ2 4.07Å |
| 470 | L | 69.5 | Low | 70.7 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | -178.4 | -82.5 | 177 | 0 | 0 | 0 | 113 | V466 F467 T833 W836 L837 I840 | V466-L470 PolarHBondContact O-N 3.05Å; F467-L470 PolarHBondContact O-N 2.89Å; L470-T833 HydrophobicContact CD2-CG2 4.07Å; L470-W836 HydrophobicContact CD1-CB 4.27Å; L470-W836 HydrophobicContact CD2-CB 3.38Å; L470-W836 HydrophobicContact CD2-CG 4.15Å; L470-W836 HydrophobicContact CG-CB 3.81Å; L470-L837 HydrophobicContact CD1-CD2 4.08Å; L470-I840 HydrophobicContact CD1-CD1 3.29Å; L470-I840 HydrophobicContact CD1-CG1 4.44Å |
| 471 | V | 67.2 | Low | 69.8 | Low | 71 Ų | 71 | 47.3 Ų | 47.3 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | -174.5 | 172 | 0 | 0 | 0 | 0 | 112.4 | F467 I469 L528 I531 | F467-V471 HydrophobicContact CD1-CG2 4.4Å; F467-V471 HydrophobicContact CE1-CG2 4.14Å; F467-V471 HydrophobicContact CZ-CG2 4.18Å; F467-V471 WeakPolarHBondContact O-CG2 3.28Å; F467-V471 PolarHBondContact O-N 3.5Å; I469-V471 PolarHBondContact O-N 2.96Å; V471-L528 HydrophobicContact CG2-CD2 4.47Å; V471-I531 HydrophobicContact CB-CD1 4.3Å; V471-I531 HydrophobicContact CG1-CD1 3.84Å; V471-I531 HydrophobicContact CG2-CD1 3.41Å; V471-I531 VanDerWaalsContact CG2-CD1 3.41Å |
| 472 | K | 62.6 | Low | 69 | Low | 90 Ų | 90 | 52.4 Ų | 52.4 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -105.6 | -15.9 | -173.6 | -76.4 | -168.2 | 169.1 | -163.7 | 0 | 115 | E474 N527 | K472-E474 HydrophobicContact CB-CG 4.4Å; K472-E474 PolarHBondContact O-N 3.49Å; K472-N527 PolarHBondContact NZ-ND2 2.87Å |
| 473 | S | 58.5 | Low | 68.3 | Low | 61 Ų | 61 | 53.2 Ų | 53.2 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | trans | 54.4 | 29.2 | -174.8 | -175 | 0 | 0 | 0 | 0 | 114.3 | I469 R830 | I469-S473 VanDerWaalsContact O-CA 3.32Å; I469-S473 WeakPolarHBondContact O-CA 3.27Å; I469-S473 PolarHBondContact O-N 3.32Å; S473-R830 PolarHBondContact OG-NH1 3.03Å; S473-R830 PolarHBondContact OG-NH2 3.01Å | ||
| 474 | E | 59.9 | Low | 68.2 | Low | 106 Ų | 106 | 56.8 Ų | 56.8 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 144 | 176.4 | -71.8 | 173.6 | 176.3 | 0 | 0 | 110.5 | K472 R524 | K472-E474 HydrophobicContact CB-CG 4.4Å; K472-E474 PolarHBondContact O-N 3.49Å; E474-R524 PolarHBondContact O-NH1 3.34Å |
| 475 | S | 61.5 | Low | 68.4 | Low | 68 Ų | 68 | 64.3 Ų | 64.3 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.5 | 174.8 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | D477 R524 | S475-D477 PolarHBondContact O-N 3.4Å; S475-R524 PolarHBondContact O-NH2 2.69Å |
| 476 | L | 60.5 | Low | 68.6 | Low | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 129.8 | 171.9 | -121.5 | 82.7 | 0 | 0 | 0 | 109.3 | L9 C465 I469 L478 A520 | L9-L476 HydrophobicContact CD2-CD2 3.56Å; C465-L476 HydrophobicContact CB-CD2 4.31Å; I469-L476 HydrophobicContact CD1-CD1 3.67Å; I469-L476 HydrophobicContact CG1-CD1 3.35Å; L476-L478 HydrophobicContact CD2-CD2 4.13Å; L476-A520 HydrophobicContact CD2-CB 4.15Å |
| 477 | D | 61.7 | Low | 68.9 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | trans | -88.5 | 114 | 165.3 | -172.4 | 1.1 | 0 | 0 | 0 | 107.6 | S475 T479 H482 | S475-D477 PolarHBondContact O-N 3.4Å; D477-T479 WeakPolarHBondContact OD1-CB 3.44Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.23Å; D477-T479 PolarHBondContact OD1-N 3.04Å; D477-T479 PolarHBondContact OD1-OG1 2.94Å; D477-T479 PolarHBondContact OD2-OG1 3.43Å; D477-H482 IonicContact OD2-CE1 3.82Å; D477-H482 PolarHBondContact OD2-CE1 2.91Å; D477-H482 IonicContact OD2-ND1 3.51Å; D477-H482 PolarHBondContact OD2-ND1 3.26Å | ||
| 478 | L | 64.2 | Low | 69.3 | Low | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | trans | -96.1 | 1 | -178.2 | -73 | 165.9 | 0 | 0 | 0 | 112.3 | L9 L476 L480 Y516 | L9-L478 HydrophobicContact CB-CD1 4.27Å; L9-L478 HydrophobicContact CD1-CD1 4.09Å; L9-L478 HydrophobicContact CD1-CD2 3.88Å; L9-L478 HydrophobicContact CD2-CD1 4.05Å; L9-L478 HydrophobicContact CD2-CD2 3.49Å; L9-L478 VanDerWaalsContact CD2-CD2 3.49Å; L9-L478 HydrophobicContact CD2-CG 4.21Å; L9-L478 HydrophobicContact CG-CD1 4.37Å; L9-L478 HydrophobicContact CG-CD2 4.28Å; L476-L478 HydrophobicContact CD2-CD2 4.13Å; L478-L480 PolarHBondContact O-N 2.88Å; L478-Y516 HydrophobicContact CD2-CE1 4.1Å; L478-Y516 VanDerWaalsContact CD2-OH 3.23Å; L478-Y516 WeakPolarHBondContact CD2-OH 3.25Å; L478-Y516 PolarHBondContact O-OH 3.42Å | ||
| 479 | T | 65.7 | Low | 70.1 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | trans | -72 | 129.2 | -178.1 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | D477 S481 | D477-T479 WeakPolarHBondContact OD1-CB 3.44Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.23Å; D477-T479 PolarHBondContact OD1-N 3.04Å; D477-T479 PolarHBondContact OD1-OG1 2.94Å; D477-T479 PolarHBondContact OD2-OG1 3.43Å; T479-S481 WeakPolarHBondContact CB-OG 3.46Å; T479-S481 PolarHBondContact O-N 2.91Å; T479-S481 VanDerWaalsContact O-N 3.1Å; T479-S481 PolarHBondContact OG1-OG 2.98Å | ||
| 480 | L | 66.4 | Low | 70.9 | Confident | 89 Ų | 89 | 76.6 Ų | 76.6 | 47% | 0.466 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -68.4 | 0.2 | 171.7 | -74.9 | 147.6 | 0 | 0 | 0 | 112.4 | L478 H482 C483 L488 L519 | L478-L480 PolarHBondContact O-N 2.88Å; L480-H482 PolarHBondContact O-N 3.37Å; L480-C483 VanDerWaalsContact CA-SG 3.52Å; L480-C483 WeakPolarHBondContact O-CB 3.46Å; L480-C483 PolarHBondContact O-N 3.44Å; L480-C483 PolarHBondContact O-SG 3.36Å; L480-L488 HydrophobicContact CD2-CD2 4.3Å; L480-L519 HydrophobicContact CD2-CD2 3.85Å |
| 481 | S | 65.3 | Low | 71.8 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.9 | -176.3 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | T479 | T479-S481 WeakPolarHBondContact CB-OG 3.46Å; T479-S481 PolarHBondContact O-N 2.91Å; T479-S481 VanDerWaalsContact O-N 3.1Å; T479-S481 PolarHBondContact OG1-OG 2.98Å |
| 482 | H | 67.1 | Low | 73 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -93.8 | 6.1 | 179.7 | -63.2 | 96.1 | 0 | 0 | 0 | 113.8 | D477 L480 L523 | D477-H482 IonicContact OD2-CE1 3.82Å; D477-H482 PolarHBondContact OD2-CE1 2.91Å; D477-H482 IonicContact OD2-ND1 3.51Å; D477-H482 PolarHBondContact OD2-ND1 3.26Å; L480-H482 PolarHBondContact O-N 3.37Å; H482-L523 HydrophobicContact CB-CD1 4.16Å; H482-L523 HydrophobicContact CB-CD2 3.71Å |
| 483 | C | 70.2 | Confident | 74.3 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 12% | 0.122 | 41% | 0.414 | C | S | . | . | trans | -79.3 | 138.7 | -173.9 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | L480 L488 L519 | L480-C483 VanDerWaalsContact CA-SG 3.52Å; L480-C483 WeakPolarHBondContact O-CB 3.46Å; L480-C483 PolarHBondContact O-N 3.44Å; L480-C483 PolarHBondContact O-SG 3.36Å; C483-L488 HydrophobicContact CB-CD1 4.25Å; C483-L488 HydrophobicContact CB-CD2 4.28Å; C483-L488 HydrophobicContact CB-CG 3.94Å; C483-L519 HydrophobicContact CB-CD1 4.34Å; C483-L519 HydrophobicContact CB-CD2 4.37Å; C483-L519 WeakPolarHBondContact SG-CD2 3.43Å | ||
| 484 | N | 78.7 | Confident | 76 | Confident | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | trans | -76.1 | 153.3 | 171.4 | -69.2 | -27.4 | 0 | 0 | 0 | 110.6 | I486 E487 L488 | N484-I486 PolarHBondContact O-N 3.23Å; N484-E487 PolarHBondContact N-OE2 3.22Å; N484-E487 PolarHBondContact O-N 3.26Å; N484-L488 PolarHBondContact O-N 3.41Å | ||
| 485 | Y | 82.3 | Confident | 77.5 | Confident | 216 Ų | 216 | 70.8 Ų | 70.8 | 85% | 0.847 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -52.6 | -32.2 | 176.8 | -67.2 | -73.6 | 0 | 0 | 0 | 113.7 | G489 | Y485-G489 PolarHBondContact O-N 2.98Å |
| 486 | I | 83.3 | Confident | 79.1 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 71% | 0.713 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.8 | -44.3 | 177.2 | -59.1 | 175.9 | 0 | 0 | 0 | 111 | N484 G489 V490 | N484-I486 PolarHBondContact O-N 3.23Å; I486-G489 PolarHBondContact O-N 2.98Å; I486-V490 WeakPolarHBondContact O-CG2 3.26Å; I486-V490 PolarHBondContact O-N 2.81Å |
| 487 | E | 82.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | -177.4 | -64.7 | 166 | 152.7 | 0 | 0 | 110.9 | N484 G489 V490 I491 L519 | N484-E487 PolarHBondContact N-OE2 3.22Å; N484-E487 PolarHBondContact O-N 3.26Å; E487-G489 VanDerWaalsContact C-N 3.31Å; E487-G489 PolarHBondContact O-N 3.22Å; E487-V490 PolarHBondContact O-N 3.41Å; E487-I491 PolarHBondContact O-N 3.07Å; E487-I491 VanDerWaalsContact O-N 3.12Å; E487-L519 HydrophobicContact CB-CD1 4.05Å; E487-L519 HydrophobicContact CG-CD1 4.09Å; E487-L519 WeakPolarHBondContact OE2-CD1 3.4Å |
| 488 | L | 84.7 | Confident | 82 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 171.4 | -70.8 | 166.1 | 0 | 0 | 0 | 111.5 | L480 C483 N484 I491 G492 | L480-L488 HydrophobicContact CD2-CD2 4.3Å; C483-L488 HydrophobicContact CB-CD1 4.25Å; C483-L488 HydrophobicContact CB-CD2 4.28Å; C483-L488 HydrophobicContact CB-CG 3.94Å; N484-L488 PolarHBondContact O-N 3.41Å; L488-I491 PolarHBondContact O-N 2.83Å; L488-G492 PolarHBondContact O-N 3.23Å |
| 489 | G | 88.3 | Confident | 83.3 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y485 I486 E487 S493 | Y485-G489 PolarHBondContact O-N 2.98Å; I486-G489 PolarHBondContact O-N 2.98Å; E487-G489 VanDerWaalsContact C-N 3.31Å; E487-G489 PolarHBondContact O-N 3.22Å; G489-S493 WeakPolarHBondContact O-CB 3.36Å; G489-S493 PolarHBondContact O-N 2.86Å; G489-S493 PolarHBondContact O-OG 3.48Å |
| 490 | V | 88.8 | Confident | 84.5 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 35% | 0.352 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -49.7 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I486 E487 G492 S493 V494 F515 | I486-V490 WeakPolarHBondContact O-CG2 3.26Å; I486-V490 PolarHBondContact O-N 2.81Å; E487-V490 PolarHBondContact O-N 3.41Å; V490-G492 VanDerWaalsContact C-N 3.31Å; V490-G492 PolarHBondContact O-N 2.96Å; V490-S493 WeakPolarHBondContact O-CB 3.43Å; V490-S493 PolarHBondContact O-N 3.12Å; V490-S493 VanDerWaalsContact O-N 3.12Å; V490-V494 WeakPolarHBondContact O-CG2 3.37Å; V490-V494 PolarHBondContact O-N 3.16Å; V490-F515 HydrophobicContact CG1-CD1 3.52Å; V490-F515 HydrophobicContact CG1-CE1 3.67Å; V490-F515 HydrophobicContact CG1-CG 4.25Å; V490-F515 HydrophobicContact CG1-CZ 4.5Å |
| 491 | I | 88.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 74 Ų | 74 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.9 | -67.2 | 170.2 | 0 | 0 | 0 | 110.3 | E487 L488 S493 V494 L495 V512 F515 L519 | E487-I491 PolarHBondContact O-N 3.07Å; E487-I491 VanDerWaalsContact O-N 3.12Å; L488-I491 PolarHBondContact O-N 2.83Å; I491-S493 VanDerWaalsContact C-N 3.31Å; I491-S493 PolarHBondContact O-N 3.02Å; I491-V494 PolarHBondContact O-N 2.83Å; I491-L495 HydrophobicContact CG2-CD1 4.03Å; I491-L495 HydrophobicContact CG2-CG 4.49Å; I491-L495 WeakPolarHBondContact O-CG 3.47Å; I491-L495 PolarHBondContact O-N 3.4Å; I491-V512 HydrophobicContact CG2-CG1 4.12Å; I491-F515 HydrophobicContact CG1-CB 4.05Å; I491-L519 HydrophobicContact CD1-CD2 4.13Å |
| 492 | G | 91.2 | Very high | 86.9 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L488 V490 L495 F496 | L488-G492 PolarHBondContact O-N 3.23Å; V490-G492 VanDerWaalsContact C-N 3.31Å; V490-G492 PolarHBondContact O-N 2.96Å; G492-L495 PolarHBondContact O-N 2.91Å; G492-F496 VanDerWaalsContact O-CB 3.32Å; G492-F496 WeakPolarHBondContact O-CB 3.41Å; G492-F496 PolarHBondContact O-N 3.46Å |
| 493 | S | 91.7 | Very high | 88 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | G489 V490 I491 F496 L497 | G489-S493 WeakPolarHBondContact O-CB 3.36Å; G489-S493 PolarHBondContact O-N 2.86Å; G489-S493 PolarHBondContact O-OG 3.48Å; V490-S493 WeakPolarHBondContact O-CB 3.43Å; V490-S493 PolarHBondContact O-N 3.12Å; V490-S493 VanDerWaalsContact O-N 3.12Å; I491-S493 VanDerWaalsContact C-N 3.31Å; I491-S493 PolarHBondContact O-N 3.02Å; S493-F496 PolarHBondContact O-N 3.05Å; S493-L497 WeakPolarHBondContact O-CB 3.39Å; S493-L497 VanDerWaalsContact O-CG 3.31Å; S493-L497 WeakPolarHBondContact O-CG 3.36Å; S493-L497 PolarHBondContact O-N 3.11Å |
| 494 | V | 92.4 | Very high | 89 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | V490 I491 L497 S498 V512 F515 | V490-V494 WeakPolarHBondContact O-CG2 3.37Å; V490-V494 PolarHBondContact O-N 3.16Å; I491-V494 PolarHBondContact O-N 2.83Å; V494-L497 PolarHBondContact O-N 3.05Å; V494-S498 WeakPolarHBondContact O-CB 3.42Å; V494-S498 PolarHBondContact O-N 3.18Å; V494-S498 PolarHBondContact O-OG 3.07Å; V494-V512 HydrophobicContact CG1-CG2 4.02Å; V494-F515 HydrophobicContact CG1-CE2 4.48Å; V494-F515 HydrophobicContact CG2-CD2 4.03Å; V494-F515 HydrophobicContact CG2-CE2 3.67Å; V494-F515 HydrophobicContact CG2-CZ 4.05Å |
| 495 | L | 93.5 | Very high | 89.6 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 173.2 | -73.5 | 171 | 0 | 0 | 0 | 111.5 | I491 G492 S498 W499 T508 V512 | I491-L495 HydrophobicContact CG2-CD1 4.03Å; I491-L495 HydrophobicContact CG2-CG 4.49Å; I491-L495 WeakPolarHBondContact O-CG 3.47Å; I491-L495 PolarHBondContact O-N 3.4Å; G492-L495 PolarHBondContact O-N 2.91Å; L495-S498 PolarHBondContact O-N 3.34Å; L495-W499 WeakPolarHBondContact O-CB 3.49Å; L495-W499 PolarHBondContact O-N 3.08Å; L495-T508 HydrophobicContact CD2-CG2 3.66Å; L495-V512 HydrophobicContact CD2-CG2 3.64Å; L495-V512 HydrophobicContact CG-CG2 3.97Å |
| 496 | F | 93.4 | Very high | 90.1 | Very high | 110 Ų | 110 | 65.5 Ų | 65.5 | 48% | 0.482 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.3 | 178.6 | -103.1 | 0 | 0 | 0 | 111.7 | G492 S493 S498 W499 C500 | G492-F496 VanDerWaalsContact O-CB 3.32Å; G492-F496 WeakPolarHBondContact O-CB 3.41Å; G492-F496 PolarHBondContact O-N 3.46Å; S493-F496 PolarHBondContact O-N 3.05Å; F496-S498 VanDerWaalsContact C-N 3.33Å; F496-S498 PolarHBondContact O-N 3.19Å; F496-W499 HydrophobicContact CD2-CE3 4.05Å; F496-W499 HydrophobicContact CD2-CZ3 4.39Å; F496-W499 HydrophobicContact CE2-CE3 4.04Å; F496-W499 AromaticContact CE2-CZ3 3.98Å; F496-W499 HydrophobicContact CE2-CZ3 3.98Å; F496-W499 WeakPolarHBondContact O-CB 3.35Å; F496-W499 PolarHBondContact O-N 3.19Å; F496-C500 VanDerWaalsContact CE1-SG 3.53Å; F496-C500 WeakPolarHBondContact CZ-SG 3.44Å; F496-C500 PolarHBondContact O-N 3.02Å; F496-C500 PolarHBondContact O-SG 3.02Å |
| 497 | L | 92.7 | Very high | 90.6 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.3 | -72.5 | 173.3 | 0 | 0 | 0 | 112.4 | F394 S493 V494 W499 C500 N501 | F394-L497 HydrophobicContact CE2-CD2 3.98Å; F394-L497 HydrophobicContact CZ-CD2 4.1Å; S493-L497 WeakPolarHBondContact O-CB 3.39Å; S493-L497 VanDerWaalsContact O-CG 3.31Å; S493-L497 WeakPolarHBondContact O-CG 3.36Å; S493-L497 PolarHBondContact O-N 3.11Å; V494-L497 PolarHBondContact O-N 3.05Å; L497-W499 VanDerWaalsContact C-N 3.32Å; L497-C500 PolarHBondContact O-N 3.31Å; L497-N501 PolarHBondContact O-N 3.35Å; L497-N501 PolarHBondContact O-ND2 2.87Å |
| 498 | S | 91.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 111 | V494 L495 F496 N501 S502 F503 T511 | V494-S498 WeakPolarHBondContact O-CB 3.42Å; V494-S498 PolarHBondContact O-N 3.18Å; V494-S498 PolarHBondContact O-OG 3.07Å; L495-S498 PolarHBondContact O-N 3.34Å; F496-S498 VanDerWaalsContact C-N 3.33Å; F496-S498 PolarHBondContact O-N 3.19Å; S498-N501 CarbonylContact O-C 3.6Å; S498-N501 PolarHBondContact O-N 3.2Å; S498-S502 PolarHBondContact O-N 3.31Å; S498-F503 PolarHBondContact O-N 3.23Å; S498-T511 PolarHBondContact OG-OG1 3.04Å |
| 499 | W | 91.4 | Very high | 91.5 | Very high | 194 Ų | 194 | 59.1 Ų | 59.1 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.6 | -45.1 | 174.4 | -179.9 | 64.6 | 0 | 0 | 0 | 112.3 | L495 F496 L497 N501 S502 | L495-W499 WeakPolarHBondContact O-CB 3.49Å; L495-W499 PolarHBondContact O-N 3.08Å; F496-W499 HydrophobicContact CD2-CE3 4.05Å; F496-W499 HydrophobicContact CD2-CZ3 4.39Å; F496-W499 HydrophobicContact CE2-CE3 4.04Å; F496-W499 AromaticContact CE2-CZ3 3.98Å; F496-W499 HydrophobicContact CE2-CZ3 3.98Å; F496-W499 WeakPolarHBondContact O-CB 3.35Å; F496-W499 PolarHBondContact O-N 3.19Å; L497-W499 VanDerWaalsContact C-N 3.32Å; W499-N501 PolarHBondContact O-N 3.4Å; W499-S502 PolarHBondContact O-N 3.12Å |
| 500 | C | 91 | Very high | 91.7 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -30.5 | 176.3 | -69.7 | 0 | 0 | 0 | 0 | 113.4 | F496 L497 | F496-C500 VanDerWaalsContact CE1-SG 3.53Å; F496-C500 WeakPolarHBondContact CZ-SG 3.44Å; F496-C500 PolarHBondContact O-N 3.02Å; F496-C500 PolarHBondContact O-SG 3.02Å; L497-C500 PolarHBondContact O-N 3.31Å |
| 501 | N | 90.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 14.9 | 175.6 | -66.3 | -76.9 | 0 | 0 | 0 | 112.9 | V389 Y390 W391 L497 S498 W499 F503 | V389-N501 WeakPolarHBondContact CG1-O 3.21Å; V389-N501 CarbonylContact O-C 3.58Å; V389-N501 WeakPolarHBondContact O-CA 3.28Å; Y390-N501 HydrophobicContact CD1-CB 4.48Å; Y390-N501 WeakPolarHBondContact CD1-OD1 3.28Å; W391-N501 PolarHBondContact N-OD1 2.88Å; L497-N501 PolarHBondContact O-N 3.35Å; L497-N501 PolarHBondContact O-ND2 2.87Å; S498-N501 CarbonylContact O-C 3.6Å; S498-N501 PolarHBondContact O-N 3.2Å; W499-N501 PolarHBondContact O-N 3.4Å; N501-F503 HydrophobicContact CB-CD1 3.73Å; N501-F503 HydrophobicContact CB-CE1 3.55Å; N501-F503 HydrophobicContact CB-CG 4.39Å; N501-F503 HydrophobicContact CB-CZ 4.06Å; N501-F503 VanDerWaalsContact O-CD1 3.29Å; N501-F503 WeakPolarHBondContact O-CD1 3.38Å; N501-F503 PolarHBondContact O-N 3.34Å |
| 502 | S | 89.8 | Confident | 92.1 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 37.8 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | S498 W499 | S498-S502 PolarHBondContact O-N 3.31Å; W499-S502 PolarHBondContact O-N 3.12Å |
| 503 | F | 90.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | trans | -65.7 | 141.2 | -177.6 | -79.2 | -1.6 | 0 | 0 | 0 | 111.1 | Y390 L450 S498 N501 F507 | Y390-F503 HydrophobicContact CE1-CE1 4.09Å; Y390-F503 HydrophobicContact CE1-CZ 4.26Å; Y390-F503 HydrophobicContact CE2-CE1 4.32Å; Y390-F503 AromaticContact CZ-CE1 3.72Å; Y390-F503 WeakPolarHBondContact OH-CE1 3.24Å; L450-F503 HydrophobicContact CD2-CE2 4.17Å; L450-F503 HydrophobicContact CD2-CZ 4.19Å; S498-F503 PolarHBondContact O-N 3.23Å; N501-F503 HydrophobicContact CB-CD1 3.73Å; N501-F503 HydrophobicContact CB-CE1 3.55Å; N501-F503 HydrophobicContact CB-CG 4.39Å; N501-F503 HydrophobicContact CB-CZ 4.06Å; N501-F503 VanDerWaalsContact O-CD1 3.29Å; N501-F503 WeakPolarHBondContact O-CD1 3.38Å; N501-F503 PolarHBondContact O-N 3.34Å; F503-F507 HydrophobicContact CB-CB 4.12Å; F503-F507 HydrophobicContact CD2-CB 4.27Å; F503-F507 HydrophobicContact CG-CB 4.3Å | ||
| 504 | P | 91.7 | Very high | 92.1 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 42% | 0.416 | 27% | 0.266 | S | S | . | . | trans | -61.3 | 159.2 | 170.8 | 27.9 | -34.1 | 0 | 0 | 0 | 110.4 | T506 F507 T508 | P504-T506 PolarHBondContact O-N 3.03Å; P504-F507 HydrophobicContact CG-CB 3.93Å; P504-F507 HydrophobicContact CG-CD1 3.75Å; P504-F507 HydrophobicContact CG-CD2 3.75Å; P504-F507 HydrophobicContact CG-CE1 4.12Å; P504-F507 HydrophobicContact CG-CE2 4.15Å; P504-F507 HydrophobicContact CG-CG 3.54Å; P504-F507 HydrophobicContact CG-CZ 4.32Å; P504-F507 PolarHBondContact O-N 3.21Å; P504-F507 VanDerWaalsContact O-N 3.11Å; P504-T508 PolarHBondContact O-N 3.42Å; P504-T508 PolarHBondContact O-OG1 3.39Å; P504-T508 VanDerWaalsContact O-OG1 3.12Å | ||
| 505 | L | 91.8 | Very high | 92 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 78% | 0.775 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.7 | -37.5 | -178.7 | -178.7 | 64 | 0 | 0 | 0 | 112.2 | T508 L509 | L505-T508 WeakPolarHBondContact O-CB 3.22Å; L505-T508 PolarHBondContact O-N 3.46Å; L505-L509 PolarHBondContact O-N 3.18Å |
| 506 | T | 92.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 179.3 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | Y19 D23 P504 T508 L509 Y510 | Y19-T506 HydrophobicContact CE1-CG2 4.07Å; D23-T506 WeakPolarHBondContact OD2-CB 3.48Å; D23-T506 PolarHBondContact OD2-OG1 2.78Å; P504-T506 PolarHBondContact O-N 3.03Å; T506-T508 VanDerWaalsContact C-N 3.33Å; T506-T508 PolarHBondContact O-N 2.87Å; T506-L509 WeakPolarHBondContact O-CB 3.42Å; T506-L509 PolarHBondContact O-N 3.16Å; T506-Y510 WeakPolarHBondContact O-CD1 3.47Å; T506-Y510 VanDerWaalsContact O-CD2 3.23Å; T506-Y510 WeakPolarHBondContact O-CD2 3.21Å; T506-Y510 WeakPolarHBondContact O-CE1 3.47Å; T506-Y510 WeakPolarHBondContact O-CE2 3.45Å; T506-Y510 PolarHBondContact O-N 2.76Å |
| 507 | F | 93.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | 177.6 | -70.8 | 16.4 | 0 | 0 | 0 | 111.4 | D23 E447 L451 F503 P504 L509 Y510 T511 | D23-F507 HydrophobicContact CB-CE1 3.9Å; E447-F507 HydrophobicContact CB-CE2 4.26Å; E447-F507 HydrophobicContact CG-CD2 4.43Å; E447-F507 HydrophobicContact CG-CE2 3.95Å; L451-F507 HydrophobicContact CD1-CD1 4.02Å; L451-F507 HydrophobicContact CD1-CD2 3.98Å; L451-F507 HydrophobicContact CD1-CE1 3.95Å; L451-F507 HydrophobicContact CD1-CE2 3.88Å; L451-F507 HydrophobicContact CD1-CG 4.05Å; L451-F507 HydrophobicContact CD1-CZ 3.86Å; L451-F507 HydrophobicContact CD2-CB 4.3Å; L451-F507 HydrophobicContact CD2-CD2 4.5Å; L451-F507 HydrophobicContact CD2-CG 4.25Å; F503-F507 HydrophobicContact CB-CB 4.12Å; F503-F507 HydrophobicContact CD2-CB 4.27Å; F503-F507 HydrophobicContact CG-CB 4.3Å; P504-F507 HydrophobicContact CG-CB 3.93Å; P504-F507 HydrophobicContact CG-CD1 3.75Å; P504-F507 HydrophobicContact CG-CD2 3.75Å; P504-F507 HydrophobicContact CG-CE1 4.12Å; P504-F507 HydrophobicContact CG-CE2 4.15Å; P504-F507 HydrophobicContact CG-CG 3.54Å; P504-F507 HydrophobicContact CG-CZ 4.32Å; P504-F507 PolarHBondContact O-N 3.21Å; P504-F507 VanDerWaalsContact O-N 3.11Å; F507-L509 VanDerWaalsContact C-N 3.3Å; F507-L509 PolarHBondContact O-N 3.14Å; F507-Y510 HydrophobicContact CD1-CD2 4.21Å; F507-Y510 AromaticContact CD1-CE2 3.98Å; F507-Y510 HydrophobicContact CD1-CE2 3.98Å; F507-Y510 PolarHBondContact O-N 3.44Å; F507-T511 WeakPolarHBondContact O-CG2 3.47Å; F507-T511 PolarHBondContact O-N 2.74Å; F507-T511 PolarHBondContact O-OG1 3.22Å |
| 508 | T | 93.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 173 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | L495 P504 L505 T506 T511 V512 | L495-T508 HydrophobicContact CD2-CG2 3.66Å; P504-T508 PolarHBondContact O-N 3.42Å; P504-T508 PolarHBondContact O-OG1 3.39Å; P504-T508 VanDerWaalsContact O-OG1 3.12Å; L505-T508 WeakPolarHBondContact O-CB 3.22Å; L505-T508 PolarHBondContact O-N 3.46Å; T506-T508 VanDerWaalsContact C-N 3.33Å; T506-T508 PolarHBondContact O-N 2.87Å; T508-T511 WeakPolarHBondContact CA-OG1 3.29Å; T508-T511 PolarHBondContact O-N 2.99Å; T508-T511 PolarHBondContact O-OG1 2.69Å; T508-V512 HydrophobicContact CG2-CG2 4.35Å; T508-V512 WeakPolarHBondContact O-CB 3.34Å; T508-V512 VanDerWaalsContact O-CG2 3.26Å; T508-V512 WeakPolarHBondContact O-CG2 3.39Å; T508-V512 PolarHBondContact O-N 2.92Å |
| 509 | L | 93 | Very high | 90.3 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.7 | -175.7 | 64.2 | 0 | 0 | 0 | 111.5 | I16 L505 T506 F507 T511 V512 M513 | I16-L509 HydrophobicContact CD1-CD1 4.27Å; I16-L509 HydrophobicContact CD1-CD2 3.86Å; I16-L509 HydrophobicContact CD1-CG 4.26Å; I16-L509 HydrophobicContact CG1-CD2 3.86Å; I16-L509 HydrophobicContact CG2-CD2 3.84Å; I16-L509 HydrophobicContact CG2-CG 4.09Å; L505-L509 PolarHBondContact O-N 3.18Å; T506-L509 WeakPolarHBondContact O-CB 3.42Å; T506-L509 PolarHBondContact O-N 3.16Å; F507-L509 VanDerWaalsContact C-N 3.3Å; F507-L509 PolarHBondContact O-N 3.14Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.33Å; L509-V512 PolarHBondContact O-N 3.48Å; L509-M513 VanDerWaalsContact O-CB 3.3Å; L509-M513 WeakPolarHBondContact O-CB 3.39Å; L509-M513 PolarHBondContact O-N 3.15Å |
| 510 | Y | 93.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -36.7 | -179.3 | -49.5 | -32 | 0 | 0 | 0 | 112.8 | I16 Y19 A20 D23 L451 C454 T506 F507 P514 | I16-Y510 HydrophobicContact CG2-CD1 3.9Å; I16-Y510 HydrophobicContact CG2-CE1 3.93Å; Y19-Y510 WeakPolarHBondContact CD1-OH 3.26Å; A20-Y510 VanDerWaalsContact CA-CZ 3.49Å; A20-Y510 HydrophobicContact CB-CD1 3.74Å; A20-Y510 HydrophobicContact CB-CD2 4.23Å; A20-Y510 HydrophobicContact CB-CE1 3.48Å; A20-Y510 VanDerWaalsContact CB-CE1 3.48Å; A20-Y510 HydrophobicContact CB-CE2 4.01Å; A20-Y510 HydrophobicContact CB-CG 4.13Å; D23-Y510 HydrophobicContact CB-CE2 3.92Å; D23-Y510 WeakPolarHBondContact OD2-CE2 3.36Å; D23-Y510 PolarHBondContact OD2-OH 2.89Å; L451-Y510 HydrophobicContact CD2-CD2 4.27Å; C454-Y510 WeakPolarHBondContact CB-O 3.4Å; T506-Y510 WeakPolarHBondContact O-CD1 3.47Å; T506-Y510 VanDerWaalsContact O-CD2 3.23Å; T506-Y510 WeakPolarHBondContact O-CD2 3.21Å; T506-Y510 WeakPolarHBondContact O-CE1 3.47Å; T506-Y510 WeakPolarHBondContact O-CE2 3.45Å; T506-Y510 PolarHBondContact O-N 2.76Å; F507-Y510 HydrophobicContact CD1-CD2 4.21Å; F507-Y510 AromaticContact CD1-CE2 3.98Å; F507-Y510 HydrophobicContact CD1-CE2 3.98Å; F507-Y510 PolarHBondContact O-N 3.44Å; Y510-P514 WeakPolarHBondContact O-CD 3.28Å |
| 511 | T | 93.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.2 | -31.7 | -179.1 | 51 | 0 | 0 | 0 | 0 | 112.9 | L451 S498 F507 T508 L509 F515 | L451-T511 HydrophobicContact CD2-CG2 4.31Å; S498-T511 PolarHBondContact OG-OG1 3.04Å; F507-T511 WeakPolarHBondContact O-CG2 3.47Å; F507-T511 PolarHBondContact O-N 2.74Å; F507-T511 PolarHBondContact O-OG1 3.22Å; T508-T511 WeakPolarHBondContact CA-OG1 3.29Å; T508-T511 PolarHBondContact O-N 2.99Å; T508-T511 PolarHBondContact O-OG1 2.69Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.33Å; T511-F515 VanDerWaalsContact O-CD2 3.3Å; T511-F515 WeakPolarHBondContact O-CD2 3.46Å; T511-F515 WeakPolarHBondContact O-CE2 3.15Å |
| 512 | V | 92.8 | Very high | 87.7 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.2 | -35.8 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | I491 V494 L495 T508 L509 P514 F515 Y516 | I491-V512 HydrophobicContact CG2-CG1 4.12Å; V494-V512 HydrophobicContact CG1-CG2 4.02Å; L495-V512 HydrophobicContact CD2-CG2 3.64Å; L495-V512 HydrophobicContact CG-CG2 3.97Å; T508-V512 HydrophobicContact CG2-CG2 4.35Å; T508-V512 WeakPolarHBondContact O-CB 3.34Å; T508-V512 VanDerWaalsContact O-CG2 3.26Å; T508-V512 WeakPolarHBondContact O-CG2 3.39Å; T508-V512 PolarHBondContact O-N 2.92Å; L509-V512 PolarHBondContact O-N 3.48Å; V512-P514 VanDerWaalsContact C-CD 3.42Å; V512-F515 PolarHBondContact O-N 3.3Å; V512-F515 VanDerWaalsContact O-N 3.09Å; V512-Y516 PolarHBondContact O-N 2.77Å; V512-Y516 VanDerWaalsContact O-N 3.14Å |
| 513 | M | 91.6 | Very high | 86.4 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.054 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.1 | -44.7 | -175.8 | -161.1 | 176.4 | 78.5 | 0 | 0 | 115.7 | V13 I16 L17 S458 L509 F515 Y516 L517 | V13-M513 HydrophobicContact CG1-CE 4.36Å; I16-M513 HydrophobicContact CB-SD 4.14Å; I16-M513 HydrophobicContact CD1-SD 4.09Å; I16-M513 HydrophobicContact CG2-CE 4.5Å; I16-M513 HydrophobicContact CG2-SD 3.73Å; L17-M513 HydrophobicContact CD1-CE 4.31Å; L17-M513 HydrophobicContact CD2-CE 3.54Å; L17-M513 HydrophobicContact CG-CE 3.82Å; S458-M513 WeakPolarHBondContact OG-CE 3.23Å; L509-M513 VanDerWaalsContact O-CB 3.3Å; L509-M513 WeakPolarHBondContact O-CB 3.39Å; L509-M513 PolarHBondContact O-N 3.15Å; M513-F515 VanDerWaalsContact C-N 3.28Å; M513-F515 PolarHBondContact O-N 2.71Å; M513-Y516 PolarHBondContact O-N 3.28Å; M513-L517 HydrophobicContact CE-CD1 4.18Å; M513-L517 HydrophobicContact CG-CD1 3.94Å; M513-L517 HydrophobicContact CG-CG 4.25Å; M513-L517 WeakPolarHBondContact O-CG 3.49Å; M513-L517 PolarHBondContact O-N 3.28Å |
| 514 | P | 90.5 | Very high | 85.1 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 179.9 | 22.6 | -31.7 | 0 | 0 | 0 | 111.6 | A457 S458 Y510 V512 L517 F518 | A457-P514 HydrophobicContact CB-CB 3.69Å; A457-P514 HydrophobicContact CB-CG 4.35Å; S458-P514 VanDerWaalsContact OG-CD 3.27Å; S458-P514 WeakPolarHBondContact OG-CD 3.21Å; Y510-P514 WeakPolarHBondContact O-CD 3.28Å; V512-P514 VanDerWaalsContact C-CD 3.42Å; P514-L517 PolarHBondContact O-N 3.12Å; P514-F518 HydrophobicContact CB-CD2 4.47Å; P514-F518 WeakPolarHBondContact O-CB 3.33Å; P514-F518 WeakPolarHBondContact O-CD2 3.39Å; P514-F518 PolarHBondContact O-N 3.16Å |
| 515 | F | 89.6 | Confident | 83.5 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 178.6 | -61.8 | -80.7 | 0 | 0 | 0 | 112 | V490 I491 V494 T511 V512 M513 F518 L519 | V490-F515 HydrophobicContact CG1-CD1 3.52Å; V490-F515 HydrophobicContact CG1-CE1 3.67Å; V490-F515 HydrophobicContact CG1-CG 4.25Å; V490-F515 HydrophobicContact CG1-CZ 4.5Å; I491-F515 HydrophobicContact CG1-CB 4.05Å; V494-F515 HydrophobicContact CG1-CE2 4.48Å; V494-F515 HydrophobicContact CG2-CD2 4.03Å; V494-F515 HydrophobicContact CG2-CE2 3.67Å; V494-F515 HydrophobicContact CG2-CZ 4.05Å; T511-F515 VanDerWaalsContact O-CD2 3.3Å; T511-F515 WeakPolarHBondContact O-CD2 3.46Å; T511-F515 WeakPolarHBondContact O-CE2 3.15Å; V512-F515 PolarHBondContact O-N 3.3Å; V512-F515 VanDerWaalsContact O-N 3.09Å; M513-F515 VanDerWaalsContact C-N 3.28Å; M513-F515 PolarHBondContact O-N 2.71Å; F515-F518 PolarHBondContact O-N 3.33Å; F515-L519 VanDerWaalsContact O-CB 3.28Å; F515-L519 WeakPolarHBondContact O-CB 3.43Å; F515-L519 PolarHBondContact O-N 3.01Å |
| 516 | Y | 87.1 | Confident | 82 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 27% | 0.271 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.8 | 177.3 | -102.9 | 0 | 0 | 0 | 112.2 | L478 V512 M513 L519 A520 | L478-Y516 HydrophobicContact CD2-CE1 4.1Å; L478-Y516 VanDerWaalsContact CD2-OH 3.23Å; L478-Y516 WeakPolarHBondContact CD2-OH 3.25Å; L478-Y516 PolarHBondContact O-OH 3.42Å; V512-Y516 PolarHBondContact O-N 2.77Å; V512-Y516 VanDerWaalsContact O-N 3.14Å; M513-Y516 PolarHBondContact O-N 3.28Å; Y516-L519 WeakPolarHBondContact O-CB 3.45Å; Y516-A520 PolarHBondContact O-N 3.35Å; Y516-A520 VanDerWaalsContact O-N 3.15Å |
| 517 | L | 86 | Confident | 80.2 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.1 | -39.5 | 178.5 | -67.4 | 175.7 | 0 | 0 | 0 | 112.3 | V13 A461 W462 C465 M513 P514 L519 A520 A521 | V13-L517 HydrophobicContact CG1-CD1 4.26Å; V13-L517 HydrophobicContact CG2-CD1 4.36Å; V13-L517 HydrophobicContact CG2-CD2 4.03Å; A461-L517 HydrophobicContact CB-CB 3.46Å; A461-L517 VanDerWaalsContact CB-CB 3.46Å; A461-L517 HydrophobicContact CB-CD1 4.47Å; W462-L517 HydrophobicContact CB-CD1 4.19Å; W462-L517 HydrophobicContact CE3-CD2 4.33Å; C465-L517 PolarHBondContact SG-O 3.37Å; C465-L517 VanDerWaalsContact SG-O 3.39Å; M513-L517 HydrophobicContact CE-CD1 4.18Å; M513-L517 HydrophobicContact CG-CD1 3.94Å; M513-L517 HydrophobicContact CG-CG 4.25Å; M513-L517 WeakPolarHBondContact O-CG 3.49Å; M513-L517 PolarHBondContact O-N 3.28Å; P514-L517 PolarHBondContact O-N 3.12Å; L517-L519 VanDerWaalsContact C-N 3.26Å; L517-L519 PolarHBondContact O-N 3.25Å; L517-A520 PolarHBondContact O-N 3.37Å; L517-A521 PolarHBondContact O-N 3.08Å |
| 518 | F | 83.6 | Confident | 78.4 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 30% | 0.303 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.2 | -89.6 | -61 | 0 | 0 | 0 | 111.6 | A457 A461 L464 P514 F515 A521 N522 | A457-F518 HydrophobicContact CB-CE2 4.5Å; A461-F518 HydrophobicContact CB-CB 4.49Å; A461-F518 HydrophobicContact CB-CD1 4.04Å; A461-F518 HydrophobicContact CB-CD2 3.77Å; A461-F518 HydrophobicContact CB-CE1 4.16Å; A461-F518 HydrophobicContact CB-CE2 3.87Å; A461-F518 HydrophobicContact CB-CG 3.83Å; A461-F518 HydrophobicContact CB-CZ 4.06Å; L464-F518 HydrophobicContact CD1-CD1 4.11Å; L464-F518 HydrophobicContact CD1-CE1 3.63Å; P514-F518 HydrophobicContact CB-CD2 4.47Å; P514-F518 WeakPolarHBondContact O-CB 3.33Å; P514-F518 WeakPolarHBondContact O-CD2 3.39Å; P514-F518 PolarHBondContact O-N 3.16Å; F515-F518 PolarHBondContact O-N 3.33Å; F518-A521 PolarHBondContact O-N 3.05Å; F518-N522 VanDerWaalsContact O-CB 3.26Å; F518-N522 WeakPolarHBondContact O-CB 3.29Å; F518-N522 PolarHBondContact O-N 2.86Å |
| 519 | L | 79.3 | Confident | 76.7 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.8 | 172.1 | 62.1 | 0 | 0 | 0 | 111.7 | L480 C483 E487 I491 F515 Y516 L517 A521 N522 L523 | L480-L519 HydrophobicContact CD2-CD2 3.85Å; C483-L519 HydrophobicContact CB-CD1 4.34Å; C483-L519 HydrophobicContact CB-CD2 4.37Å; C483-L519 WeakPolarHBondContact SG-CD2 3.43Å; E487-L519 HydrophobicContact CB-CD1 4.05Å; E487-L519 HydrophobicContact CG-CD1 4.09Å; E487-L519 WeakPolarHBondContact OE2-CD1 3.4Å; I491-L519 HydrophobicContact CD1-CD2 4.13Å; F515-L519 VanDerWaalsContact O-CB 3.28Å; F515-L519 WeakPolarHBondContact O-CB 3.43Å; F515-L519 PolarHBondContact O-N 3.01Å; Y516-L519 WeakPolarHBondContact O-CB 3.45Å; L517-L519 VanDerWaalsContact C-N 3.26Å; L517-L519 PolarHBondContact O-N 3.25Å; L519-A521 PolarHBondContact O-N 3.29Å; L519-N522 PolarHBondContact O-N 3.35Å; L519-L523 PolarHBondContact O-N 3.21Å |
| 520 | A | 75.9 | Confident | 74.9 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L476 Y516 L517 | L476-A520 HydrophobicContact CD2-CB 4.15Å; Y516-A520 PolarHBondContact O-N 3.35Å; Y516-A520 VanDerWaalsContact O-N 3.15Å; L517-A520 PolarHBondContact O-N 3.37Å |
| 521 | A | 74.2 | Confident | 73 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L464 L517 F518 L519 L523 R524 W525 | L464-A521 HydrophobicContact CB-CB 3.87Å; L517-A521 PolarHBondContact O-N 3.08Å; F518-A521 PolarHBondContact O-N 3.05Å; L519-A521 PolarHBondContact O-N 3.29Å; A521-L523 VanDerWaalsContact C-N 3.33Å; A521-L523 PolarHBondContact O-N 3.34Å; A521-R524 PolarHBondContact O-N 3.45Å; A521-W525 PolarHBondContact O-N 3.35Å |
| 522 | N | 69.3 | Low | 71.1 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -33.9 | -174.7 | -91.5 | -16.5 | 0 | 0 | 0 | 113.3 | F518 L519 R524 W525 | F518-N522 VanDerWaalsContact O-CB 3.26Å; F518-N522 WeakPolarHBondContact O-CB 3.29Å; F518-N522 PolarHBondContact O-N 2.86Å; L519-N522 PolarHBondContact O-N 3.35Å; N522-R524 PolarHBondContact O-N 3.45Å; N522-W525 PolarHBondContact O-N 3.35Å |
| 523 | L | 61.1 | Low | 69.4 | Low | 70 Ų | 70 | 65.6 Ų | 65.6 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.7 | -18.5 | 171 | -72.8 | 167.3 | 0 | 0 | 0 | 112.2 | H482 L519 A521 | H482-L523 HydrophobicContact CB-CD1 4.16Å; H482-L523 HydrophobicContact CB-CD2 3.71Å; L519-L523 PolarHBondContact O-N 3.21Å; A521-L523 VanDerWaalsContact C-N 3.33Å; A521-L523 PolarHBondContact O-N 3.34Å |
| 524 | R | 63.1 | Low | 67.6 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -117 | -15.3 | -177.1 | -57.3 | -173.3 | 176.8 | -158.9 | -3.8 | 114.9 | E474 S475 A521 N522 K526 N527 | E474-R524 PolarHBondContact O-NH1 3.34Å; S475-R524 PolarHBondContact O-NH2 2.69Å; A521-R524 PolarHBondContact O-N 3.45Å; N522-R524 PolarHBondContact O-N 3.45Å; R524-K526 PolarHBondContact O-N 3.1Å; R524-N527 WeakPolarHBondContact O-CB 3.4Å; R524-N527 PolarHBondContact O-N 3.3Å |
| 525 | W | 59.6 | Low | 66.3 | Low | 125 Ų | 125 | 78 Ų | 78 | 47% | 0.473 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.8 | -35.3 | -179 | -176.5 | -100.6 | 0 | 0 | 0 | 113.8 | L464 A521 N522 N527 L528 | L464-W525 HydrophobicContact CD2-CZ3 4.12Å; A521-W525 PolarHBondContact O-N 3.35Å; N522-W525 PolarHBondContact O-N 3.35Å; W525-N527 PolarHBondContact O-N 3.4Å; W525-L528 HydrophobicContact CE3-CD1 4.16Å; W525-L528 PolarHBondContact O-N 3.22Å; W525-L528 VanDerWaalsContact O-N 3.07Å |
| 526 | K | 58.8 | Low | 65.2 | Low | 180 Ų | 180 | 78.9 Ų | 78.9 | 78% | 0.783 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.3 | 177.1 | -69.8 | -176.5 | -179.8 | 176 | 0 | 113.1 | R524 | R524-K526 PolarHBondContact O-N 3.1Š|
| 527 | N | 55 | Low | 64.2 | Low | 95 Ų | 95 | 80 Ų | 80 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -11.2 | -177.9 | -61.2 | -43.9 | 0 | 0 | 0 | 114.3 | K472 R524 W525 | K472-N527 PolarHBondContact NZ-ND2 2.87Å; R524-N527 WeakPolarHBondContact O-CB 3.4Å; R524-N527 PolarHBondContact O-N 3.3Å; W525-N527 PolarHBondContact O-N 3.4Å |
| 528 | L | 56.3 | Low | 63.5 | Low | 11 Ų | 11 | 82.9 Ų | 82.9 | 6% | 0.058 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -82.9 | -9.6 | -176 | -84.9 | 148.1 | 0 | 0 | 0 | 114 | F467 V471 W525 G530 I531 | F467-L528 HydrophobicContact CD1-CD2 3.53Å; F467-L528 HydrophobicContact CE1-CD2 3.26Å; F467-L528 HydrophobicContact CZ-CD2 4.45Å; V471-L528 HydrophobicContact CG2-CD2 4.47Å; W525-L528 HydrophobicContact CE3-CD1 4.16Å; W525-L528 PolarHBondContact O-N 3.22Å; W525-L528 VanDerWaalsContact O-N 3.07Å; L528-G530 PolarHBondContact O-N 2.87Å; L528-I531 HydrophobicContact CD2-CD1 3.84Å; L528-I531 PolarHBondContact O-N 2.72Å |
| 529 | K | 56.7 | Low | 63 | Low | 169 Ų | 169 | 85.1 Ų | 85.1 | 74% | 0.735 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -55.8 | -25.5 | 179.5 | -72.5 | -173 | 176.3 | -177 | 0 | 113.6 | ||
| 530 | G | 54.8 | Low | 62.7 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 62% | 0.619 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -71.7 | -25.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L528 | L528-G530 PolarHBondContact O-N 2.87Š|
| 531 | I | 54.2 | Low | 62.5 | Low | 57 Ų | 57 | 89.2 Ų | 89.2 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -75.9 | -30.3 | -174.5 | -59.8 | -176.2 | 0 | 0 | 0 | 111.8 | F467 V471 L528 S533 L538 | F467-I531 HydrophobicContact CE1-CD1 4Å; F467-I531 HydrophobicContact CZ-CD1 3.98Å; V471-I531 HydrophobicContact CB-CD1 4.3Å; V471-I531 HydrophobicContact CG1-CD1 3.84Å; V471-I531 HydrophobicContact CG2-CD1 3.41Å; V471-I531 VanDerWaalsContact CG2-CD1 3.41Å; L528-I531 HydrophobicContact CD2-CD1 3.84Å; L528-I531 PolarHBondContact O-N 2.72Å; I531-S533 PolarHBondContact O-N 2.74Å; I531-L538 HydrophobicContact CG2-CD2 4.1Å |
| 532 | F | 53.6 | Low | 62.5 | Low | 122 Ų | 122 | 92.6 Ų | 92.6 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -72.2 | 6.5 | -179.1 | -69.2 | -75.7 | 0 | 0 | 0 | 114.7 | R535 | F532-R535 WeakPolarHBondContact O-CG 3.09Š|
| 533 | S | 57.1 | Low | 62.7 | Low | 110 Ų | 110 | 91 Ų | 91 | 77% | 0.769 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -73.2 | -29.3 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | I531 R535 | I531-S533 PolarHBondContact O-N 2.74Å; S533-R535 PolarHBondContact O-N 2.95Å |
| 534 | C | 53.5 | Low | 63.5 | Low | 77 Ų | 77 | 93 Ų | 93 | 52% | 0.52 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -98.9 | 66.4 | -178.4 | -145.7 | 0 | 0 | 0 | 0 | 111.9 | T537 L538 | C534-T537 PolarHBondContact SG-OG1 3.31Å; C534-L538 WeakPolarHBondContact O-CB 3.49Å |
| 535 | R | 62.9 | Low | 64.2 | Low | 197 Ų | 197 | 92 Ų | 92 | 74% | 0.743 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | -165.4 | -76.6 | -174.5 | 171.2 | 175.8 | -5.1 | 115.6 | F532 S533 L539 | F532-R535 WeakPolarHBondContact O-CG 3.09Å; S533-R535 PolarHBondContact O-N 2.95Å; R535-L539 WeakPolarHBondContact O-CB 3.48Å; R535-L539 PolarHBondContact O-N 2.89Å |
| 536 | S | 66.4 | Low | 65.1 | Low | 101 Ų | 101 | 87.9 Ų | 87.9 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -78.6 | -51.7 | -166.6 | -172.2 | 0 | 0 | 0 | 0 | 113.5 | L539 A540 | S536-L539 PolarHBondContact O-N 3.42Å; S536-A540 WeakPolarHBondContact O-CB 3.32Å; S536-A540 PolarHBondContact O-N 3.28Å |
| 537 | T | 67.5 | Low | 66.1 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | -178.9 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | C534 A540 S541 | C534-T537 PolarHBondContact SG-OG1 3.31Å; T537-A540 PolarHBondContact O-N 3.09Å; T537-S541 PolarHBondContact O-N 3.32Å; T537-S541 PolarHBondContact O-OG 2.94Å; T537-S541 VanDerWaalsContact O-OG 3.1Å |
| 538 | L | 70.8 | Confident | 67.3 | Low | 62 Ų | 62 | 79.6 Ų | 79.6 | 33% | 0.325 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.6 | -174.9 | 65.9 | 0 | 0 | 0 | 111.2 | I531 C534 S541 V542 | I531-L538 HydrophobicContact CG2-CD2 4.1Å; C534-L538 WeakPolarHBondContact O-CB 3.49Å; L538-S541 PolarHBondContact O-N 3.22Å; L538-V542 HydrophobicContact CD1-CG2 4.25Å; L538-V542 HydrophobicContact CG-CG2 4.31Å; L538-V542 WeakPolarHBondContact O-CB 3.34Å; L538-V542 WeakPolarHBondContact O-CG2 3.49Å; L538-V542 PolarHBondContact O-N 3.47Å |
| 539 | L | 72.4 | Confident | 68.4 | Low | 115 Ų | 115 | 79.5 Ų | 79.5 | 60% | 0.602 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 178.3 | -177.5 | 65.5 | 0 | 0 | 0 | 111.5 | R535 S536 V542 S543 | R535-L539 WeakPolarHBondContact O-CB 3.48Å; R535-L539 PolarHBondContact O-N 2.89Å; S536-L539 PolarHBondContact O-N 3.42Å; L539-V542 PolarHBondContact O-N 2.87Å; L539-S543 VanDerWaalsContact O-CB 3.27Å; L539-S543 WeakPolarHBondContact O-CB 3.26Å; L539-S543 PolarHBondContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.38Å |
| 540 | A | 73.7 | Confident | 69.4 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S536 T537 S543 L544 | S536-A540 WeakPolarHBondContact O-CB 3.32Å; S536-A540 PolarHBondContact O-N 3.28Å; T537-A540 PolarHBondContact O-N 3.09Å; A540-S543 PolarHBondContact O-N 2.91Å; A540-L544 WeakPolarHBondContact O-CB 3.29Å; A540-L544 PolarHBondContact O-N 3.44Å |
| 541 | S | 71.2 | Confident | 70.7 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 179 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | T537 L538 S543 L544 A545 M755 | T537-S541 PolarHBondContact O-N 3.32Å; T537-S541 PolarHBondContact O-OG 2.94Å; T537-S541 VanDerWaalsContact O-OG 3.1Å; L538-S541 PolarHBondContact O-N 3.22Å; S541-S543 VanDerWaalsContact C-N 3.33Å; S541-L544 PolarHBondContact O-N 3.5Å; S541-A545 WeakPolarHBondContact O-CB 3.28Å; S541-A545 PolarHBondContact O-N 2.99Å; S541-M755 WeakPolarHBondContact OG-CE 3.45Å |
| 542 | V | 74.1 | Confident | 72 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 172.9 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | L538 L539 L544 A545 V546 | L538-V542 HydrophobicContact CD1-CG2 4.25Å; L538-V542 HydrophobicContact CG-CG2 4.31Å; L538-V542 WeakPolarHBondContact O-CB 3.34Å; L538-V542 WeakPolarHBondContact O-CG2 3.49Å; L538-V542 PolarHBondContact O-N 3.47Å; L539-V542 PolarHBondContact O-N 2.87Å; V542-L544 PolarHBondContact O-N 3.01Å; V542-A545 PolarHBondContact O-N 2.8Å; V542-V546 HydrophobicContact CG1-CG2 4.38Å; V542-V546 VanDerWaalsContact O-CG2 3.28Å; V542-V546 WeakPolarHBondContact O-CG2 3.1Å; V542-V546 PolarHBondContact O-N 3.38Å |
| 543 | S | 73.6 | Confident | 73.3 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L539 A540 S541 V546 I547 | L539-S543 VanDerWaalsContact O-CB 3.27Å; L539-S543 WeakPolarHBondContact O-CB 3.26Å; L539-S543 PolarHBondContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.38Å; A540-S543 PolarHBondContact O-N 2.91Å; S541-S543 VanDerWaalsContact C-N 3.33Å; S543-V546 PolarHBondContact O-N 3.44Å; S543-I547 VanDerWaalsContact O-CG1 3.25Å; S543-I547 WeakPolarHBondContact O-CG1 3.47Å; S543-I547 PolarHBondContact O-N 3.39Å |
| 544 | L | 78.9 | Confident | 74.6 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 58% | 0.581 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 175.4 | -175.1 | 65.9 | 0 | 0 | 0 | 111.9 | A540 S541 V542 I547 F548 | A540-L544 WeakPolarHBondContact O-CB 3.29Å; A540-L544 PolarHBondContact O-N 3.44Å; S541-L544 PolarHBondContact O-N 3.5Å; V542-L544 PolarHBondContact O-N 3.01Å; L544-I547 PolarHBondContact O-N 2.96Å; L544-F548 WeakPolarHBondContact O-CB 3.28Å; L544-F548 PolarHBondContact O-N 2.98Å |
| 545 | A | 76.5 | Confident | 75.9 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 12% | 0.116 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S541 V542 I547 F548 I549 L762 | S541-A545 WeakPolarHBondContact O-CB 3.28Å; S541-A545 PolarHBondContact O-N 2.99Å; V542-A545 PolarHBondContact O-N 2.8Å; A545-I547 PolarHBondContact O-N 3.14Å; A545-F548 PolarHBondContact O-N 3.26Å; A545-I549 WeakPolarHBondContact O-CB 3.15Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.25Å; A545-I549 PolarHBondContact O-N 2.81Å; A545-L762 HydrophobicContact CB-CD1 3.92Å; A545-L762 HydrophobicContact CB-CD2 4.48Å |
| 546 | V | 78.2 | Confident | 76.7 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | V542 S543 F548 I549 E550 F844 | V542-V546 HydrophobicContact CG1-CG2 4.38Å; V542-V546 VanDerWaalsContact O-CG2 3.28Å; V542-V546 WeakPolarHBondContact O-CG2 3.1Å; V542-V546 PolarHBondContact O-N 3.38Å; S543-V546 PolarHBondContact O-N 3.44Å; V546-F548 VanDerWaalsContact C-N 3.32Å; V546-F548 PolarHBondContact O-N 3.3Å; V546-I549 PolarHBondContact O-N 3.35Å; V546-E550 HydrophobicContact CG1-CG 4.32Å; V546-E550 VanDerWaalsContact O-CG 3.31Å; V546-E550 WeakPolarHBondContact O-CG 3.26Å; V546-E550 PolarHBondContact O-N 3.36Å; V546-F844 HydrophobicContact CB-CE1 4.36Å; V546-F844 HydrophobicContact CB-CZ 4.14Å; V546-F844 HydrophobicContact CG1-CE1 3.91Å; V546-F844 HydrophobicContact CG1-CZ 3.7Å; V546-F844 HydrophobicContact CG2-CE1 4.04Å; V546-F844 HydrophobicContact CG2-CE2 4.1Å; V546-F844 HydrophobicContact CG2-CZ 3.47Å; V546-F844 VanDerWaalsContact CG2-CZ 3.47Å |
| 547 | I | 80 | Confident | 77.4 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 45% | 0.446 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.4 | -47 | 176.6 | -68.5 | 164.3 | 0 | 0 | 0 | 110.5 | S543 L544 A545 I549 E550 M551 | S543-I547 VanDerWaalsContact O-CG1 3.25Å; S543-I547 WeakPolarHBondContact O-CG1 3.47Å; S543-I547 PolarHBondContact O-N 3.39Å; L544-I547 PolarHBondContact O-N 2.96Å; A545-I547 PolarHBondContact O-N 3.14Å; I547-I549 VanDerWaalsContact C-N 3.33Å; I547-I549 PolarHBondContact O-N 3.07Å; I547-E550 PolarHBondContact O-N 2.98Å; I547-M551 HydrophobicContact CG2-CG 4.41Å; I547-M551 VanDerWaalsContact O-CG 3.27Å; I547-M551 WeakPolarHBondContact O-CG 3.3Å; I547-M551 PolarHBondContact O-N 3.31Å |
| 548 | F | 80.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 179.4 | -171.1 | -95.3 | 0 | 0 | 0 | 112.4 | L544 A545 V546 M551 L552 C565 L568 L762 F763 F766 | L544-F548 WeakPolarHBondContact O-CB 3.28Å; L544-F548 PolarHBondContact O-N 2.98Å; A545-F548 PolarHBondContact O-N 3.26Å; V546-F548 VanDerWaalsContact C-N 3.32Å; V546-F548 PolarHBondContact O-N 3.3Å; F548-M551 WeakPolarHBondContact O-CB 3.5Å; F548-M551 PolarHBondContact O-N 3.46Å; F548-L552 HydrophobicContact CD1-CD1 3.91Å; F548-L552 HydrophobicContact CD1-CG 4.36Å; F548-L552 HydrophobicContact CE1-CD1 3.69Å; F548-L552 HydrophobicContact CE1-CG 4.19Å; F548-L552 WeakPolarHBondContact O-CG 3.35Å; F548-L552 PolarHBondContact O-N 3.43Å; F548-C565 HydrophobicContact CE2-CB 4.11Å; F548-C565 HydrophobicContact CZ-CB 4.43Å; F548-L568 HydrophobicContact CD2-CD1 4.2Å; F548-L762 HydrophobicContact CD1-CB 4.03Å; F548-L762 HydrophobicContact CD1-CD2 4.03Å; F548-L762 HydrophobicContact CD1-CG 4.44Å; F548-L762 HydrophobicContact CE1-CB 3.98Å; F548-L762 WeakPolarHBondContact CE1-O 3.24Å; F548-F763 HydrophobicContact CZ-CD1 4.41Å; F548-F766 HydrophobicContact CE1-CB 4.02Å; F548-F766 HydrophobicContact CZ-CB 3.74Å; F548-F766 HydrophobicContact CZ-CD2 4.48Å; F548-F766 HydrophobicContact CZ-CG 4.3Å |
| 549 | I | 79.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 178 | -65.5 | 162.9 | 0 | 0 | 0 | 111 | A545 V546 I547 M551 L552 V553 L762 V841 F844 Q845 | A545-I549 WeakPolarHBondContact O-CB 3.15Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.25Å; A545-I549 PolarHBondContact O-N 2.81Å; V546-I549 PolarHBondContact O-N 3.35Å; I547-I549 VanDerWaalsContact C-N 3.33Å; I547-I549 PolarHBondContact O-N 3.07Å; I549-M551 VanDerWaalsContact C-N 3.32Å; I549-M551 PolarHBondContact O-N 2.95Å; I549-L552 CarbonylContact O-C 3.26Å; I549-L552 WeakPolarHBondContact O-CA 3.5Å; I549-L552 WeakPolarHBondContact O-CB 3.43Å; I549-L552 PolarHBondContact O-N 3.5Å; I549-L552 VanDerWaalsContact O-N 3.11Å; I549-V553 WeakPolarHBondContact O-CG2 3.43Å; I549-V553 PolarHBondContact O-N 2.88Å; I549-L762 HydrophobicContact CD1-CD2 4.2Å; I549-L762 HydrophobicContact CG1-CD2 3.94Å; I549-V841 HydrophobicContact CB-CG1 4.45Å; I549-V841 HydrophobicContact CD1-CB 4.18Å; I549-V841 HydrophobicContact CD1-CG1 3.77Å; I549-V841 HydrophobicContact CD1-CG2 3.71Å; I549-V841 HydrophobicContact CG1-CG1 3.63Å; I549-V841 HydrophobicContact CG1-CG2 4.29Å; I549-V841 HydrophobicContact CG2-CG1 3.98Å; I549-F844 HydrophobicContact CD1-CD1 4.38Å; I549-F844 HydrophobicContact CG2-CD1 3.94Å; I549-Q845 HydrophobicContact CG2-CG 3.35Å |
| 550 | E | 78.2 | Confident | 79.3 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 174.7 | -68.7 | -65.5 | 151.9 | 0 | 0 | 111.2 | V546 I547 L552 V553 L554 | V546-E550 HydrophobicContact CG1-CG 4.32Å; V546-E550 VanDerWaalsContact O-CG 3.31Å; V546-E550 WeakPolarHBondContact O-CG 3.26Å; V546-E550 PolarHBondContact O-N 3.36Å; I547-E550 PolarHBondContact O-N 2.98Å; E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 2.87Å; E550-V553 WeakPolarHBondContact O-CB 3.39Å; E550-V553 PolarHBondContact O-N 3.42Å; E550-V553 VanDerWaalsContact O-N 3.09Å; E550-L554 PolarHBondContact O-N 3.36Å |
| 551 | M | 81.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 172.6 | -68.1 | -50 | -53.5 | 0 | 0 | 112 | I547 F548 I549 L554 T555 I564 | I547-M551 HydrophobicContact CG2-CG 4.41Å; I547-M551 VanDerWaalsContact O-CG 3.27Å; I547-M551 WeakPolarHBondContact O-CG 3.3Å; I547-M551 PolarHBondContact O-N 3.31Å; F548-M551 WeakPolarHBondContact O-CB 3.5Å; F548-M551 PolarHBondContact O-N 3.46Å; I549-M551 VanDerWaalsContact C-N 3.32Å; I549-M551 PolarHBondContact O-N 2.95Å; M551-L554 HydrophobicContact CE-CD1 3.84Å; M551-L554 WeakPolarHBondContact O-CB 3.38Å; M551-L554 PolarHBondContact O-N 3.39Å; M551-L554 HydrophobicContact SD-CD1 3.84Å; M551-T555 WeakPolarHBondContact O-CG2 3.15Å; M551-I564 HydrophobicContact CE-CB 3.85Å; M551-I564 HydrophobicContact CE-CD1 3.34Å; M551-I564 HydrophobicContact CE-CG1 4.17Å; M551-I564 HydrophobicContact CE-CG2 3.81Å |
| 552 | L | 82.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -36 | 173 | -69.7 | 173.8 | 0 | 0 | 0 | 112.1 | F548 I549 E550 L554 T555 I765 F766 F769 | F548-L552 HydrophobicContact CD1-CD1 3.91Å; F548-L552 HydrophobicContact CD1-CG 4.36Å; F548-L552 HydrophobicContact CE1-CD1 3.69Å; F548-L552 HydrophobicContact CE1-CG 4.19Å; F548-L552 WeakPolarHBondContact O-CG 3.35Å; F548-L552 PolarHBondContact O-N 3.43Å; I549-L552 CarbonylContact O-C 3.26Å; I549-L552 WeakPolarHBondContact O-CA 3.5Å; I549-L552 WeakPolarHBondContact O-CB 3.43Å; I549-L552 PolarHBondContact O-N 3.5Å; I549-L552 VanDerWaalsContact O-N 3.11Å; E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 2.87Å; L552-L554 VanDerWaalsContact C-N 3.3Å; L552-L554 PolarHBondContact O-N 2.89Å; L552-T555 WeakPolarHBondContact O-CB 3.48Å; L552-T555 WeakPolarHBondContact O-CG2 3.31Å; L552-T555 PolarHBondContact O-N 3.06Å; L552-T555 VanDerWaalsContact O-N 3.15Å; L552-T555 PolarHBondContact O-OG1 2.92Å; L552-I765 HydrophobicContact CD1-CB 4.49Å; L552-I765 HydrophobicContact CD1-CG2 3.8Å; L552-F766 HydrophobicContact CD2-CB 4.27Å; L552-F766 HydrophobicContact CD2-CD2 4.12Å; L552-F769 HydrophobicContact CB-CD1 4.15Å; L552-F769 HydrophobicContact CB-CE1 4.06Å; L552-F769 HydrophobicContact CD2-CB 4.15Å; L552-F769 HydrophobicContact CD2-CD1 4.27Å; L552-F769 HydrophobicContact CD2-CG 4.2Å; L552-F769 WeakPolarHBondContact O-CE1 3.33Å |
| 553 | V | 80.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | I549 E550 T555 F556 F557 Q845 Q865 F867 | I549-V553 WeakPolarHBondContact O-CG2 3.43Å; I549-V553 PolarHBondContact O-N 2.88Å; E550-V553 WeakPolarHBondContact O-CB 3.39Å; E550-V553 PolarHBondContact O-N 3.42Å; E550-V553 VanDerWaalsContact O-N 3.09Å; V553-T555 PolarHBondContact O-N 2.8Å; V553-T555 VanDerWaalsContact O-N 3.1Å; V553-F556 WeakPolarHBondContact O-CB 3.24Å; V553-F556 PolarHBondContact O-N 3.46Å; V553-F557 HydrophobicContact CG1-CE2 4.49Å; V553-Q845 HydrophobicContact CG2-CB 3.99Å; V553-Q845 HydrophobicContact CG2-CG 3.62Å; V553-Q865 HydrophobicContact CG1-CB 4.42Å; V553-Q865 WeakPolarHBondContact CG1-O 3.13Å; V553-F867 HydrophobicContact CG1-CE1 4.42Å; V553-F867 HydrophobicContact CG1-CE2 4.37Å; V553-F867 HydrophobicContact CG1-CZ 3.93Å |
| 554 | L | 83.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -26.9 | 176 | -73.8 | 168.1 | 0 | 0 | 0 | 113.1 | E550 M551 L552 F556 F557 Y558 A561 | E550-L554 PolarHBondContact O-N 3.36Å; M551-L554 HydrophobicContact CE-CD1 3.84Å; M551-L554 WeakPolarHBondContact O-CB 3.38Å; M551-L554 PolarHBondContact O-N 3.39Å; M551-L554 HydrophobicContact SD-CD1 3.84Å; L552-L554 VanDerWaalsContact C-N 3.3Å; L552-L554 PolarHBondContact O-N 2.89Å; L554-F556 PolarHBondContact O-N 3.39Å; L554-F557 PolarHBondContact O-N 3.43Å; L554-Y558 PolarHBondContact O-N 3.36Å; L554-A561 HydrophobicContact CB-CB 3.91Å |
| 555 | T | 82.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.5 | -178.6 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | M551 L552 V553 F557 Y558 R559 A561 L562 F769 F773 | M551-T555 WeakPolarHBondContact O-CG2 3.15Å; L552-T555 WeakPolarHBondContact O-CB 3.48Å; L552-T555 WeakPolarHBondContact O-CG2 3.31Å; L552-T555 PolarHBondContact O-N 3.06Å; L552-T555 VanDerWaalsContact O-N 3.15Å; L552-T555 PolarHBondContact O-OG1 2.92Å; V553-T555 PolarHBondContact O-N 2.8Å; V553-T555 VanDerWaalsContact O-N 3.1Å; T555-F557 VanDerWaalsContact C-N 3.27Å; T555-F557 PolarHBondContact O-N 3.05Å; T555-Y558 WeakPolarHBondContact CA-O 3.24Å; T555-Y558 CarbonylContact O-C 3.52Å; T555-R559 PolarHBondContact O-N 2.99Å; T555-A561 HydrophobicContact CG2-CB 4.12Å; T555-L562 HydrophobicContact CG2-CB 4.44Å; T555-L562 HydrophobicContact CG2-CD2 3.58Å; T555-L562 HydrophobicContact CG2-CG 3.57Å; T555-F769 WeakPolarHBondContact OG1-CD1 3.44Å; T555-F773 WeakPolarHBondContact OG1-CE2 3.33Å |
| 556 | F | 79.6 | Confident | 83.6 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.7 | 173.1 | -78.1 | -91.8 | 0 | 0 | 0 | 112.8 | V553 L554 F769 F773 F867 H886 I889 | V553-F556 WeakPolarHBondContact O-CB 3.24Å; V553-F556 PolarHBondContact O-N 3.46Å; L554-F556 PolarHBondContact O-N 3.39Å; F556-F769 AromaticContact CD2-CE1 3.84Å; F556-F769 HydrophobicContact CD2-CE1 3.84Å; F556-F769 HydrophobicContact CE2-CD1 4.22Å; F556-F769 AromaticContact CE2-CE1 3.21Å; F556-F769 HydrophobicContact CE2-CE1 3.21Å; F556-F769 AromaticContact CE2-CZ 3.66Å; F556-F769 HydrophobicContact CE2-CZ 3.66Å; F556-F769 HydrophobicContact CZ-CE1 4Å; F556-F769 HydrophobicContact CZ-CZ 4.21Å; F556-F773 HydrophobicContact CB-CZ 4.22Å; F556-F773 HydrophobicContact CD1-CE1 4.35Å; F556-F773 AromaticContact CD1-CZ 3.68Å; F556-F773 HydrophobicContact CD1-CZ 3.68Å; F556-F773 HydrophobicContact CD2-CE2 4.44Å; F556-F773 HydrophobicContact CD2-CZ 4.03Å; F556-F773 HydrophobicContact CE1-CZ 4.06Å; F556-F773 HydrophobicContact CE2-CZ 4.45Å; F556-F773 AromaticContact CG-CZ 3.68Å; F556-F773 HydrophobicContact CG-CZ 3.68Å; F556-F773 HydrophobicContact CZ-CZ 4.45Å; F556-F867 HydrophobicContact CB-CE1 4.17Å; F556-F867 HydrophobicContact CB-CZ 4Å; F556-F867 HydrophobicContact CD1-CZ 4.05Å; F556-F867 HydrophobicContact CD2-CE1 4.34Å; F556-F867 HydrophobicContact CD2-CE2 4.06Å; F556-F867 AromaticContact CD2-CZ 3.37Å; F556-F867 HydrophobicContact CD2-CZ 3.37Å; F556-F867 HydrophobicContact CE1-CZ 4.32Å; F556-F867 AromaticContact CE2-CE2 3.8Å; F556-F867 HydrophobicContact CE2-CE2 3.8Å; F556-F867 AromaticContact CE2-CZ 3.6Å; F556-F867 HydrophobicContact CE2-CZ 3.6Å; F556-F867 HydrophobicContact CG-CE1 4.12Å; F556-F867 AromaticContact CG-CZ 3.55Å; F556-F867 HydrophobicContact CG-CZ 3.55Å; F556-F867 HydrophobicContact CZ-CE2 4.18Å; F556-F867 HydrophobicContact CZ-CZ 4.1Å; F556-H886 HydrophobicContact CD1-CB 4.09Å; F556-H886 AromaticContact CD1-CD2 3.4Å; F556-H886 VanDerWaalsContact CD1-CD2 3.4Å; F556-H886 WeakPolarHBondContact CD1-CD2 3.43Å; F556-H886 AromaticContact CD1-CG 3.75Å; F556-H886 AromaticContact CD1-NE2 3.91Å; F556-H886 HydrophobicContact CE1-CB 4.36Å; F556-I889 HydrophobicContact CE1-CB 4.19Å; F556-I889 HydrophobicContact CE1-CD1 4.21Å; F556-I889 HydrophobicContact CE1-CG2 3.92Å; F556-I889 HydrophobicContact CZ-CB 4.42Å; F556-I889 HydrophobicContact CZ-CG2 3.86Å |
| 557 | F | 79.8 | Confident | 84.2 | Confident | 75 Ų | 75 | 36.2 Ų | 36.2 | 33% | 0.329 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -40.8 | 178.1 | -57.9 | -77 | 0 | 0 | 0 | 111.5 | V553 L554 T555 F867 L870 | V553-F557 HydrophobicContact CG1-CE2 4.49Å; L554-F557 PolarHBondContact O-N 3.43Å; T555-F557 VanDerWaalsContact C-N 3.27Å; T555-F557 PolarHBondContact O-N 3.05Å; F557-F867 HydrophobicContact CE2-CE1 4.05Å; F557-F867 AromaticContact CZ-CE1 3.99Å; F557-F867 HydrophobicContact CZ-CE1 3.99Å; F557-L870 HydrophobicContact CE1-CD1 4.36Å; F557-L870 HydrophobicContact CE2-CD1 3.85Å; F557-L870 HydrophobicContact CZ-CD1 3.41Å; F557-L870 VanDerWaalsContact CZ-CD1 3.41Å |
| 558 | Y | 82.3 | Confident | 84.7 | Confident | 130 Ų | 130 | 35.6 Ų | 35.6 | 51% | 0.51 | 17% | 0.174 | S | C | . | . | trans | -133.1 | 93.6 | -173.4 | -59.5 | -65.6 | 0 | 0 | 0 | 109.4 | L554 T555 H560 A561 | L554-Y558 PolarHBondContact O-N 3.36Å; T555-Y558 WeakPolarHBondContact CA-O 3.24Å; T555-Y558 CarbonylContact O-C 3.52Å; Y558-H560 AromaticContact CD1-CE1 3.72Å; Y558-H560 AromaticContact CG-CE1 3.96Å; Y558-H560 PolarHBondContact O-N 3.01Å; Y558-A561 WeakPolarHBondContact O-CB 3.23Å; Y558-A561 PolarHBondContact O-N 2.97Å | ||
| 559 | R | 83.3 | Confident | 85.1 | Confident | 44 Ų | 44 | 34.9 Ų | 34.9 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -54.9 | -31.7 | -179.1 | -170.5 | -175.3 | 60.6 | 165.9 | -3.5 | 113.5 | T555 A561 L562 F597 T598 L600 Y708 F773 | T555-R559 PolarHBondContact O-N 2.99Å; R559-A561 PolarHBondContact O-N 3.49Å; R559-L562 HydrophobicContact CG-CD1 4.08Å; R559-L562 WeakPolarHBondContact O-CB 3.29Å; R559-L562 WeakPolarHBondContact O-CG 3.23Å; R559-L562 PolarHBondContact O-N 2.89Å; R559-L562 VanDerWaalsContact O-N 3.08Å; R559-F597 VanDerWaalsContact CZ-O 3.31Å; R559-F597 PolarHBondContact NH1-O 3.4Å; R559-F597 VanDerWaalsContact NH1-O 3.14Å; R559-F597 PolarHBondContact NH2-O 3.37Å; R559-T598 VanDerWaalsContact CZ-O 3.26Å; R559-T598 PolarHBondContact NE-O 3.13Å; R559-T598 VanDerWaalsContact NE-O 3.08Å; R559-T598 PolarHBondContact NH2-O 3.21Å; R559-L600 PolarHBondContact NH1-O 3.14Å; R559-L600 PolarHBondContact NH2-O 3.29Å; R559-Y708 PolarHBondContact NH1-OH 2.88Å; R559-F773 WeakPolarHBondContact CD-O 3.28Å; R559-F773 HydrophobicContact CG-CB 4Å |
| 560 | H | 85.9 | Confident | 85.8 | Confident | 103 Ų | 103 | 35.3 Ų | 35.3 | 48% | 0.477 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -64.7 | -13.8 | 175.4 | 60.7 | -99.2 | 0 | 0 | 0 | 113.7 | Y558 L562 I563 L599 | Y558-H560 AromaticContact CD1-CE1 3.72Å; Y558-H560 AromaticContact CG-CE1 3.96Å; Y558-H560 PolarHBondContact O-N 3.01Å; H560-L562 PolarHBondContact O-N 3.27Å; H560-I563 HydrophobicContact CB-CD1 4.16Å; H560-I563 VanDerWaalsContact O-CB 3.24Å; H560-I563 WeakPolarHBondContact O-CB 3.39Å; H560-I563 VanDerWaalsContact O-CG1 3.26Å; H560-I563 WeakPolarHBondContact O-CG1 3.44Å; H560-I563 PolarHBondContact O-N 3.29Å; H560-L599 HydrophobicContact CB-CD2 4.17Å |
| 561 | A | 86.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.4 | -23.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L554 T555 Y558 R559 I563 I564 | L554-A561 HydrophobicContact CB-CB 3.91Å; T555-A561 HydrophobicContact CG2-CB 4.12Å; Y558-A561 WeakPolarHBondContact O-CB 3.23Å; Y558-A561 PolarHBondContact O-N 2.97Å; R559-A561 PolarHBondContact O-N 3.49Å; A561-I563 PolarHBondContact O-N 3.44Å; A561-I564 WeakPolarHBondContact O-CB 3.35Å; A561-I564 PolarHBondContact O-N 3.41Å |
| 562 | L | 89.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -28.7 | 172.1 | -75 | 168.6 | 0 | 0 | 0 | 112.4 | T555 R559 H560 I564 C565 I566 T598 F766 L770 F773 | T555-L562 HydrophobicContact CG2-CB 4.44Å; T555-L562 HydrophobicContact CG2-CD2 3.58Å; T555-L562 HydrophobicContact CG2-CG 3.57Å; R559-L562 HydrophobicContact CG-CD1 4.08Å; R559-L562 WeakPolarHBondContact O-CB 3.29Å; R559-L562 WeakPolarHBondContact O-CG 3.23Å; R559-L562 PolarHBondContact O-N 2.89Å; R559-L562 VanDerWaalsContact O-N 3.08Å; H560-L562 PolarHBondContact O-N 3.27Å; L562-I564 PolarHBondContact O-N 3.11Å; L562-C565 PolarHBondContact O-N 2.92Å; L562-C565 VanDerWaalsContact O-N 3.14Å; L562-I566 HydrophobicContact CB-CD1 4.47Å; L562-I566 VanDerWaalsContact O-CG1 3.25Å; L562-I566 WeakPolarHBondContact O-CG1 3.33Å; L562-I566 PolarHBondContact O-N 2.99Å; L562-T598 HydrophobicContact CB-CG2 3.85Å; L562-T598 HydrophobicContact CD1-CG2 4.12Å; L562-F766 HydrophobicContact CD2-CD2 4.32Å; L562-F766 HydrophobicContact CD2-CE2 4.03Å; L562-L770 HydrophobicContact CD1-CD1 4.12Å; L562-F773 HydrophobicContact CD1-CB 4.03Å; L562-F773 HydrophobicContact CD1-CD2 4.4Å |
| 563 | I | 91.4 | Very high | 87.2 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -36.5 | 177 | -62.2 | 173.7 | 0 | 0 | 0 | 110.8 | H560 A561 I566 A567 C595 T598 L599 | H560-I563 HydrophobicContact CB-CD1 4.16Å; H560-I563 VanDerWaalsContact O-CB 3.24Å; H560-I563 WeakPolarHBondContact O-CB 3.39Å; H560-I563 VanDerWaalsContact O-CG1 3.26Å; H560-I563 WeakPolarHBondContact O-CG1 3.44Å; H560-I563 PolarHBondContact O-N 3.29Å; A561-I563 PolarHBondContact O-N 3.44Å; I563-I566 PolarHBondContact O-N 3.38Å; I563-A567 VanDerWaalsContact O-CB 3.29Å; I563-A567 WeakPolarHBondContact O-CB 3.44Å; I563-A567 PolarHBondContact O-N 3.38Å; I563-C595 HydrophobicContact CG1-CB 4.3Å; I563-T598 WeakPolarHBondContact CD1-OG1 3.26Å; I563-T598 WeakPolarHBondContact CG1-OG1 3.47Å; I563-L599 HydrophobicContact CD1-CD1 4.33Å; I563-L599 HydrophobicContact CD1-CD2 3.65Å; I563-L599 HydrophobicContact CD1-CG 3.92Å |
| 564 | I | 88.7 | Confident | 87.7 | Confident | 86 Ų | 86 | 43 Ų | 43 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.1 | -44.7 | 179.6 | -61.8 | 166.6 | 0 | 0 | 0 | 109.9 | M551 A561 L562 I566 A567 L568 | M551-I564 HydrophobicContact CE-CB 3.85Å; M551-I564 HydrophobicContact CE-CD1 3.34Å; M551-I564 HydrophobicContact CE-CG1 4.17Å; M551-I564 HydrophobicContact CE-CG2 3.81Å; A561-I564 WeakPolarHBondContact O-CB 3.35Å; A561-I564 PolarHBondContact O-N 3.41Å; L562-I564 PolarHBondContact O-N 3.11Å; I564-I566 VanDerWaalsContact C-N 3.35Å; I564-I566 PolarHBondContact O-N 3.48Å; I564-A567 PolarHBondContact O-N 3.38Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.18Å |
| 565 | C | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.7 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | F548 L562 L568 M569 F766 | F548-C565 HydrophobicContact CE2-CB 4.11Å; F548-C565 HydrophobicContact CZ-CB 4.43Å; L562-C565 PolarHBondContact O-N 2.92Å; L562-C565 VanDerWaalsContact O-N 3.14Å; C565-L568 PolarHBondContact O-N 2.94Å; C565-M569 PolarHBondContact O-N 2.91Å; C565-M569 VanDerWaalsContact O-N 3.08Å; C565-F766 HydrophobicContact CB-CD2 3.57Å; C565-F766 HydrophobicContact CB-CE2 3.63Å |
| 566 | I | 92.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.8 | -68.2 | 163.4 | 0 | 0 | 0 | 110.8 | L562 I563 I564 L568 M569 A570 C591 E594 C595 T598 F766 | L562-I566 HydrophobicContact CB-CD1 4.47Å; L562-I566 VanDerWaalsContact O-CG1 3.25Å; L562-I566 WeakPolarHBondContact O-CG1 3.33Å; L562-I566 PolarHBondContact O-N 2.99Å; I563-I566 PolarHBondContact O-N 3.38Å; I564-I566 VanDerWaalsContact C-N 3.35Å; I564-I566 PolarHBondContact O-N 3.48Å; I566-L568 VanDerWaalsContact C-N 3.34Å; I566-L568 PolarHBondContact O-N 2.94Å; I566-M569 PolarHBondContact O-N 2.92Å; I566-A570 PolarHBondContact O-N 2.83Å; I566-C591 HydrophobicContact CG2-CB 3.45Å; I566-C591 VanDerWaalsContact CG2-CB 3.45Å; I566-C591 WeakPolarHBondContact CG2-O 3.47Å; I566-E594 HydrophobicContact CD1-CB 3.99Å; I566-C595 VanDerWaalsContact CG2-SG 3.56Å; I566-T598 HydrophobicContact CD1-CG2 4.21Å; I566-F766 HydrophobicContact CD1-CZ 4.47Å; I566-F766 HydrophobicContact CG1-CE2 3.89Å; I566-F766 HydrophobicContact CG1-CZ 3.53Å |
| 567 | A | 91.5 | Very high | 88.2 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I563 I564 M569 A570 V571 | I563-A567 VanDerWaalsContact O-CB 3.29Å; I563-A567 WeakPolarHBondContact O-CB 3.44Å; I563-A567 PolarHBondContact O-N 3.38Å; I564-A567 PolarHBondContact O-N 3.38Å; A567-M569 VanDerWaalsContact C-N 3.34Å; A567-M569 PolarHBondContact O-N 3.31Å; A567-A570 PolarHBondContact O-N 3.1Å; A567-V571 WeakPolarHBondContact O-CG2 3.48Å; A567-V571 PolarHBondContact O-N 3.35Å |
| 568 | L | 89.8 | Confident | 88.3 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.8 | -69.7 | 173 | 0 | 0 | 0 | 112.1 | F548 I564 C565 I566 V571 W572 | F548-L568 HydrophobicContact CD2-CD1 4.2Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.18Å; C565-L568 PolarHBondContact O-N 2.94Å; I566-L568 VanDerWaalsContact C-N 3.34Å; I566-L568 PolarHBondContact O-N 2.94Å; L568-V571 PolarHBondContact O-N 3.5Å; L568-W572 WeakPolarHBondContact O-CB 3.17Å; L568-W572 PolarHBondContact O-N 3.32Å |
| 569 | M | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 173.8 | -70.6 | -175.4 | 63.2 | 0 | 0 | 112.1 | C565 I566 A567 W572 I573 F587 F763 F766 F767 | C565-M569 PolarHBondContact O-N 2.91Å; C565-M569 VanDerWaalsContact O-N 3.08Å; I566-M569 PolarHBondContact O-N 2.92Å; A567-M569 VanDerWaalsContact C-N 3.34Å; A567-M569 PolarHBondContact O-N 3.31Å; M569-W572 PolarHBondContact O-N 3.18Å; M569-I573 PolarHBondContact O-N 3.25Å; M569-F587 HydrophobicContact CB-CE1 4.25Å; M569-F587 HydrophobicContact CE-CZ 3.85Å; M569-F763 HydrophobicContact CE-CB 4.49Å; M569-F763 HydrophobicContact CE-CD1 4.29Å; M569-F763 HydrophobicContact CE-CD2 4.21Å; M569-F763 HydrophobicContact CE-CG 4.09Å; M569-F763 HydrophobicContact CG-CD1 4.02Å; M569-F763 HydrophobicContact CG-CE1 3.66Å; M569-F763 HydrophobicContact CG-CZ 4.05Å; M569-F763 HydrophobicContact SD-CD1 4.02Å; M569-F763 HydrophobicContact SD-CE1 4.28Å; M569-F763 HydrophobicContact SD-CG 4.38Å; M569-F766 HydrophobicContact CE-CD1 4.29Å; M569-F766 HydrophobicContact CE-CE1 4.32Å; M569-F766 HydrophobicContact SD-CD1 3.3Å; M569-F766 WeakPolarHBondContact SD-CD1 3.44Å; M569-F766 HydrophobicContact SD-CE1 3.38Å; M569-F766 WeakPolarHBondContact SD-CE1 3.23Å; M569-F766 HydrophobicContact SD-CG 3.97Å; M569-F766 HydrophobicContact SD-CZ 4.1Å; M569-F767 HydrophobicContact CE-CE2 3.93Å; M569-F767 HydrophobicContact CE-CZ 3.79Å |
| 570 | A | 92.7 | Very high | 88.5 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I566 A567 I573 C574 V588 C591 | I566-A570 PolarHBondContact O-N 2.83Å; A567-A570 PolarHBondContact O-N 3.1Å; A570-I573 WeakPolarHBondContact O-CG2 3.38Å; A570-C574 PolarHBondContact O-N 3.34Å; A570-C574 PolarHBondContact O-SG 2.96Å; A570-V588 HydrophobicContact CB-CG2 4.43Å; A570-C591 HydrophobicContact CB-CB 4.35Å |
| 571 | V | 91.7 | Very high | 88.7 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A567 L568 C574 S575 | A567-V571 WeakPolarHBondContact O-CG2 3.48Å; A567-V571 PolarHBondContact O-N 3.35Å; L568-V571 PolarHBondContact O-N 3.5Å; V571-C574 PolarHBondContact O-N 2.82Å; V571-S575 PolarHBondContact O-N 2.78Å; V571-S575 VanDerWaalsContact O-N 3.11Å; V571-S575 PolarHBondContact O-OG 2.87Å |
| 572 | W | 90.1 | Very high | 88.8 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 17% | 0.167 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 177.8 | 165.6 | 68.6 | 0 | 0 | 0 | 112.1 | L568 M569 C574 S575 L576 F587 V726 F763 | L568-W572 WeakPolarHBondContact O-CB 3.17Å; L568-W572 PolarHBondContact O-N 3.32Å; M569-W572 PolarHBondContact O-N 3.18Å; W572-C574 VanDerWaalsContact C-N 3.29Å; W572-C574 PolarHBondContact O-N 2.64Å; W572-S575 WeakPolarHBondContact O-CA 3.49Å; W572-S575 VanDerWaalsContact O-CB 3.32Å; W572-S575 WeakPolarHBondContact O-CB 3.39Å; W572-S575 PolarHBondContact O-N 3.41Å; W572-L576 HydrophobicContact CH2-CD1 4.12Å; W572-L576 HydrophobicContact CZ2-CD1 3.55Å; W572-L576 HydrophobicContact CZ2-CG 4.44Å; W572-L576 PolarHBondContact O-N 3.33Å; W572-F587 HydrophobicContact CZ3-CZ 4.22Å; W572-V726 HydrophobicContact CH2-CG1 3.69Å; W572-V726 HydrophobicContact CZ2-CG1 4.32Å; W572-V726 HydrophobicContact CZ3-CG1 4.38Å; W572-F763 AromaticContact CD2-CE2 3.73Å; W572-F763 HydrophobicContact CD2-CE2 3.73Å; W572-F763 AromaticContact CD2-CZ 3.75Å; W572-F763 HydrophobicContact CD2-CZ 3.75Å; W572-F763 AromaticContact CE3-CE2 3.39Å; W572-F763 HydrophobicContact CE3-CE2 3.39Å; W572-F763 AromaticContact CE3-CZ 3.64Å; W572-F763 HydrophobicContact CE3-CZ 3.64Å; W572-F763 HydrophobicContact CG-CZ 4.15Å; W572-F763 AromaticContact CH2-CE2 3.83Å; W572-F763 HydrophobicContact CH2-CE2 3.83Å; W572-F763 HydrophobicContact CZ2-CE2 4.17Å; W572-F763 HydrophobicContact CZ3-CD2 4.27Å; W572-F763 AromaticContact CZ3-CE2 3.43Å; W572-F763 HydrophobicContact CZ3-CE2 3.43Å; W572-F763 VanDerWaalsContact CZ3-CE2 3.43Å; W572-F763 HydrophobicContact CZ3-CZ 4.17Å |
| 573 | I | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 179.3 | -172.2 | 56 | 0 | 0 | 0 | 112.3 | M569 A570 S575 L576 R584 F587 V588 V726 | M569-I573 PolarHBondContact O-N 3.25Å; A570-I573 WeakPolarHBondContact O-CG2 3.38Å; I573-S575 PolarHBondContact O-N 2.98Å; I573-L576 HydrophobicContact CD1-CD1 3.94Å; I573-L576 PolarHBondContact O-N 3.18Å; I573-R584 HydrophobicContact CD1-CG 4.29Å; I573-R584 HydrophobicContact CG1-CB 4.38Å; I573-R584 HydrophobicContact CG1-CG 4.08Å; I573-R584 WeakPolarHBondContact O-CD 3.27Å; I573-F587 HydrophobicContact CB-CD1 3.93Å; I573-F587 HydrophobicContact CB-CE1 4.15Å; I573-F587 HydrophobicContact CB-CG 4.3Å; I573-F587 HydrophobicContact CG1-CB 4.09Å; I573-F587 HydrophobicContact CG1-CD1 4.13Å; I573-F587 HydrophobicContact CG1-CD2 4.47Å; I573-F587 HydrophobicContact CG1-CG 3.99Å; I573-F587 HydrophobicContact CG2-CB 4.49Å; I573-F587 HydrophobicContact CG2-CD1 3.51Å; I573-F587 HydrophobicContact CG2-CE1 3.96Å; I573-F587 HydrophobicContact CG2-CG 4.18Å; I573-V588 HydrophobicContact CG2-CG2 3.9Å; I573-V726 HydrophobicContact CD1-CB 4.36Å; I573-V726 HydrophobicContact CD1-CG1 3.61Å; I573-V726 HydrophobicContact CD1-CG2 3.73Å |
| 574 | C | 89.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.1 | -24.4 | 174.9 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | A570 V571 W572 L576 | A570-C574 PolarHBondContact O-N 3.34Å; A570-C574 PolarHBondContact O-SG 2.96Å; V571-C574 PolarHBondContact O-N 2.82Å; W572-C574 VanDerWaalsContact C-N 3.29Å; W572-C574 PolarHBondContact O-N 2.64Å; C574-L576 VanDerWaalsContact C-N 3.33Å |
| 575 | S | 88.8 | Confident | 89.1 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -79.3 | -16.9 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | V571 W572 I573 R577 | V571-S575 PolarHBondContact O-N 2.78Å; V571-S575 VanDerWaalsContact O-N 3.11Å; V571-S575 PolarHBondContact O-OG 2.87Å; W572-S575 WeakPolarHBondContact O-CA 3.49Å; W572-S575 VanDerWaalsContact O-CB 3.32Å; W572-S575 WeakPolarHBondContact O-CB 3.39Å; W572-S575 PolarHBondContact O-N 3.41Å; I573-S575 PolarHBondContact O-N 2.98Å; S575-R577 PolarHBondContact O-N 3.37Å |
| 576 | L | 87.2 | Confident | 89.3 | Confident | 57 Ų | 57 | 70 Ų | 70 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | trans | -79.4 | 109.8 | 177.3 | -62.9 | -178.5 | 0 | 0 | 0 | 110.8 | W572 I573 C574 C579 R584 V726 | W572-L576 HydrophobicContact CH2-CD1 4.12Å; W572-L576 HydrophobicContact CZ2-CD1 3.55Å; W572-L576 HydrophobicContact CZ2-CG 4.44Å; W572-L576 PolarHBondContact O-N 3.33Å; I573-L576 HydrophobicContact CD1-CD1 3.94Å; I573-L576 PolarHBondContact O-N 3.18Å; C574-L576 VanDerWaalsContact C-N 3.33Å; L576-C579 HydrophobicContact CB-CB 4.14Å; L576-R584 PolarHBondContact O-NH1 3.32Å; L576-V726 HydrophobicContact CD1-CG1 3.74Å | ||
| 577 | R | 80.7 | Confident | 89.5 | Confident | 224 Ų | 224 | 69.9 Ų | 69.9 | 85% | 0.845 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.6 | -33.5 | -178.4 | -68.7 | -175.3 | 176.7 | -172.4 | -1 | 113.2 | S575 C579 | S575-R577 PolarHBondContact O-N 3.37Å; R577-C579 VanDerWaalsContact C-N 3.28Å; R577-C579 PolarHBondContact O-N 3.03Å |
| 578 | D | 81.7 | Confident | 89.6 | Confident | 170 Ų | 170 | 69.3 Ų | 69.3 | 91% | 0.909 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -79.6 | -9 | -175.4 | -55.2 | -48.4 | 0 | 0 | 0 | 113.6 | ||
| 579 | C | 83.7 | Confident | 90 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -80.2 | 138.8 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | L576 R577 R584 | L576-C579 HydrophobicContact CB-CB 4.14Å; R577-C579 VanDerWaalsContact C-N 3.28Å; R577-C579 PolarHBondContact O-N 3.03Å; C579-R584 HydrophobicContact CB-CG 3.96Å |
| 580 | S | 86.4 | Confident | 90.2 | Very high | 73 Ų | 73 | 70 Ų | 70 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | trans | -60.7 | 140.8 | -179.6 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | G582 L583 R584 | S580-G582 VanDerWaalsContact C-N 3.3Å; S580-G582 PolarHBondContact O-N 3.43Å; S580-L583 PolarHBondContact O-N 3.02Å; S580-L583 VanDerWaalsContact O-N 3.12Å; S580-L583 WeakPolarHBondContact OG-CB 3.47Å; S580-L583 PolarHBondContact OG-N 2.74Å; S580-R584 PolarHBondContact O-N 3.49Å | ||
| 581 | Y | 89 | Confident | 90.3 | Very high | 173 Ų | 173 | 69.2 Ų | 69.2 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.8 | -43.4 | -177.7 | 178.3 | -100.4 | 0 | 0 | 0 | 112.4 | L583 R584 V585 | Y581-L583 VanDerWaalsContact C-N 3.35Å; Y581-L583 PolarHBondContact O-N 2.92Å; Y581-R584 PolarHBondContact O-N 3.01Å; Y581-V585 HydrophobicContact CD1-CG2 4.18Å; Y581-V585 HydrophobicContact CD2-CG2 4.41Å; Y581-V585 HydrophobicContact CE1-CG2 3.71Å; Y581-V585 HydrophobicContact CE2-CG2 3.96Å; Y581-V585 WeakPolarHBondContact O-CG2 3.49Å; Y581-V585 PolarHBondContact O-N 3.39Å |
| 582 | G | 89.4 | Confident | 90.5 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S580 V585 F586 | S580-G582 VanDerWaalsContact C-N 3.3Å; S580-G582 PolarHBondContact O-N 3.43Å; G582-V585 PolarHBondContact O-N 3.29Å; G582-F586 WeakPolarHBondContact O-CB 3.32Å; G582-F586 PolarHBondContact O-N 3.48Å |
| 583 | L | 89.6 | Confident | 90.7 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 178.1 | -167.3 | 67.3 | 0 | 0 | 0 | 111.7 | S580 Y581 F586 F587 V722 V726 | S580-L583 PolarHBondContact O-N 3.02Å; S580-L583 VanDerWaalsContact O-N 3.12Å; S580-L583 WeakPolarHBondContact OG-CB 3.47Å; S580-L583 PolarHBondContact OG-N 2.74Å; Y581-L583 VanDerWaalsContact C-N 3.35Å; Y581-L583 PolarHBondContact O-N 2.92Å; L583-F586 PolarHBondContact O-N 3.1Å; L583-F587 WeakPolarHBondContact O-CB 3.45Å; L583-F587 PolarHBondContact O-N 2.93Å; L583-V722 HydrophobicContact CD1-CG1 3.65Å; L583-V722 HydrophobicContact CG-CG1 4.18Å; L583-V726 HydrophobicContact CD2-CG2 3.66Å; L583-V726 HydrophobicContact CG-CG2 4.03Å |
| 584 | R | 91.2 | Very high | 90.8 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -47.7 | 175 | -65.4 | -170.5 | -65.5 | -146.9 | -4.2 | 112 | I573 L576 C579 S580 Y581 F586 F587 V588 | I573-R584 HydrophobicContact CD1-CG 4.29Å; I573-R584 HydrophobicContact CG1-CB 4.38Å; I573-R584 HydrophobicContact CG1-CG 4.08Å; I573-R584 WeakPolarHBondContact O-CD 3.27Å; L576-R584 PolarHBondContact O-NH1 3.32Å; C579-R584 HydrophobicContact CB-CG 3.96Å; S580-R584 PolarHBondContact O-N 3.49Å; Y581-R584 PolarHBondContact O-N 3.01Å; R584-F586 VanDerWaalsContact C-N 3.34Å; R584-F586 PolarHBondContact O-N 3.17Å; R584-F587 PolarHBondContact O-N 3.4Å; R584-V588 WeakPolarHBondContact O-CG2 3.06Å; R584-V588 PolarHBondContact O-N 3.23Å |
| 585 | V | 93.5 | Very high | 91 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | Y581 G582 F587 V588 T589 | Y581-V585 HydrophobicContact CD1-CG2 4.18Å; Y581-V585 HydrophobicContact CD2-CG2 4.41Å; Y581-V585 HydrophobicContact CE1-CG2 3.71Å; Y581-V585 HydrophobicContact CE2-CG2 3.96Å; Y581-V585 WeakPolarHBondContact O-CG2 3.49Å; Y581-V585 PolarHBondContact O-N 3.39Å; G582-V585 PolarHBondContact O-N 3.29Å; V585-F587 PolarHBondContact O-N 3.29Å; V585-V588 PolarHBondContact O-N 2.84Å; V585-T589 PolarHBondContact O-N 3.04Å; V585-T589 PolarHBondContact O-OG1 3.05Å |
| 586 | F | 94.7 | Very high | 91.1 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 180 | -173.4 | -129.6 | 0 | 0 | 0 | 112.6 | G582 L583 R584 V588 T589 L590 V722 | G582-F586 WeakPolarHBondContact O-CB 3.32Å; G582-F586 PolarHBondContact O-N 3.48Å; L583-F586 PolarHBondContact O-N 3.1Å; R584-F586 VanDerWaalsContact C-N 3.34Å; R584-F586 PolarHBondContact O-N 3.17Å; F586-V588 PolarHBondContact O-N 2.83Å; F586-T589 PolarHBondContact O-N 3.2Å; F586-L590 HydrophobicContact CD1-CD1 4.19Å; F586-L590 HydrophobicContact CE1-CD1 3.87Å; F586-L590 HydrophobicContact CE2-CD1 4.3Å; F586-L590 HydrophobicContact CE2-CD2 4.41Å; F586-L590 HydrophobicContact CE2-CG 4.3Å; F586-L590 HydrophobicContact CZ-CD1 3.92Å; F586-L590 HydrophobicContact CZ-CD2 4.42Å; F586-L590 HydrophobicContact CZ-CG 4.36Å; F586-L590 WeakPolarHBondContact O-CG 3.42Å; F586-L590 PolarHBondContact O-N 3.25Å; F586-V722 HydrophobicContact CD1-CG1 4.44Å; F586-V722 HydrophobicContact CD1-CG2 3.5Å; F586-V722 HydrophobicContact CE1-CG2 3.39Å |
| 587 | F | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 174.2 | -169.1 | -76.6 | 0 | 0 | 0 | 111.4 | M569 W572 I573 L583 R584 V585 T589 L590 C591 H719 V722 W723 V726 | M569-F587 HydrophobicContact CB-CE1 4.25Å; M569-F587 HydrophobicContact CE-CZ 3.85Å; W572-F587 HydrophobicContact CZ3-CZ 4.22Å; I573-F587 HydrophobicContact CB-CD1 3.93Å; I573-F587 HydrophobicContact CB-CE1 4.15Å; I573-F587 HydrophobicContact CB-CG 4.3Å; I573-F587 HydrophobicContact CG1-CB 4.09Å; I573-F587 HydrophobicContact CG1-CD1 4.13Å; I573-F587 HydrophobicContact CG1-CD2 4.47Å; I573-F587 HydrophobicContact CG1-CG 3.99Å; I573-F587 HydrophobicContact CG2-CB 4.49Å; I573-F587 HydrophobicContact CG2-CD1 3.51Å; I573-F587 HydrophobicContact CG2-CE1 3.96Å; I573-F587 HydrophobicContact CG2-CG 4.18Å; L583-F587 WeakPolarHBondContact O-CB 3.45Å; L583-F587 PolarHBondContact O-N 2.93Å; R584-F587 PolarHBondContact O-N 3.4Å; V585-F587 PolarHBondContact O-N 3.29Å; F587-T589 VanDerWaalsContact C-N 3.33Å; F587-T589 PolarHBondContact O-N 3.07Å; F587-L590 PolarHBondContact O-N 3.22Å; F587-C591 PolarHBondContact O-N 3.44Å; F587-C591 PolarHBondContact O-SG 3.13Å; F587-H719 AromaticContact CD1-NE2 3.97Å; F587-H719 AromaticContact CE1-NE2 3.43Å; F587-H719 WeakPolarHBondContact CE1-NE2 3.41Å; F587-H719 AromaticContact CE2-CD2 3.74Å; F587-H719 AromaticContact CE2-NE2 3.5Å; F587-H719 WeakPolarHBondContact CE2-NE2 3.1Å; F587-H719 AromaticContact CZ-CD2 3.93Å; F587-H719 AromaticContact CZ-NE2 3.18Å; F587-H719 WeakPolarHBondContact CZ-NE2 3.18Å; F587-V722 HydrophobicContact CB-CG1 4.04Å; F587-V722 HydrophobicContact CD2-CB 4.4Å; F587-V722 HydrophobicContact CD2-CG1 3.71Å; F587-V722 HydrophobicContact CG-CG1 4.36Å; F587-W723 HydrophobicContact CE2-CB 4.21Å; F587-V726 HydrophobicContact CD2-CG2 4.37Å |
| 588 | V | 95.4 | Very high | 91.6 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | A570 I573 R584 V585 F586 L590 C591 I592 | A570-V588 HydrophobicContact CB-CG2 4.43Å; I573-V588 HydrophobicContact CG2-CG2 3.9Å; R584-V588 WeakPolarHBondContact O-CG2 3.06Å; R584-V588 PolarHBondContact O-N 3.23Å; V585-V588 PolarHBondContact O-N 2.84Å; F586-V588 PolarHBondContact O-N 2.83Å; V588-L590 VanDerWaalsContact C-N 3.35Å; V588-C591 WeakPolarHBondContact O-CB 3.43Å; V588-C591 PolarHBondContact O-N 2.87Å; V588-I592 HydrophobicContact CG1-CD1 4.1Å; V588-I592 WeakPolarHBondContact O-CG1 3.08Å; V588-I592 PolarHBondContact O-N 3.38Å |
| 589 | T | 96.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | V585 F586 F587 I592 A593 | V585-T589 PolarHBondContact O-N 3.04Å; V585-T589 PolarHBondContact O-OG1 3.05Å; F586-T589 PolarHBondContact O-N 3.2Å; F587-T589 VanDerWaalsContact C-N 3.33Å; F587-T589 PolarHBondContact O-N 3.07Å; T589-I592 PolarHBondContact O-N 2.87Å; T589-A593 PolarHBondContact O-N 3.32Å |
| 590 | L | 96.5 | Very high | 92 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.5 | -67.7 | 169 | 0 | 0 | 0 | 111.5 | F586 F587 V588 I592 A593 E594 I715 M718 H719 V722 | F586-L590 HydrophobicContact CD1-CD1 4.19Å; F586-L590 HydrophobicContact CE1-CD1 3.87Å; F586-L590 HydrophobicContact CE2-CD1 4.3Å; F586-L590 HydrophobicContact CE2-CD2 4.41Å; F586-L590 HydrophobicContact CE2-CG 4.3Å; F586-L590 HydrophobicContact CZ-CD1 3.92Å; F586-L590 HydrophobicContact CZ-CD2 4.42Å; F586-L590 HydrophobicContact CZ-CG 4.36Å; F586-L590 WeakPolarHBondContact O-CG 3.42Å; F586-L590 PolarHBondContact O-N 3.25Å; F587-L590 PolarHBondContact O-N 3.22Å; V588-L590 VanDerWaalsContact C-N 3.35Å; L590-I592 PolarHBondContact O-N 3.3Å; L590-A593 PolarHBondContact O-N 2.88Å; L590-E594 WeakPolarHBondContact O-CG 3.39Å; L590-E594 PolarHBondContact O-N 3Å; L590-I715 HydrophobicContact CD2-CG2 4.07Å; L590-M718 HydrophobicContact CD1-CB 4.27Å; L590-M718 HydrophobicContact CD2-CB 4.15Å; L590-H719 HydrophobicContact CB-CB 4.19Å; L590-H719 HydrophobicContact CD1-CB 4.24Å; L590-V722 HydrophobicContact CD1-CB 4.45Å; L590-V722 HydrophobicContact CD1-CG2 3.85Å |
| 591 | C | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55 | -48.7 | 171.7 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | I566 A570 F587 V588 A593 E594 C595 H719 | I566-C591 HydrophobicContact CG2-CB 3.45Å; I566-C591 VanDerWaalsContact CG2-CB 3.45Å; I566-C591 WeakPolarHBondContact CG2-O 3.47Å; A570-C591 HydrophobicContact CB-CB 4.35Å; F587-C591 PolarHBondContact O-N 3.44Å; F587-C591 PolarHBondContact O-SG 3.13Å; V588-C591 WeakPolarHBondContact O-CB 3.43Å; V588-C591 PolarHBondContact O-N 2.87Å; C591-A593 VanDerWaalsContact C-N 3.32Å; C591-A593 PolarHBondContact O-N 2.87Å; C591-E594 PolarHBondContact O-N 3.11Å; C591-C595 PolarHBondContact O-N 3.08Å; C591-C595 VanDerWaalsContact O-N 3.08Å; C591-C595 PolarHBondContact O-SG 3Å; C591-C595 VanDerWaalsContact O-SG 3.34Å; C591-H719 VanDerWaalsContact SG-CE1 3.58Å |
| 592 | I | 94.6 | Very high | 90.6 | Very high | 108 Ų | 108 | 49 Ų | 49 | 55% | 0.554 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 179.2 | -67.4 | 166.7 | 0 | 0 | 0 | 110.8 | V588 T589 L590 C595 L596 | V588-I592 HydrophobicContact CG1-CD1 4.1Å; V588-I592 WeakPolarHBondContact O-CG1 3.08Å; V588-I592 PolarHBondContact O-N 3.38Å; T589-I592 PolarHBondContact O-N 2.87Å; L590-I592 PolarHBondContact O-N 3.3Å; I592-C595 WeakPolarHBondContact O-CB 3.14Å; I592-C595 PolarHBondContact O-N 3.35Å; I592-L596 PolarHBondContact O-N 3.25Å |
| 593 | A | 94.6 | Very high | 89.5 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T589 L590 C591 C595 L596 F597 I715 | T589-A593 PolarHBondContact O-N 3.32Å; L590-A593 PolarHBondContact O-N 2.88Å; C591-A593 VanDerWaalsContact C-N 3.32Å; C591-A593 PolarHBondContact O-N 2.87Å; A593-C595 PolarHBondContact O-N 2.59Å; A593-L596 WeakPolarHBondContact O-CB 3.32Å; A593-L596 PolarHBondContact O-N 2.96Å; A593-F597 WeakPolarHBondContact O-CD2 3.36Å; A593-F597 WeakPolarHBondContact O-CE2 3.31Å; A593-I715 HydrophobicContact CB-CD1 4.22Å; A593-I715 HydrophobicContact CB-CG2 4.08Å |
| 594 | E | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.7 | -74.1 | 177.9 | 171 | 0 | 0 | 112.8 | I566 L590 C591 L596 F597 T598 I715 H719 L770 | I566-E594 HydrophobicContact CD1-CB 3.99Å; L590-E594 WeakPolarHBondContact O-CG 3.39Å; L590-E594 PolarHBondContact O-N 3Å; C591-E594 PolarHBondContact O-N 3.11Å; E594-L596 PolarHBondContact O-N 3.27Å; E594-F597 PolarHBondContact O-N 3.1Å; E594-F597 VanDerWaalsContact O-N 3.09Å; E594-T598 PolarHBondContact O-N 3.14Å; E594-I715 HydrophobicContact CG-CG2 3.83Å; E594-H719 WeakPolarHBondContact OE1-CB 3.46Å; E594-H719 IonicContact OE1-CG 3.75Å; E594-H719 IonicContact OE1-ND1 2.6Å; E594-H719 PolarHBondContact OE1-ND1 2.65Å; E594-H719 IonicContact OE2-CE1 3.54Å; E594-H719 PolarHBondContact OE2-CE1 3.44Å; E594-H719 IonicContact OE2-ND1 2.99Å; E594-H719 PolarHBondContact OE2-ND1 3.26Å; E594-L770 VanDerWaalsContact CD-CD2 3.45Å; E594-L770 HydrophobicContact CG-CD2 4.32Å; E594-L770 VanDerWaalsContact OE2-CD2 3.28Å; E594-L770 WeakPolarHBondContact OE2-CD2 3.33Å |
| 595 | C | 93.1 | Very high | 87.1 | Confident | 24 Ų | 24 | 51 Ų | 51 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.9 | -37.8 | 176 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | I563 I566 C591 I592 A593 F597 T598 L599 | I563-C595 HydrophobicContact CG1-CB 4.3Å; I566-C595 VanDerWaalsContact CG2-SG 3.56Å; C591-C595 PolarHBondContact O-N 3.08Å; C591-C595 VanDerWaalsContact O-N 3.08Å; C591-C595 PolarHBondContact O-SG 3Å; C591-C595 VanDerWaalsContact O-SG 3.34Å; I592-C595 WeakPolarHBondContact O-CB 3.14Å; I592-C595 PolarHBondContact O-N 3.35Å; A593-C595 PolarHBondContact O-N 2.59Å; C595-F597 VanDerWaalsContact C-N 3.34Å; C595-F597 PolarHBondContact O-N 2.76Å; C595-T598 PolarHBondContact O-N 3.43Å; C595-T598 PolarHBondContact O-OG1 3.19Å; C595-L599 PolarHBondContact O-N 3.35Å |
| 596 | L | 91.6 | Very high | 86.1 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 56% | 0.56 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.1 | -44.3 | 178.3 | -63.5 | 173 | 0 | 0 | 0 | 111.5 | I592 A593 E594 T598 L599 L600 | I592-L596 PolarHBondContact O-N 3.25Å; A593-L596 WeakPolarHBondContact O-CB 3.32Å; A593-L596 PolarHBondContact O-N 2.96Å; E594-L596 PolarHBondContact O-N 3.27Å; L596-T598 VanDerWaalsContact C-N 3.31Å; L596-T598 PolarHBondContact O-N 3.08Å; L596-L599 PolarHBondContact O-N 3.32Å; L596-L599 VanDerWaalsContact O-N 3.16Å; L596-L600 WeakPolarHBondContact O-CG 3.38Å; L596-L600 PolarHBondContact O-N 2.98Å |
| 597 | F | 90.2 | Very high | 85.5 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -31.9 | -179.9 | -60 | -72.2 | 0 | 0 | 0 | 112.8 | R559 A593 E594 C595 L599 L600 Y708 L711 F712 I715 | R559-F597 VanDerWaalsContact CZ-O 3.31Å; R559-F597 PolarHBondContact NH1-O 3.4Å; R559-F597 VanDerWaalsContact NH1-O 3.14Å; R559-F597 PolarHBondContact NH2-O 3.37Å; A593-F597 WeakPolarHBondContact O-CD2 3.36Å; A593-F597 WeakPolarHBondContact O-CE2 3.31Å; E594-F597 PolarHBondContact O-N 3.1Å; E594-F597 VanDerWaalsContact O-N 3.09Å; C595-F597 VanDerWaalsContact C-N 3.34Å; C595-F597 PolarHBondContact O-N 2.76Å; F597-L599 PolarHBondContact O-N 3.16Å; F597-L600 HydrophobicContact CD1-CD1 4.2Å; F597-L600 PolarHBondContact O-N 3.33Å; F597-Y708 HydrophobicContact CB-CE2 4.44Å; F597-Y708 AromaticContact CD1-CD2 3.4Å; F597-Y708 HydrophobicContact CD1-CD2 3.4Å; F597-Y708 AromaticContact CD1-CE2 3.78Å; F597-Y708 HydrophobicContact CD1-CE2 3.78Å; F597-Y708 HydrophobicContact CD1-CG 4.16Å; F597-Y708 AromaticContact CE1-CD2 3.86Å; F597-Y708 HydrophobicContact CE1-CD2 3.86Å; F597-Y708 HydrophobicContact CE1-CG 4.34Å; F597-L711 HydrophobicContact CE1-CD2 4.31Å; F597-L711 HydrophobicContact CE1-CG 4.45Å; F597-L711 HydrophobicContact CZ-CB 4.47Å; F597-L711 HydrophobicContact CZ-CD2 3.96Å; F597-L711 HydrophobicContact CZ-CG 3.92Å; F597-F712 HydrophobicContact CB-CD2 4.04Å; F597-F712 HydrophobicContact CD1-CB 4.02Å; F597-F712 HydrophobicContact CD2-CB 4.3Å; F597-F712 HydrophobicContact CD2-CD2 4.01Å; F597-F712 HydrophobicContact CE1-CB 4.19Å; F597-F712 HydrophobicContact CE2-CB 4.49Å; F597-F712 HydrophobicContact CG-CB 4.06Å; F597-F712 HydrophobicContact CG-CD2 4.03Å; F597-F712 HydrophobicContact CG-CG 4.5Å; F597-F712 HydrophobicContact CZ-CB 4.44Å; F597-I715 HydrophobicContact CE2-CD1 3.51Å; F597-I715 HydrophobicContact CZ-CD1 3.73Å |
| 598 | T | 87.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -17 | 176.7 | 71 | 0 | 0 | 0 | 0 | 113.4 | R559 L562 I563 I566 E594 C595 L596 L770 | R559-T598 VanDerWaalsContact CZ-O 3.26Å; R559-T598 PolarHBondContact NE-O 3.13Å; R559-T598 VanDerWaalsContact NE-O 3.08Å; R559-T598 PolarHBondContact NH2-O 3.21Å; L562-T598 HydrophobicContact CB-CG2 3.85Å; L562-T598 HydrophobicContact CD1-CG2 4.12Å; I563-T598 WeakPolarHBondContact CD1-OG1 3.26Å; I563-T598 WeakPolarHBondContact CG1-OG1 3.47Å; I566-T598 HydrophobicContact CD1-CG2 4.21Å; E594-T598 PolarHBondContact O-N 3.14Å; C595-T598 PolarHBondContact O-N 3.43Å; C595-T598 PolarHBondContact O-OG1 3.19Å; L596-T598 VanDerWaalsContact C-N 3.31Å; L596-T598 PolarHBondContact O-N 3.08Å; T598-L770 HydrophobicContact CG2-CD1 4.5Å |
| 599 | L | 88.4 | Confident | 85 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 59% | 0.586 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -94.5 | -20.4 | 177.7 | -64.1 | 172.9 | 0 | 0 | 0 | 113.5 | H560 I563 C595 L596 F597 | H560-L599 HydrophobicContact CB-CD2 4.17Å; I563-L599 HydrophobicContact CD1-CD1 4.33Å; I563-L599 HydrophobicContact CD1-CD2 3.65Å; I563-L599 HydrophobicContact CD1-CG 3.92Å; C595-L599 PolarHBondContact O-N 3.35Å; L596-L599 PolarHBondContact O-N 3.32Å; L596-L599 VanDerWaalsContact O-N 3.16Å; F597-L599 PolarHBondContact O-N 3.16Å |
| 600 | L | 85.7 | Confident | 84.8 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -82 | 129.2 | -175 | -67.7 | 174.7 | 0 | 0 | 0 | 113.2 | R559 L596 F597 V602 Y708 | R559-L600 PolarHBondContact NH1-O 3.14Å; R559-L600 PolarHBondContact NH2-O 3.29Å; L596-L600 WeakPolarHBondContact O-CG 3.38Å; L596-L600 PolarHBondContact O-N 2.98Å; F597-L600 HydrophobicContact CD1-CD1 4.2Å; F597-L600 PolarHBondContact O-N 3.33Å; L600-V602 PolarHBondContact O-N 3.49Å; L600-Y708 HydrophobicContact CB-CD1 4.38Å; L600-Y708 HydrophobicContact CB-CE1 3.61Å; L600-Y708 HydrophobicContact CD1-CD1 3.8Å; L600-Y708 HydrophobicContact CD1-CD2 4.44Å; L600-Y708 HydrophobicContact CD1-CE1 3.86Å; L600-Y708 HydrophobicContact CD1-CE2 4.49Å; L600-Y708 HydrophobicContact CD1-CG 4.11Å; L600-Y708 HydrophobicContact CG-CE1 4.37Å; L600-Y708 PolarHBondContact O-OH 3.45Å; L600-Y708 VanDerWaalsContact O-OH 3.1Å |
| 601 | P | 77 | Confident | 84.6 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | trans | -59 | 135 | -175.5 | 26.8 | -35.4 | 0 | 0 | 0 | 112.2 | Q605 | P601-Q605 HydrophobicContact CG-CG 4.46Å; P601-Q605 PolarHBondContact O-OE1 3.19Å | ||
| 602 | V | 70 | Confident | 84.6 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -100.4 | -35.4 | 173.4 | -162.3 | 0 | 0 | 0 | 0 | 112.7 | L600 | L600-V602 PolarHBondContact O-N 3.49Š| ||
| 603 | V | 66 | Low | 84.6 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -98.5 | 134.8 | -177.4 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | Q605 N777 | V603-Q605 PolarHBondContact O-N 3.25Å; V603-N777 HydrophobicContact CG2-CB 4.29Å |
| 604 | G | 62.2 | Low | 84.6 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 70.9 | 11 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 605 | Q | 68.2 | Low | 84.7 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 135.6 | 172.8 | -162.7 | -157.5 | -45.5 | 0 | 0 | 109.6 | P601 V603 S707 | P601-Q605 HydrophobicContact CG-CG 4.46Å; P601-Q605 PolarHBondContact O-OE1 3.19Å; V603-Q605 PolarHBondContact O-N 3.25Å; Q605-S707 PolarHBondContact NE2-OG 3.22Å; Q605-S707 PolarHBondContact OE1-OG 3.36Å |
| 606 | Q | 72.3 | Confident | 84.9 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 72% | 0.724 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -59 | 128.1 | 162.9 | -69.5 | -72.5 | -18.6 | 0 | 0 | 109.5 | R608 | Q606-R608 PolarHBondContact O-N 2.98Š|
| 607 | P | 82.3 | Confident | 85.1 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 23% | 0.234 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 135.9 | 175.2 | -28.8 | 36.7 | 0 | 0 | 0 | 112 | Y609 D785 | P607-Y609 HydrophobicContact CB-CD2 4.14Å; P607-Y609 HydrophobicContact CB-CE1 4.34Å; P607-Y609 HydrophobicContact CB-CE2 3.47Å; P607-Y609 VanDerWaalsContact CB-CE2 3.47Å; P607-Y609 HydrophobicContact CG-CE2 4.43Å; P607-D785 WeakPolarHBondContact CG-OD2 3.35Å |
| 608 | R | 88.6 | Confident | 85.4 | Confident | 137 Ų | 137 | 65.9 Ų | 65.9 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | trans | -124.1 | 70.7 | -179.7 | -74 | -163.3 | -179.2 | -136.8 | 3.5 | 110.7 | Q606 D610 L611 V706 | Q606-R608 PolarHBondContact O-N 2.98Å; R608-D610 VanDerWaalsContact CA-OD1 3.24Å; R608-D610 WeakPolarHBondContact CA-OD1 3.16Å; R608-D610 WeakPolarHBondContact CB-OD1 3.45Å; R608-D610 PolarHBondContact O-N 3.36Å; R608-L611 HydrophobicContact CB-CD1 3.97Å; R608-L611 HydrophobicContact CB-CG 4.18Å; R608-L611 PolarHBondContact O-N 2.8Å; R608-L611 VanDerWaalsContact O-N 3.14Å; R608-V706 CarbonylContact C-O 3.47Å; R608-V706 PolarHBondContact N-O 2.95Å | ||
| 609 | Y | 91 | Very high | 85.7 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -20.4 | 179.5 | -58.2 | -64.3 | 0 | 0 | 0 | 113.4 | P607 L611 V612 L613 V650 V654 V706 N787 | P607-Y609 HydrophobicContact CB-CD2 4.14Å; P607-Y609 HydrophobicContact CB-CE1 4.34Å; P607-Y609 HydrophobicContact CB-CE2 3.47Å; P607-Y609 VanDerWaalsContact CB-CE2 3.47Å; P607-Y609 HydrophobicContact CG-CE2 4.43Å; Y609-L611 VanDerWaalsContact C-N 3.32Å; Y609-V612 PolarHBondContact O-N 3.38Å; Y609-L613 WeakPolarHBondContact O-CB 3.3Å; Y609-L613 VanDerWaalsContact O-CG 3.28Å; Y609-L613 WeakPolarHBondContact O-CG 3.36Å; Y609-L613 PolarHBondContact O-N 3.48Å; Y609-V650 HydrophobicContact CD1-CB 4.32Å; Y609-V650 HydrophobicContact CD1-CG1 3.56Å; Y609-V650 HydrophobicContact CD2-CG1 4.19Å; Y609-V650 HydrophobicContact CE1-CB 4.47Å; Y609-V650 HydrophobicContact CE1-CG1 3.31Å; Y609-V650 HydrophobicContact CE2-CG1 3.97Å; Y609-V650 HydrophobicContact CG-CG1 4Å; Y609-V654 HydrophobicContact CE2-CB 4.07Å; Y609-V654 HydrophobicContact CE2-CG1 4.15Å; Y609-V654 HydrophobicContact CE2-CG2 3.94Å; Y609-V706 HydrophobicContact CE1-CB 4.34Å; Y609-V706 HydrophobicContact CE1-CG1 4.35Å; Y609-N787 WeakPolarHBondContact OH-CB 3.38Å |
| 610 | D | 92.4 | Very high | 86 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 170.2 | 58.3 | -48.7 | 0 | 0 | 0 | 111.8 | R608 L614 | R608-D610 VanDerWaalsContact CA-OD1 3.24Å; R608-D610 WeakPolarHBondContact CA-OD1 3.16Å; R608-D610 WeakPolarHBondContact CB-OD1 3.45Å; R608-D610 PolarHBondContact O-N 3.36Å; D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 3.28Å |
| 611 | L | 92 | Very high | 86.4 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 176.6 | -63.9 | 178.3 | 0 | 0 | 0 | 111.9 | R608 Y609 L613 L614 F615 | R608-L611 HydrophobicContact CB-CD1 3.97Å; R608-L611 HydrophobicContact CB-CG 4.18Å; R608-L611 PolarHBondContact O-N 2.8Å; R608-L611 VanDerWaalsContact O-N 3.14Å; Y609-L611 VanDerWaalsContact C-N 3.32Å; L611-L613 VanDerWaalsContact C-N 3.35Å; L611-L613 PolarHBondContact O-N 3.26Å; L611-L614 PolarHBondContact O-N 2.78Å; L611-F615 WeakPolarHBondContact O-CB 3.38Å; L611-F615 PolarHBondContact O-N 3.01Å |
| 612 | V | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | Y609 F615 C616 M647 T702 S707 P710 | Y609-V612 PolarHBondContact O-N 3.38Å; V612-F615 WeakPolarHBondContact O-CB 3.28Å; V612-F615 PolarHBondContact O-N 3.42Å; V612-C616 PolarHBondContact O-N 3.26Å; V612-C616 PolarHBondContact O-SG 2.93Å; V612-M647 HydrophobicContact CB-CE 4.42Å; V612-M647 HydrophobicContact CG1-CE 3.71Å; V612-T702 HydrophobicContact CG1-CG2 4.09Å; V612-S707 WeakPolarHBondContact CG2-O 3.36Å; V612-P710 HydrophobicContact CG1-CG 4.42Å |
| 613 | L | 95.2 | Very high | 88.4 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 178 | -75.3 | 171.5 | 0 | 0 | 0 | 111.9 | Y609 L611 F615 C616 F617 M647 P651 | Y609-L613 WeakPolarHBondContact O-CB 3.3Å; Y609-L613 VanDerWaalsContact O-CG 3.28Å; Y609-L613 WeakPolarHBondContact O-CG 3.36Å; Y609-L613 PolarHBondContact O-N 3.48Å; L611-L613 VanDerWaalsContact C-N 3.35Å; L611-L613 PolarHBondContact O-N 3.26Å; L613-F615 VanDerWaalsContact C-N 3.27Å; L613-F615 PolarHBondContact O-N 3.36Å; L613-C616 WeakPolarHBondContact O-CB 3.49Å; L613-C616 PolarHBondContact O-N 3.05Å; L613-C616 VanDerWaalsContact O-N 3.07Å; L613-F617 HydrophobicContact CB-CE2 4.46Å; L613-F617 WeakPolarHBondContact O-CD2 3.36Å; L613-F617 PolarHBondContact O-N 3.44Å; L613-M647 HydrophobicContact CD2-CB 3.85Å; L613-P651 HydrophobicContact CD1-CG 3.85Å |
| 614 | L | 95.6 | Very high | 89.7 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 57% | 0.571 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.2 | -46.4 | 174.6 | 177.8 | 62.1 | 0 | 0 | 0 | 110.9 | D610 L611 C616 F617 V618 | D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 3.28Å; L611-L614 PolarHBondContact O-N 2.78Å; L614-C616 PolarHBondContact O-N 3.38Å; L614-F617 PolarHBondContact O-N 2.83Å; L614-V618 HydrophobicContact CD1-CG2 4.36Å; L614-V618 WeakPolarHBondContact O-CG2 3.46Å; L614-V618 PolarHBondContact O-N 3.27Å |
| 615 | F | 95.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.088 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 173.9 | 174.2 | -90.6 | 0 | 0 | 0 | 111.9 | L611 V612 L613 F617 V618 W619 L698 T702 P710 L711 V714 | L611-F615 WeakPolarHBondContact O-CB 3.38Å; L611-F615 PolarHBondContact O-N 3.01Å; V612-F615 WeakPolarHBondContact O-CB 3.28Å; V612-F615 PolarHBondContact O-N 3.42Å; L613-F615 VanDerWaalsContact C-N 3.27Å; L613-F615 PolarHBondContact O-N 3.36Å; F615-F617 VanDerWaalsContact C-N 3.29Å; F615-F617 PolarHBondContact O-N 2.96Å; F615-V618 PolarHBondContact O-N 3.07Å; F615-W619 HydrophobicContact CD1-CB 4.5Å; F615-W619 HydrophobicContact CE1-CB 4.11Å; F615-W619 HydrophobicContact CE1-CG 4.27Å; F615-W619 HydrophobicContact CE2-CE3 4.19Å; F615-W619 HydrophobicContact CZ-CB 4.19Å; F615-W619 HydrophobicContact CZ-CD2 4.08Å; F615-W619 HydrophobicContact CZ-CE3 4.2Å; F615-W619 HydrophobicContact CZ-CG 4.08Å; F615-W619 VanDerWaalsContact O-CB 3.27Å; F615-W619 WeakPolarHBondContact O-CB 3.25Å; F615-W619 PolarHBondContact O-N 2.96Å; F615-L698 HydrophobicContact CE1-CD1 4.05Å; F615-L698 HydrophobicContact CE1-CD2 4.21Å; F615-L698 HydrophobicContact CE1-CG 4.42Å; F615-L698 HydrophobicContact CZ-CD1 3.91Å; F615-L698 HydrophobicContact CZ-CD2 3.87Å; F615-L698 HydrophobicContact CZ-CG 4.39Å; F615-T702 HydrophobicContact CD1-CG2 4.4Å; F615-P710 HydrophobicContact CD1-CB 3.39Å; F615-P710 HydrophobicContact CD1-CG 4.22Å; F615-P710 HydrophobicContact CD2-CB 4.18Å; F615-P710 HydrophobicContact CE1-CB 3.28Å; F615-P710 HydrophobicContact CE1-CG 4.42Å; F615-P710 HydrophobicContact CE2-CB 4.07Å; F615-P710 HydrophobicContact CG-CB 3.85Å; F615-P710 HydrophobicContact CZ-CB 3.64Å; F615-L711 HydrophobicContact CD2-CB 4.24Å; F615-V714 HydrophobicContact CE2-CG2 3.78Å; F615-V714 HydrophobicContact CZ-CG2 3.72Å |
| 616 | C | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.5 | -42 | 179.5 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | V612 L613 L614 C620 T644 T702 | V612-C616 PolarHBondContact O-N 3.26Å; V612-C616 PolarHBondContact O-SG 2.93Å; L613-C616 WeakPolarHBondContact O-CB 3.49Å; L613-C616 PolarHBondContact O-N 3.05Å; L613-C616 VanDerWaalsContact O-N 3.07Å; L614-C616 PolarHBondContact O-N 3.38Å; C616-C620 WeakPolarHBondContact O-CB 3.45Å; C616-C620 PolarHBondContact O-N 3.36Å; C616-T644 HydrophobicContact CB-CG2 3.87Å; C616-T644 WeakPolarHBondContact CB-OG1 3.45Å; C616-T644 PolarHBondContact O-OG1 3.24Å; C616-T702 WeakPolarHBondContact SG-CG2 3.43Å |
| 617 | F | 96 | Very high | 93.3 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.6 | -48.3 | 177.4 | -74.6 | -67.1 | 0 | 0 | 0 | 112.4 | L613 L614 F615 W619 C620 F621 T644 | L613-F617 HydrophobicContact CB-CE2 4.46Å; L613-F617 WeakPolarHBondContact O-CD2 3.36Å; L613-F617 PolarHBondContact O-N 3.44Å; L614-F617 PolarHBondContact O-N 2.83Å; F615-F617 VanDerWaalsContact C-N 3.29Å; F615-F617 PolarHBondContact O-N 2.96Å; F617-W619 VanDerWaalsContact C-N 3.32Å; F617-W619 PolarHBondContact O-N 2.72Å; F617-C620 PolarHBondContact O-N 2.85Å; F617-F621 PolarHBondContact O-N 2.87Å; F617-T644 HydrophobicContact CD1-CG2 4.03Å; F617-T644 HydrophobicContact CE1-CG2 3.83Å; F617-T644 HydrophobicContact CE2-CG2 4.47Å; F617-T644 HydrophobicContact CG-CG2 4.43Å; F617-T644 HydrophobicContact CZ-CG2 4.05Å |
| 618 | V | 95.7 | Very high | 93.7 | Very high | 89 Ų | 89 | 64 Ų | 64 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L614 F615 F621 L622 | L614-V618 HydrophobicContact CD1-CG2 4.36Å; L614-V618 WeakPolarHBondContact O-CG2 3.46Å; L614-V618 PolarHBondContact O-N 3.27Å; F615-V618 PolarHBondContact O-N 3.07Å; V618-F621 PolarHBondContact O-N 3.31Å; V618-L622 PolarHBondContact O-N 3.27Å |
| 619 | W | 95.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.8 | -35.6 | -178.6 | -159.5 | -100.6 | 0 | 0 | 0 | 112.9 | F615 F617 F621 L622 T623 F695 L698 V714 | F615-W619 HydrophobicContact CD1-CB 4.5Å; F615-W619 HydrophobicContact CE1-CB 4.11Å; F615-W619 HydrophobicContact CE1-CG 4.27Å; F615-W619 HydrophobicContact CE2-CE3 4.19Å; F615-W619 HydrophobicContact CZ-CB 4.19Å; F615-W619 HydrophobicContact CZ-CD2 4.08Å; F615-W619 HydrophobicContact CZ-CE3 4.2Å; F615-W619 HydrophobicContact CZ-CG 4.08Å; F615-W619 VanDerWaalsContact O-CB 3.27Å; F615-W619 WeakPolarHBondContact O-CB 3.25Å; F615-W619 PolarHBondContact O-N 2.96Å; F617-W619 VanDerWaalsContact C-N 3.32Å; F617-W619 PolarHBondContact O-N 2.72Å; W619-F621 VanDerWaalsContact C-N 3.35Å; W619-L622 HydrophobicContact CD2-CD2 4.44Å; W619-L622 HydrophobicContact CE3-CD2 3.83Å; W619-L622 HydrophobicContact CH2-CD2 3.9Å; W619-L622 HydrophobicContact CZ2-CD2 4.49Å; W619-L622 HydrophobicContact CZ3-CD2 3.51Å; W619-L622 PolarHBondContact O-N 3.4Å; W619-T623 WeakPolarHBondContact O-CB 3.16Å; W619-T623 PolarHBondContact O-N 3.12Å; W619-T623 PolarHBondContact O-OG1 3.24Å; W619-F695 AromaticContact CE2-CE1 3.68Å; W619-F695 HydrophobicContact CH2-CZ 4.15Å; W619-F695 HydrophobicContact CZ2-CD1 4.17Å; W619-F695 HydrophobicContact CZ2-CD2 4.46Å; W619-F695 AromaticContact CZ2-CE1 3.58Å; W619-F695 HydrophobicContact CZ2-CE1 3.58Å; W619-F695 AromaticContact CZ2-CE2 3.94Å; W619-F695 HydrophobicContact CZ2-CE2 3.94Å; W619-F695 AromaticContact CZ2-CZ 3.45Å; W619-F695 HydrophobicContact CZ2-CZ 3.45Å; W619-F695 VanDerWaalsContact CZ2-CZ 3.45Å; W619-F695 AromaticContact NE1-CD1 3.6Å; W619-F695 AromaticContact NE1-CE1 3.5Å; W619-L698 HydrophobicContact CD2-CD2 3.92Å; W619-L698 HydrophobicContact CG-CD2 4.06Å; W619-L698 HydrophobicContact CZ2-CD2 3.79Å; W619-V714 HydrophobicContact CD2-CG2 4.45Å; W619-V714 HydrophobicContact CE3-CG2 4.03Å; W619-V714 HydrophobicContact CH2-CB 4.25Å; W619-V714 HydrophobicContact CH2-CG1 3.61Å; W619-V714 HydrophobicContact CH2-CG2 3.56Å; W619-V714 HydrophobicContact CZ2-CG2 4.01Å; W619-V714 HydrophobicContact CZ3-CB 4.2Å; W619-V714 HydrophobicContact CZ3-CG1 3.51Å; W619-V714 HydrophobicContact CZ3-CG2 3.59Å |
| 620 | C | 95 | Very high | 93.3 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 171.5 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | C616 F617 T623 L624 F637 Q640 T641 | C616-C620 WeakPolarHBondContact O-CB 3.45Å; C616-C620 PolarHBondContact O-N 3.36Å; F617-C620 PolarHBondContact O-N 2.85Å; C620-T623 PolarHBondContact O-N 3.41Å; C620-L624 PolarHBondContact O-N 3.32Å; C620-F637 WeakPolarHBondContact O-CD2 3.27Å; C620-F637 WeakPolarHBondContact SG-CE2 3.35Å; C620-Q640 HydrophobicContact CB-CG 3.87Å; C620-T641 PolarHBondContact SG-OG1 3.29Å |
| 621 | F | 95 | Very high | 93.1 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 55% | 0.548 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.5 | -178.4 | -104.7 | 0 | 0 | 0 | 112.6 | F617 V618 W619 T623 L624 L625 | F617-F621 PolarHBondContact O-N 2.87Å; V618-F621 PolarHBondContact O-N 3.31Å; W619-F621 VanDerWaalsContact C-N 3.35Å; F621-T623 VanDerWaalsContact C-N 3.32Å; F621-T623 PolarHBondContact O-N 2.95Å; F621-L624 HydrophobicContact CD2-CD2 4.5Å; F621-L624 WeakPolarHBondContact O-CB 3.26Å; F621-L624 PolarHBondContact O-N 3.09Å; F621-L625 HydrophobicContact CD1-CD1 4.21Å; F621-L625 HydrophobicContact CE1-CD1 3.71Å; F621-L625 HydrophobicContact CE1-CG 4.28Å; F621-L625 HydrophobicContact CZ-CD1 4.16Å; F621-L625 HydrophobicContact CZ-CD2 4.29Å; F621-L625 HydrophobicContact CZ-CG 4.37Å; F621-L625 PolarHBondContact O-N 2.79Å |
| 622 | L | 93.7 | Very high | 93 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.1 | -178.3 | 62.9 | 0 | 0 | 0 | 111.8 | V618 W619 L624 L625 L626 | V618-L622 PolarHBondContact O-N 3.27Å; W619-L622 HydrophobicContact CD2-CD2 4.44Å; W619-L622 HydrophobicContact CE3-CD2 3.83Å; W619-L622 HydrophobicContact CH2-CD2 3.9Å; W619-L622 HydrophobicContact CZ2-CD2 4.49Å; W619-L622 HydrophobicContact CZ3-CD2 3.51Å; W619-L622 PolarHBondContact O-N 3.4Å; L622-L624 VanDerWaalsContact C-N 3.3Å; L622-L624 PolarHBondContact O-N 3.14Å; L622-L625 PolarHBondContact O-N 2.93Å; L622-L626 HydrophobicContact CG-CD1 4.37Å; L622-L626 WeakPolarHBondContact O-CG 3.31Å; L622-L626 PolarHBondContact O-N 3.23Å; L622-L626 VanDerWaalsContact O-N 3.13Å |
| 623 | T | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 178.6 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | W619 C620 F621 L625 L626 I627 F633 L636 F637 F695 | W619-T623 WeakPolarHBondContact O-CB 3.16Å; W619-T623 PolarHBondContact O-N 3.12Å; W619-T623 PolarHBondContact O-OG1 3.24Å; C620-T623 PolarHBondContact O-N 3.41Å; F621-T623 VanDerWaalsContact C-N 3.32Å; F621-T623 PolarHBondContact O-N 2.95Å; T623-L625 PolarHBondContact O-N 3.21Å; T623-L626 PolarHBondContact O-N 3.5Å; T623-I627 PolarHBondContact O-N 3.47Å; T623-F633 HydrophobicContact CG2-CD1 4.3Å; T623-L636 HydrophobicContact CG2-CB 3.97Å; T623-F637 HydrophobicContact CG2-CB 3.94Å; T623-F695 HydrophobicContact CG2-CD1 4.4Å; T623-F695 HydrophobicContact CG2-CE1 4.48Å |
| 624 | L | 94.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 69.6 Ų | 69.6 | 37% | 0.366 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 172.7 | -178.8 | 62.5 | 0 | 0 | 0 | 111.9 | C620 F621 L622 L626 I627 F637 | C620-L624 PolarHBondContact O-N 3.32Å; F621-L624 HydrophobicContact CD2-CD2 4.5Å; F621-L624 WeakPolarHBondContact O-CB 3.26Å; F621-L624 PolarHBondContact O-N 3.09Å; L622-L624 VanDerWaalsContact C-N 3.3Å; L622-L624 PolarHBondContact O-N 3.14Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.37Å; L624-I627 HydrophobicContact CD1-CD1 3.9Å; L624-I627 WeakPolarHBondContact O-CB 3.48Å; L624-I627 WeakPolarHBondContact O-CG1 3.49Å; L624-I627 PolarHBondContact O-N 2.92Å; L624-F637 HydrophobicContact CB-CD2 3.79Å; L624-F637 HydrophobicContact CB-CE2 3.68Å; L624-F637 HydrophobicContact CB-CZ 4.44Å; L624-F637 HydrophobicContact CD1-CD1 4.47Å; L624-F637 HydrophobicContact CD1-CD2 4.31Å; L624-F637 HydrophobicContact CD1-CE1 4.18Å; L624-F637 HydrophobicContact CD1-CE2 4.02Å; L624-F637 HydrophobicContact CD1-CZ 3.95Å; L624-F637 HydrophobicContact CD2-CE2 4.44Å; L624-F637 HydrophobicContact CG-CE2 4.26Å |
| 625 | L | 94.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 45% | 0.445 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.4 | -32.8 | 177.5 | -63.1 | 177.8 | 0 | 0 | 0 | 112.3 | F621 L622 T623 I627 F628 | F621-L625 HydrophobicContact CD1-CD1 4.21Å; F621-L625 HydrophobicContact CE1-CD1 3.71Å; F621-L625 HydrophobicContact CE1-CG 4.28Å; F621-L625 HydrophobicContact CZ-CD1 4.16Å; F621-L625 HydrophobicContact CZ-CD2 4.29Å; F621-L625 HydrophobicContact CZ-CG 4.37Å; F621-L625 PolarHBondContact O-N 2.79Å; L622-L625 PolarHBondContact O-N 2.93Å; T623-L625 PolarHBondContact O-N 3.21Å; L625-I627 PolarHBondContact O-N 3.42Å; L625-F628 WeakPolarHBondContact O-CD2 3.48Å; L625-F628 PolarHBondContact O-N 3Å |
| 626 | L | 93.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 67 Ų | 67 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.3 | -13.6 | 179.5 | -67.9 | 171.6 | 0 | 0 | 0 | 113.6 | L622 T623 L624 F628 W629 R630 F633 F695 | L622-L626 HydrophobicContact CG-CD1 4.37Å; L622-L626 WeakPolarHBondContact O-CG 3.31Å; L622-L626 PolarHBondContact O-N 3.23Å; L622-L626 VanDerWaalsContact O-N 3.13Å; T623-L626 PolarHBondContact O-N 3.5Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.37Å; L626-F628 PolarHBondContact O-N 2.92Å; L626-W629 HydrophobicContact CD2-CE3 4.31Å; L626-W629 WeakPolarHBondContact O-CB 3.48Å; L626-W629 PolarHBondContact O-N 3.36Å; L626-R630 PolarHBondContact O-N 3.27Å; L626-F633 HydrophobicContact CB-CB 4.24Å; L626-F633 HydrophobicContact CB-CD1 3.87Å; L626-F633 HydrophobicContact CB-CD2 3.77Å; L626-F633 HydrophobicContact CB-CE1 4.12Å; L626-F633 HydrophobicContact CB-CE2 4.05Å; L626-F633 HydrophobicContact CB-CG 3.7Å; L626-F633 HydrophobicContact CB-CZ 4.22Å; L626-F633 HydrophobicContact CD1-CD1 4.29Å; L626-F633 HydrophobicContact CD1-CE1 3.89Å; L626-F633 HydrophobicContact CD1-CZ 4.15Å; L626-F633 VanDerWaalsContact O-CD2 3.23Å; L626-F633 WeakPolarHBondContact O-CD2 3.39Å; L626-F695 HydrophobicContact CD1-CE1 3.73Å; L626-F695 HydrophobicContact CD1-CE2 4.21Å; L626-F695 HydrophobicContact CD1-CZ 3.34Å |
| 627 | I | 91.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 23% | 0.226 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -35.5 | 172.5 | -59.7 | 179.6 | 0 | 0 | 0 | 111.2 | T623 L624 L625 W629 R630 F633 L634 F637 | T623-I627 PolarHBondContact O-N 3.47Å; L624-I627 HydrophobicContact CD1-CD1 3.9Å; L624-I627 WeakPolarHBondContact O-CB 3.48Å; L624-I627 WeakPolarHBondContact O-CG1 3.49Å; L624-I627 PolarHBondContact O-N 2.92Å; L625-I627 PolarHBondContact O-N 3.42Å; I627-W629 PolarHBondContact O-N 2.99Å; I627-R630 CarbonylContact O-C 3.6Å; I627-F633 HydrophobicContact CG1-CB 4.08Å; I627-L634 HydrophobicContact CD1-CB 4.46Å; I627-L634 HydrophobicContact CD1-CD1 3.96Å; I627-F637 HydrophobicContact CD1-CB 3.99Å; I627-F637 HydrophobicContact CD1-CD1 4.3Å; I627-F637 HydrophobicContact CD1-CG 4.14Å |
| 628 | F | 89.9 | Confident | 92.6 | Very high | 188 Ų | 188 | 66.4 Ų | 66.4 | 83% | 0.825 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.9 | 176.6 | -67.1 | -71.3 | 0 | 0 | 0 | 113.2 | L625 L626 | L625-F628 WeakPolarHBondContact O-CD2 3.48Å; L625-F628 PolarHBondContact O-N 3Å; L626-F628 PolarHBondContact O-N 2.92Å |
| 629 | W | 85.2 | Confident | 92.6 | Very high | 116 Ų | 116 | 62.7 Ų | 62.7 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -44.6 | 179.3 | -175.7 | 44.7 | 0 | 0 | 0 | 112.4 | L626 I627 F633 I687 | L626-W629 HydrophobicContact CD2-CE3 4.31Å; L626-W629 WeakPolarHBondContact O-CB 3.48Å; L626-W629 PolarHBondContact O-N 3.36Å; I627-W629 PolarHBondContact O-N 2.99Å; W629-F633 AromaticContact CE3-CE2 3.65Å; W629-F633 HydrophobicContact CE3-CE2 3.65Å; W629-F633 HydrophobicContact CE3-CZ 4.25Å; W629-F633 HydrophobicContact CZ3-CE2 4.02Å; W629-F633 HydrophobicContact CZ3-CZ 4.25Å; W629-I687 HydrophobicContact CH2-CG2 3.5Å; W629-I687 VanDerWaalsContact CH2-CG2 3.5Å; W629-I687 HydrophobicContact CZ2-CG2 3.91Å |
| 630 | R | 86.9 | Confident | 92.6 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | trans | -146.6 | 134.5 | 179.3 | -62.4 | -76.4 | -174.5 | -99.6 | 6.6 | 111.3 | L626 I627 Y632 F633 D688 | L626-R630 PolarHBondContact O-N 3.27Å; I627-R630 CarbonylContact O-C 3.6Å; R630-Y632 VanDerWaalsContact C-N 3.31Å; R630-Y632 HydrophobicContact CB-CD1 3.87Å; R630-Y632 HydrophobicContact CB-CD2 4.36Å; R630-Y632 HydrophobicContact CB-CE1 3.4Å; R630-Y632 VanDerWaalsContact CB-CE1 3.4Å; R630-Y632 HydrophobicContact CB-CE2 3.92Å; R630-Y632 HydrophobicContact CB-CG 4.33Å; R630-Y632 VanDerWaalsContact CB-CZ 3.42Å; R630-Y632 HydrophobicContact CG-CE1 3.68Å; R630-Y632 HydrophobicContact CG-CE2 4.48Å; R630-Y632 WeakPolarHBondContact CG-OH 3.45Å; R630-Y632 PolarHBondContact O-N 3.5Å; R630-F633 HydrophobicContact CB-CD2 3.77Å; R630-F633 HydrophobicContact CB-CE2 3.99Å; R630-F633 HydrophobicContact CG-CE2 4.38Å; R630-F633 WeakPolarHBondContact O-CB 3.4Å; R630-F633 WeakPolarHBondContact O-CD2 3.31Å; R630-F633 PolarHBondContact O-N 3.35Å; R630-F633 VanDerWaalsContact O-N 3.15Å; R630-D688 IonicContact NE-OD1 3.72Å; R630-D688 PolarHBondContact NE-OD1 3.13Å; R630-D688 VanDerWaalsContact NE-OD1 3.17Å; R630-D688 IonicContact NH2-OD1 3.58Å | ||
| 631 | T | 88.5 | Confident | 92.7 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 76% | 0.761 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.8 | -175.1 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | F633 L634 | T631-F633 PolarHBondContact O-N 2.94Å; T631-L634 WeakPolarHBondContact O-CB 3.27Å; T631-L634 PolarHBondContact O-N 3.35Å |
| 632 | Y | 88.9 | Confident | 92.8 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.4 | 177 | 58.2 | -110 | 0 | 0 | 0 | 113.2 | R630 L634 L635 L636 V682 D688 V692 | R630-Y632 VanDerWaalsContact C-N 3.31Å; R630-Y632 HydrophobicContact CB-CD1 3.87Å; R630-Y632 HydrophobicContact CB-CD2 4.36Å; R630-Y632 HydrophobicContact CB-CE1 3.4Å; R630-Y632 VanDerWaalsContact CB-CE1 3.4Å; R630-Y632 HydrophobicContact CB-CE2 3.92Å; R630-Y632 HydrophobicContact CB-CG 4.33Å; R630-Y632 VanDerWaalsContact CB-CZ 3.42Å; R630-Y632 HydrophobicContact CG-CE1 3.68Å; R630-Y632 HydrophobicContact CG-CE2 4.48Å; R630-Y632 WeakPolarHBondContact CG-OH 3.45Å; R630-Y632 PolarHBondContact O-N 3.5Å; Y632-L634 PolarHBondContact O-N 3.3Å; Y632-L635 PolarHBondContact O-N 2.86Å; Y632-L636 PolarHBondContact O-N 3Å; Y632-V682 HydrophobicContact CD1-CG1 3.8Å; Y632-V682 HydrophobicContact CD1-CG2 4.28Å; Y632-V682 HydrophobicContact CE1-CG1 3.74Å; Y632-V682 HydrophobicContact CG-CG1 4.33Å; Y632-V682 HydrophobicContact CG-CG2 4.07Å; Y632-D688 HydrophobicContact CE1-CB 4.29Å; Y632-D688 PolarHBondContact OH-OD1 3.5Å; Y632-V692 HydrophobicContact CD2-CG2 3.67Å; Y632-V692 HydrophobicContact CE2-CG2 3.42Å; Y632-V692 VanDerWaalsContact CE2-CG2 3.42Å; Y632-V692 HydrophobicContact CG-CG2 4.47Å |
| 633 | F | 91.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -17.7 | 171.1 | -76.7 | -71.1 | 0 | 0 | 0 | 112.7 | T623 L626 I627 W629 R630 T631 L635 L636 F637 F695 | T623-F633 HydrophobicContact CG2-CD1 4.3Å; L626-F633 HydrophobicContact CB-CB 4.24Å; L626-F633 HydrophobicContact CB-CD1 3.87Å; L626-F633 HydrophobicContact CB-CD2 3.77Å; L626-F633 HydrophobicContact CB-CE1 4.12Å; L626-F633 HydrophobicContact CB-CE2 4.05Å; L626-F633 HydrophobicContact CB-CG 3.7Å; L626-F633 HydrophobicContact CB-CZ 4.22Å; L626-F633 HydrophobicContact CD1-CD1 4.29Å; L626-F633 HydrophobicContact CD1-CE1 3.89Å; L626-F633 HydrophobicContact CD1-CZ 4.15Å; L626-F633 VanDerWaalsContact O-CD2 3.23Å; L626-F633 WeakPolarHBondContact O-CD2 3.39Å; I627-F633 HydrophobicContact CG1-CB 4.08Å; W629-F633 AromaticContact CE3-CE2 3.65Å; W629-F633 HydrophobicContact CE3-CE2 3.65Å; W629-F633 HydrophobicContact CE3-CZ 4.25Å; W629-F633 HydrophobicContact CZ3-CE2 4.02Å; W629-F633 HydrophobicContact CZ3-CZ 4.25Å; R630-F633 HydrophobicContact CB-CD2 3.77Å; R630-F633 HydrophobicContact CB-CE2 3.99Å; R630-F633 HydrophobicContact CG-CE2 4.38Å; R630-F633 WeakPolarHBondContact O-CB 3.4Å; R630-F633 WeakPolarHBondContact O-CD2 3.31Å; R630-F633 PolarHBondContact O-N 3.35Å; R630-F633 VanDerWaalsContact O-N 3.15Å; T631-F633 PolarHBondContact O-N 2.94Å; F633-L635 VanDerWaalsContact C-N 3.35Å; F633-L635 PolarHBondContact O-N 3.42Å; F633-L636 HydrophobicContact CD1-CB 4.47Å; F633-L636 HydrophobicContact CD1-CD1 3.63Å; F633-L636 HydrophobicContact CE1-CD1 3.89Å; F633-L636 HydrophobicContact CG-CD1 4.5Å; F633-L636 PolarHBondContact O-N 3.02Å; F633-F637 VanDerWaalsContact O-CB 3.29Å; F633-F637 WeakPolarHBondContact O-CB 3.16Å; F633-F637 PolarHBondContact O-N 3.08Å; F633-F695 HydrophobicContact CE1-CD1 4.18Å; F633-F695 HydrophobicContact CE1-CD2 4.24Å; F633-F695 HydrophobicContact CE1-CE1 4.26Å; F633-F695 HydrophobicContact CE1-CE2 4.31Å; F633-F695 HydrophobicContact CE1-CG 4.17Å; F633-F695 HydrophobicContact CE1-CZ 4.33Å |
| 634 | L | 93.4 | Very high | 93 | Very high | 98 Ų | 98 | 57.7 Ų | 57.7 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 172.5 | -179.7 | 63.3 | 0 | 0 | 0 | 111.2 | I627 T631 Y632 F637 V638 | I627-L634 HydrophobicContact CD1-CB 4.46Å; I627-L634 HydrophobicContact CD1-CD1 3.96Å; T631-L634 WeakPolarHBondContact O-CB 3.27Å; T631-L634 PolarHBondContact O-N 3.35Å; Y632-L634 PolarHBondContact O-N 3.3Å; L634-F637 PolarHBondContact O-N 3.49Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3.44Å; L634-V638 VanDerWaalsContact O-N 3.09Å |
| 635 | L | 93 | Very high | 93.1 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.1 | -37.4 | 179.2 | -170.4 | 60.4 | 0 | 0 | 0 | 111.5 | Y632 F633 F637 V638 M639 F678 | Y632-L635 PolarHBondContact O-N 2.86Å; F633-L635 VanDerWaalsContact C-N 3.35Å; F633-L635 PolarHBondContact O-N 3.42Å; L635-F637 VanDerWaalsContact C-N 3.32Å; L635-F637 PolarHBondContact O-N 2.69Å; L635-V638 PolarHBondContact O-N 2.97Å; L635-M639 HydrophobicContact CD1-CE 4.41Å; L635-M639 HydrophobicContact CD2-CE 3.91Å; L635-M639 HydrophobicContact CG-CE 3.89Å; L635-M639 WeakPolarHBondContact O-CG 3.43Å; L635-M639 PolarHBondContact O-N 3.23Å; L635-F678 HydrophobicContact CB-CE2 4Å; L635-F678 HydrophobicContact CB-CZ 4.19Å; L635-F678 HydrophobicContact CD2-CD2 3.82Å; L635-F678 HydrophobicContact CD2-CE2 3.36Å; L635-F678 HydrophobicContact CD2-CZ 4.36Å; L635-F678 HydrophobicContact CG-CE2 3.99Å |
| 636 | L | 94.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 173 | -72.6 | 170.3 | 0 | 0 | 0 | 111.8 | T623 Y632 F633 M639 Q640 F678 F695 | T623-L636 HydrophobicContact CG2-CB 3.97Å; Y632-L636 PolarHBondContact O-N 3Å; F633-L636 HydrophobicContact CD1-CB 4.47Å; F633-L636 HydrophobicContact CD1-CD1 3.63Å; F633-L636 HydrophobicContact CE1-CD1 3.89Å; F633-L636 HydrophobicContact CG-CD1 4.5Å; F633-L636 PolarHBondContact O-N 3.02Å; L636-M639 PolarHBondContact O-N 2.99Å; L636-Q640 VanDerWaalsContact O-CB 3.27Å; L636-Q640 WeakPolarHBondContact O-CB 3.26Å; L636-Q640 PolarHBondContact O-N 3.36Å; L636-F678 HydrophobicContact CD1-CE1 3.84Å; L636-F678 HydrophobicContact CD2-CD1 3.69Å; L636-F678 HydrophobicContact CD2-CE1 3.52Å; L636-F678 HydrophobicContact CD2-CZ 4.39Å; L636-F678 HydrophobicContact CG-CD1 4.15Å; L636-F678 HydrophobicContact CG-CE1 3.44Å; L636-F678 VanDerWaalsContact CG-CE1 3.44Å; L636-F678 HydrophobicContact CG-CZ 4.02Å; L636-F695 HydrophobicContact CD1-CB 3.8Å; L636-F695 HydrophobicContact CD1-CG 4.42Å; L636-F695 HydrophobicContact CD2-CB 4.18Å |
| 637 | F | 95.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.6 | 172.4 | -104.2 | 0 | 0 | 0 | 111.6 | C620 T623 L624 I627 F633 L634 L635 Q640 T641 | C620-F637 WeakPolarHBondContact O-CD2 3.27Å; C620-F637 WeakPolarHBondContact SG-CE2 3.35Å; T623-F637 HydrophobicContact CG2-CB 3.94Å; L624-F637 HydrophobicContact CB-CD2 3.79Å; L624-F637 HydrophobicContact CB-CE2 3.68Å; L624-F637 HydrophobicContact CB-CZ 4.44Å; L624-F637 HydrophobicContact CD1-CD1 4.47Å; L624-F637 HydrophobicContact CD1-CD2 4.31Å; L624-F637 HydrophobicContact CD1-CE1 4.18Å; L624-F637 HydrophobicContact CD1-CE2 4.02Å; L624-F637 HydrophobicContact CD1-CZ 3.95Å; L624-F637 HydrophobicContact CD2-CE2 4.44Å; L624-F637 HydrophobicContact CG-CE2 4.26Å; I627-F637 HydrophobicContact CD1-CB 3.99Å; I627-F637 HydrophobicContact CD1-CD1 4.3Å; I627-F637 HydrophobicContact CD1-CG 4.14Å; F633-F637 VanDerWaalsContact O-CB 3.29Å; F633-F637 WeakPolarHBondContact O-CB 3.16Å; F633-F637 PolarHBondContact O-N 3.08Å; L634-F637 PolarHBondContact O-N 3.49Å; L635-F637 VanDerWaalsContact C-N 3.32Å; L635-F637 PolarHBondContact O-N 2.69Å; F637-Q640 PolarHBondContact O-N 3.15Å; F637-T641 WeakPolarHBondContact O-CB 3.46Å; F637-T641 PolarHBondContact O-N 3.07Å; F637-T641 PolarHBondContact O-OG1 2.83Å |
| 638 | V | 95.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L634 L635 Q640 T641 I642 | L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3.44Å; L634-V638 VanDerWaalsContact O-N 3.09Å; L635-V638 PolarHBondContact O-N 2.97Å; V638-Q640 VanDerWaalsContact C-N 3.33Å; V638-Q640 PolarHBondContact O-N 3.23Å; V638-T641 WeakPolarHBondContact O-CB 3.5Å; V638-T641 PolarHBondContact O-N 3.28Å; V638-I642 HydrophobicContact CG1-CD1 4.14Å; V638-I642 WeakPolarHBondContact O-CG1 3.4Å; V638-I642 PolarHBondContact O-N 2.76Å |
| 639 | M | 96 | Very high | 93.7 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 178 | -69.4 | 177.4 | 176.5 | 0 | 0 | 112.6 | L635 L636 I642 T643 L671 M674 F678 L699 | L635-M639 HydrophobicContact CD1-CE 4.41Å; L635-M639 HydrophobicContact CD2-CE 3.91Å; L635-M639 HydrophobicContact CG-CE 3.89Å; L635-M639 WeakPolarHBondContact O-CG 3.43Å; L635-M639 PolarHBondContact O-N 3.23Å; L636-M639 PolarHBondContact O-N 2.99Å; M639-I642 PolarHBondContact O-N 2.82Å; M639-T643 PolarHBondContact O-N 2.84Å; M639-T643 PolarHBondContact O-OG1 3.29Å; M639-L671 HydrophobicContact CB-CD2 3.83Å; M639-L671 HydrophobicContact CG-CD2 4Å; M639-M674 HydrophobicContact CE-CB 3.81Å; M639-M674 HydrophobicContact CE-CE 3.58Å; M639-M674 HydrophobicContact CE-CG 4.23Å; M639-F678 HydrophobicContact CE-CD2 4.31Å; M639-L699 HydrophobicContact CB-CD1 3.65Å; M639-L699 HydrophobicContact CB-CD2 4.42Å; M639-L699 HydrophobicContact CG-CD1 4.42Å; M639-L699 HydrophobicContact SD-CD1 4.05Å |
| 640 | Q | 96.1 | Very high | 94 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.1 | -175.3 | 59.5 | 52.7 | 0 | 0 | 111.4 | C620 L636 F637 V638 I642 T643 T644 L699 | C620-Q640 HydrophobicContact CB-CG 3.87Å; L636-Q640 VanDerWaalsContact O-CB 3.27Å; L636-Q640 WeakPolarHBondContact O-CB 3.26Å; L636-Q640 PolarHBondContact O-N 3.36Å; F637-Q640 PolarHBondContact O-N 3.15Å; V638-Q640 VanDerWaalsContact C-N 3.33Å; V638-Q640 PolarHBondContact O-N 3.23Å; Q640-I642 PolarHBondContact O-N 3.18Å; Q640-T643 WeakPolarHBondContact O-CB 3.03Å; Q640-T643 PolarHBondContact O-N 3.39Å; Q640-T644 PolarHBondContact O-N 2.82Å; Q640-T644 PolarHBondContact O-OG1 3.42Å; Q640-L699 HydrophobicContact CB-CD2 4.2Å; Q640-L699 VanDerWaalsContact OE1-CD2 3.28Å |
| 641 | T | 96.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 40 Ų | 40 | 37% | 0.368 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.6 | -59 | 0 | 0 | 0 | 0 | 111.1 | C620 F637 V638 T643 T644 L645 | C620-T641 PolarHBondContact SG-OG1 3.29Å; F637-T641 WeakPolarHBondContact O-CB 3.46Å; F637-T641 PolarHBondContact O-N 3.07Å; F637-T641 PolarHBondContact O-OG1 2.83Å; V638-T641 WeakPolarHBondContact O-CB 3.5Å; V638-T641 PolarHBondContact O-N 3.28Å; T641-T643 VanDerWaalsContact C-N 3.33Å; T641-T643 PolarHBondContact O-N 3.46Å; T641-T644 PolarHBondContact O-N 3.44Å; T641-L645 PolarHBondContact O-N 2.88Å |
| 642 | I | 96.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | 175 | -60.7 | 165.9 | 0 | 0 | 0 | 110.5 | V638 M639 Q640 L645 A646 L667 L671 | V638-I642 HydrophobicContact CG1-CD1 4.14Å; V638-I642 WeakPolarHBondContact O-CG1 3.4Å; V638-I642 PolarHBondContact O-N 2.76Å; M639-I642 PolarHBondContact O-N 2.82Å; Q640-I642 PolarHBondContact O-N 3.18Å; I642-L645 PolarHBondContact O-N 3.1Å; I642-A646 WeakPolarHBondContact O-CB 3.5Å; I642-A646 PolarHBondContact O-N 3.24Å; I642-L667 HydrophobicContact CG2-CB 4.21Å; I642-L667 HydrophobicContact CG2-CD1 4.1Å; I642-L671 HydrophobicContact CB-CD1 4.15Å; I642-L671 HydrophobicContact CB-CD2 4.5Å; I642-L671 HydrophobicContact CG2-CD1 3.69Å; I642-L671 HydrophobicContact CG2-CG 4.32Å |
| 643 | T | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | M639 Q640 T641 L645 A646 M647 T702 L703 | M639-T643 PolarHBondContact O-N 2.84Å; M639-T643 PolarHBondContact O-OG1 3.29Å; Q640-T643 WeakPolarHBondContact O-CB 3.03Å; Q640-T643 PolarHBondContact O-N 3.39Å; T641-T643 VanDerWaalsContact C-N 3.33Å; T641-T643 PolarHBondContact O-N 3.46Å; T643-L645 VanDerWaalsContact C-N 3.34Å; T643-L645 PolarHBondContact O-N 2.83Å; T643-A646 PolarHBondContact O-N 2.71Å; T643-M647 WeakPolarHBondContact O-CG 3.5Å; T643-M647 PolarHBondContact O-N 2.9Å; T643-T702 HydrophobicContact CG2-CG2 4.31Å; T643-L703 HydrophobicContact CG2-CD2 3.79Å; T643-L703 HydrophobicContact CG2-CG 3.97Å |
| 644 | T | 96.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | C616 F617 Q640 T641 M647 S648 | C616-T644 HydrophobicContact CB-CG2 3.87Å; C616-T644 WeakPolarHBondContact CB-OG1 3.45Å; C616-T644 PolarHBondContact O-OG1 3.24Å; F617-T644 HydrophobicContact CD1-CG2 4.03Å; F617-T644 HydrophobicContact CE1-CG2 3.83Å; F617-T644 HydrophobicContact CE2-CG2 4.47Å; F617-T644 HydrophobicContact CG-CG2 4.43Å; F617-T644 HydrophobicContact CZ-CG2 4.05Å; Q640-T644 PolarHBondContact O-N 2.82Å; Q640-T644 PolarHBondContact O-OG1 3.42Å; T641-T644 PolarHBondContact O-N 3.44Å; T644-M647 PolarHBondContact O-N 3.31Å; T644-S648 PolarHBondContact O-N 2.96Å; T644-S648 VanDerWaalsContact O-N 3.13Å |
| 645 | L | 96.2 | Very high | 93 | Very high | 80 Ų | 80 | 37 Ų | 37 | 42% | 0.419 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 176 | 178.7 | 63.6 | 0 | 0 | 0 | 111.3 | T641 I642 T643 S648 Y649 W663 | T641-L645 PolarHBondContact O-N 2.88Å; I642-L645 PolarHBondContact O-N 3.1Å; T643-L645 VanDerWaalsContact C-N 3.34Å; T643-L645 PolarHBondContact O-N 2.83Å; L645-S648 PolarHBondContact O-N 3.05Å; L645-S648 PolarHBondContact O-OG 3.17Å; L645-Y649 HydrophobicContact CD1-CE2 4.27Å; L645-Y649 HydrophobicContact CG-CE2 4.37Å; L645-Y649 VanDerWaalsContact O-CD2 3.27Å; L645-Y649 WeakPolarHBondContact O-CD2 3.44Å; L645-W663 HydrophobicContact CD2-CH2 4.27Å; L645-W663 HydrophobicContact CD2-CZ3 4.5Å |
| 646 | A | 96.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I642 T643 S648 Y649 V664 L703 L791 | I642-A646 WeakPolarHBondContact O-CB 3.5Å; I642-A646 PolarHBondContact O-N 3.24Å; T643-A646 PolarHBondContact O-N 2.71Å; A646-S648 PolarHBondContact O-N 2.75Å; A646-Y649 PolarHBondContact O-N 3.19Å; A646-V664 HydrophobicContact CB-CG1 3.93Å; A646-L703 HydrophobicContact CB-CD2 4Å; A646-L791 HydrophobicContact CB-CD2 4.37Å; A646-L791 WeakPolarHBondContact O-CD2 3.47Å |
| 647 | M | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -31.2 | 178 | -72.5 | -49.4 | -58.5 | 0 | 0 | 113.2 | V612 L613 T643 T644 Y649 V650 P651 L703 L791 | V612-M647 HydrophobicContact CB-CE 4.42Å; V612-M647 HydrophobicContact CG1-CE 3.71Å; L613-M647 HydrophobicContact CD2-CB 3.85Å; T643-M647 WeakPolarHBondContact O-CG 3.5Å; T643-M647 PolarHBondContact O-N 2.9Å; T644-M647 PolarHBondContact O-N 3.31Å; M647-Y649 PolarHBondContact O-N 2.81Å; M647-V650 HydrophobicContact CE-CG2 4.05Å; M647-V650 WeakPolarHBondContact O-CB 3.36Å; M647-V650 PolarHBondContact O-N 3.28Å; M647-V650 VanDerWaalsContact O-N 3.11Å; M647-V650 HydrophobicContact SD-CG2 4.44Å; M647-P651 WeakPolarHBondContact O-CD 3.44Å; M647-L703 HydrophobicContact SD-CD2 4.29Å; M647-L791 HydrophobicContact CE-CD1 4.39Å; M647-L791 HydrophobicContact SD-CD1 3.31Å; M647-L791 WeakPolarHBondContact SD-CD1 3.32Å |
| 648 | S | 95 | Very high | 90.7 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -18.7 | 179.3 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | T644 L645 A646 | T644-S648 PolarHBondContact O-N 2.96Å; T644-S648 VanDerWaalsContact O-N 3.13Å; L645-S648 PolarHBondContact O-N 3.05Å; L645-S648 PolarHBondContact O-OG 3.17Å; A646-S648 PolarHBondContact O-N 2.75Å |
| 649 | Y | 94.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -20.5 | 175.3 | -73.3 | -86 | 0 | 0 | 0 | 113.3 | L645 A646 M647 A653 P661 W663 V664 | L645-Y649 HydrophobicContact CD1-CE2 4.27Å; L645-Y649 HydrophobicContact CG-CE2 4.37Å; L645-Y649 VanDerWaalsContact O-CD2 3.27Å; L645-Y649 WeakPolarHBondContact O-CD2 3.44Å; A646-Y649 PolarHBondContact O-N 3.19Å; M647-Y649 PolarHBondContact O-N 2.81Å; Y649-A653 WeakPolarHBondContact O-CB 3.29Å; Y649-A653 PolarHBondContact O-N 3.37Å; Y649-A653 VanDerWaalsContact O-N 3.13Å; Y649-P661 HydrophobicContact CE1-CG 4.07Å; Y649-W663 HydrophobicContact CE2-CH2 4.26Å; Y649-W663 HydrophobicContact CE2-CZ2 4.46Å; Y649-W663 WeakPolarHBondContact OH-CZ2 3.46Å; Y649-V664 HydrophobicContact CD2-CG1 4.23Å; Y649-V664 HydrophobicContact CD2-CG2 3.98Å; Y649-V664 HydrophobicContact CE2-CG2 3.74Å |
| 650 | V | 91.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -46.9 | -170.5 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | Y609 M647 A652 A653 V654 V790 L791 | Y609-V650 HydrophobicContact CD1-CB 4.32Å; Y609-V650 HydrophobicContact CD1-CG1 3.56Å; Y609-V650 HydrophobicContact CD2-CG1 4.19Å; Y609-V650 HydrophobicContact CE1-CB 4.47Å; Y609-V650 HydrophobicContact CE1-CG1 3.31Å; Y609-V650 HydrophobicContact CE2-CG1 3.97Å; Y609-V650 HydrophobicContact CG-CG1 4Å; M647-V650 HydrophobicContact CE-CG2 4.05Å; M647-V650 WeakPolarHBondContact O-CB 3.36Å; M647-V650 PolarHBondContact O-N 3.28Å; M647-V650 VanDerWaalsContact O-N 3.11Å; M647-V650 HydrophobicContact SD-CG2 4.44Å; V650-A652 VanDerWaalsContact C-N 3.27Å; V650-A652 PolarHBondContact O-N 2.58Å; V650-A653 PolarHBondContact O-N 2.83Å; V650-A653 VanDerWaalsContact O-N 3.11Å; V650-V654 HydrophobicContact CG1-CG2 4.06Å; V650-V654 WeakPolarHBondContact O-CG2 3.45Å; V650-V654 PolarHBondContact O-N 3.12Å; V650-V790 HydrophobicContact CG1-CG1 3.95Å; V650-V790 HydrophobicContact CG2-CG1 4.07Å; V650-L791 HydrophobicContact CG2-CD1 3.72Å; V650-L791 HydrophobicContact CG2-CD2 3.77Å; V650-L791 HydrophobicContact CG2-CG 3.65Å |
| 651 | P | 90.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 56 Ų | 56 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | -179.4 | -22.6 | 31.3 | 0 | 0 | 0 | 112.9 | L613 M647 N655 | L613-P651 HydrophobicContact CD1-CG 3.85Å; M647-P651 WeakPolarHBondContact O-CD 3.44Å; P651-N655 VanDerWaalsContact O-CB 3.29Å; P651-N655 WeakPolarHBondContact O-CB 3.45Å; P651-N655 PolarHBondContact O-N 3.48Å; P651-N655 PolarHBondContact O-ND2 3.15Å |
| 652 | A | 88 | Confident | 89.4 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V650 Y656 Q658 | V650-A652 VanDerWaalsContact C-N 3.27Å; V650-A652 PolarHBondContact O-N 2.58Å; A652-Y656 WeakPolarHBondContact O-CB 3.38Å; A652-Y656 PolarHBondContact O-N 3.44Å; A652-Q658 PolarHBondContact O-N 3.08Å |
| 653 | A | 86.2 | Confident | 89.3 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 13% | 0.132 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y649 V650 E657 Q658 I660 | Y649-A653 WeakPolarHBondContact O-CB 3.29Å; Y649-A653 PolarHBondContact O-N 3.37Å; Y649-A653 VanDerWaalsContact O-N 3.13Å; V650-A653 PolarHBondContact O-N 2.83Å; V650-A653 VanDerWaalsContact O-N 3.11Å; A653-E657 VanDerWaalsContact O-CA 3.28Å; A653-E657 WeakPolarHBondContact O-CA 3.49Å; A653-E657 PolarHBondContact O-N 3.08Å; A653-Q658 VanDerWaalsContact CA-O 3.26Å; A653-Q658 WeakPolarHBondContact CA-O 3.39Å; A653-Q658 WeakPolarHBondContact CB-O 3.32Å; A653-I660 HydrophobicContact CB-CD1 3.79Å; A653-I660 HydrophobicContact CB-CG1 3.52Å |
| 654 | V | 81.6 | Confident | 89.3 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -84.5 | -46.2 | -177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | Y609 V650 N787 | Y609-V654 HydrophobicContact CE2-CB 4.07Å; Y609-V654 HydrophobicContact CE2-CG1 4.15Å; Y609-V654 HydrophobicContact CE2-CG2 3.94Å; V650-V654 HydrophobicContact CG1-CG2 4.06Å; V650-V654 WeakPolarHBondContact O-CG2 3.45Å; V650-V654 PolarHBondContact O-N 3.12Å; V654-N787 HydrophobicContact CG2-CB 4.4Å |
| 655 | N | 82.7 | Confident | 89.2 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -83.7 | -28.6 | -173.1 | -64.5 | -26.3 | 0 | 0 | 0 | 114 | P651 | P651-N655 VanDerWaalsContact O-CB 3.29Å; P651-N655 WeakPolarHBondContact O-CB 3.45Å; P651-N655 PolarHBondContact O-N 3.48Å; P651-N655 PolarHBondContact O-ND2 3.15Å |
| 656 | Y | 80.5 | Confident | 89.2 | Confident | 174 Ų | 174 | 64.4 Ų | 64.4 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -117.5 | 11 | -177.9 | -55.7 | -67.2 | 0 | 0 | 0 | 112.9 | A652 Q658 | A652-Y656 WeakPolarHBondContact O-CB 3.38Å; A652-Y656 PolarHBondContact O-N 3.44Å; Y656-Q658 PolarHBondContact O-N 2.76Å; Y656-Q658 VanDerWaalsContact O-N 3.12Å |
| 657 | E | 72.2 | Confident | 89.2 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | trans | 52.1 | 32.1 | -178.5 | -60 | -175.1 | -176 | 0 | 0 | 114.1 | A653 | A653-E657 VanDerWaalsContact O-CA 3.28Å; A653-E657 WeakPolarHBondContact O-CA 3.49Å; A653-E657 PolarHBondContact O-N 3.08Å | ||
| 658 | Q | 81.5 | Confident | 89.3 | Confident | 118 Ų | 118 | 66.7 Ų | 66.7 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -77 | 142.9 | 179 | -67.1 | -173.9 | 4.8 | 0 | 0 | 112.2 | A652 A653 Y656 I660 | A652-Q658 PolarHBondContact O-N 3.08Å; A653-Q658 VanDerWaalsContact CA-O 3.26Å; A653-Q658 WeakPolarHBondContact CA-O 3.39Å; A653-Q658 WeakPolarHBondContact CB-O 3.32Å; Y656-Q658 PolarHBondContact O-N 2.76Å; Y656-Q658 VanDerWaalsContact O-N 3.12Å; Q658-I660 PolarHBondContact O-N 3.23Å |
| 659 | S | 82.8 | Confident | 89.4 | Confident | 110 Ų | 110 | 69.1 Ų | 69.1 | 77% | 0.769 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 122.6 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 660 | I | 89 | Confident | 89.5 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 138.1 | 168.7 | -53.8 | 175.8 | 0 | 0 | 0 | 108.7 | A653 Q658 V664 R665 V790 L791 | A653-I660 HydrophobicContact CB-CD1 3.79Å; A653-I660 HydrophobicContact CB-CG1 3.52Å; Q658-I660 PolarHBondContact O-N 3.23Å; I660-V664 HydrophobicContact CG2-CB 3.94Å; I660-V664 HydrophobicContact CG2-CG1 3.97Å; I660-V664 HydrophobicContact CG2-CG2 4.47Å; I660-R665 HydrophobicContact CG2-CG 4.45Å; I660-R665 VanDerWaalsContact O-CZ 3.27Å; I660-R665 PolarHBondContact O-NH1 2.79Å; I660-R665 PolarHBondContact O-NH2 3.47Å; I660-V790 HydrophobicContact CD1-CB 4.47Å; I660-V790 HydrophobicContact CD1-CG1 3.98Å; I660-V790 HydrophobicContact CD1-CG2 3.99Å; I660-L791 HydrophobicContact CD1-CD2 4.03Å |
| 661 | P | 92.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 25% | 0.253 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 150.1 | 177.3 | -23.5 | 33.8 | 0 | 0 | 0 | 113.8 | Y649 W663 V664 | Y649-P661 HydrophobicContact CE1-CG 4.07Å; P661-W663 VanDerWaalsContact C-N 3.34Å; P661-W663 HydrophobicContact CB-CG 4.29Å; P661-W663 PolarHBondContact O-N 2.73Å; P661-V664 HydrophobicContact CB-CG2 4.15Å; P661-V664 HydrophobicContact CG-CG2 4.23Å; P661-V664 PolarHBondContact O-N 2.91Å |
| 662 | A | 92.4 | Very high | 90 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V664 R665 F666 | A662-V664 VanDerWaalsContact C-N 3.34Å; A662-V664 PolarHBondContact O-N 3.26Å; A662-R665 PolarHBondContact O-N 3.47Å; A662-F666 PolarHBondContact O-N 3.06Å |
| 663 | W | 94.5 | Very high | 90.4 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 47% | 0.473 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 178.9 | 66.1 | -98.8 | 0 | 0 | 0 | 112.4 | L645 Y649 P661 R665 F666 L667 | L645-W663 HydrophobicContact CD2-CH2 4.27Å; L645-W663 HydrophobicContact CD2-CZ3 4.5Å; Y649-W663 HydrophobicContact CE2-CH2 4.26Å; Y649-W663 HydrophobicContact CE2-CZ2 4.46Å; Y649-W663 WeakPolarHBondContact OH-CZ2 3.46Å; P661-W663 VanDerWaalsContact C-N 3.34Å; P661-W663 HydrophobicContact CB-CG 4.29Å; P661-W663 PolarHBondContact O-N 2.73Å; W663-R665 VanDerWaalsContact C-N 3.35Å; W663-F666 PolarHBondContact O-N 3.08Å; W663-L667 HydrophobicContact CE3-CD1 3.62Å; W663-L667 HydrophobicContact CE3-CG 4.49Å; W663-L667 HydrophobicContact CZ3-CD1 3.7Å; W663-L667 WeakPolarHBondContact O-CG 3.47Å; W663-L667 PolarHBondContact O-N 3.47Å |
| 664 | V | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | A646 Y649 I660 P661 A662 F666 L667 C668 L791 | A646-V664 HydrophobicContact CB-CG1 3.93Å; Y649-V664 HydrophobicContact CD2-CG1 4.23Å; Y649-V664 HydrophobicContact CD2-CG2 3.98Å; Y649-V664 HydrophobicContact CE2-CG2 3.74Å; I660-V664 HydrophobicContact CG2-CB 3.94Å; I660-V664 HydrophobicContact CG2-CG1 3.97Å; I660-V664 HydrophobicContact CG2-CG2 4.47Å; P661-V664 HydrophobicContact CB-CG2 4.15Å; P661-V664 HydrophobicContact CG-CG2 4.23Å; P661-V664 PolarHBondContact O-N 2.91Å; A662-V664 VanDerWaalsContact C-N 3.34Å; A662-V664 PolarHBondContact O-N 3.26Å; V664-F666 PolarHBondContact O-N 3.17Å; V664-L667 WeakPolarHBondContact O-CB 3.47Å; V664-L667 PolarHBondContact O-N 3.08Å; V664-L667 VanDerWaalsContact O-N 3.17Å; V664-C668 PolarHBondContact O-N 3.4Å; V664-C668 PolarHBondContact O-SG 3.21Å; V664-L791 HydrophobicContact CG1-CD2 4.29Å |
| 665 | R | 94.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 178.7 | -59.3 | -164.1 | -175.9 | 77.4 | -1.4 | 112.4 | I660 A662 W663 L667 C668 W669 L791 | I660-R665 HydrophobicContact CG2-CG 4.45Å; I660-R665 VanDerWaalsContact O-CZ 3.27Å; I660-R665 PolarHBondContact O-NH1 2.79Å; I660-R665 PolarHBondContact O-NH2 3.47Å; A662-R665 PolarHBondContact O-N 3.47Å; W663-R665 VanDerWaalsContact C-N 3.35Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.89Å; R665-C668 WeakPolarHBondContact O-CB 3.26Å; R665-C668 PolarHBondContact O-N 3.47Å; R665-W669 VanDerWaalsContact O-CD1 3.25Å; R665-W669 PolarHBondContact O-N 2.95Å; R665-W669 VanDerWaalsContact O-N 3.09Å; R665-L791 WeakPolarHBondContact CA-O 3.38Å; R665-L791 WeakPolarHBondContact CG-O 3.5Å |
| 666 | F | 95.9 | Very high | 92 | Very high | 141 Ų | 141 | 66.7 Ų | 66.7 | 62% | 0.618 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58 | -44.6 | 174.2 | 177.7 | -100.9 | 0 | 0 | 0 | 111.3 | A662 W663 V664 C668 W669 V670 | A662-F666 PolarHBondContact O-N 3.06Å; W663-F666 PolarHBondContact O-N 3.08Å; V664-F666 PolarHBondContact O-N 3.17Å; F666-C668 PolarHBondContact O-N 2.82Å; F666-W669 PolarHBondContact O-N 3.49Å; F666-V670 HydrophobicContact CD1-CG2 4.25Å; F666-V670 HydrophobicContact CE1-CG2 3.83Å; F666-V670 HydrophobicContact CE2-CG2 4.41Å; F666-V670 HydrophobicContact CZ-CG2 3.91Å; F666-V670 WeakPolarHBondContact O-CG2 3.34Å; F666-V670 PolarHBondContact O-N 3.36Å |
| 667 | L | 96.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 29% | 0.293 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 175.2 | -69.4 | 176.3 | 0 | 0 | 0 | 112.6 | I642 W663 V664 R665 W669 V670 L671 | I642-L667 HydrophobicContact CG2-CB 4.21Å; I642-L667 HydrophobicContact CG2-CD1 4.1Å; W663-L667 HydrophobicContact CE3-CD1 3.62Å; W663-L667 HydrophobicContact CE3-CG 4.49Å; W663-L667 HydrophobicContact CZ3-CD1 3.7Å; W663-L667 WeakPolarHBondContact O-CG 3.47Å; W663-L667 PolarHBondContact O-N 3.47Å; V664-L667 WeakPolarHBondContact O-CB 3.47Å; V664-L667 PolarHBondContact O-N 3.08Å; V664-L667 VanDerWaalsContact O-N 3.17Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.89Å; L667-W669 VanDerWaalsContact C-N 3.33Å; L667-W669 PolarHBondContact O-N 3Å; L667-V670 PolarHBondContact O-N 3.39Å; L667-L671 WeakPolarHBondContact O-CB 3.4Å; L667-L671 WeakPolarHBondContact O-CG 3.35Å; L667-L671 PolarHBondContact O-N 3.44Å |
| 668 | C | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 174.9 | -64 | 0 | 0 | 0 | 0 | 112.1 | V664 R665 F666 L671 L672 L703 F792 | V664-C668 PolarHBondContact O-N 3.4Å; V664-C668 PolarHBondContact O-SG 3.21Å; R665-C668 WeakPolarHBondContact O-CB 3.26Å; R665-C668 PolarHBondContact O-N 3.47Å; F666-C668 PolarHBondContact O-N 2.82Å; C668-L671 PolarHBondContact O-N 2.91Å; C668-L672 WeakPolarHBondContact O-CB 3.42Å; C668-L672 PolarHBondContact O-N 3.23Å; C668-L703 HydrophobicContact CB-CD1 4.31Å; C668-F792 HydrophobicContact CB-CD1 4.21Å; C668-F792 HydrophobicContact CB-CE1 3.94Å; C668-F792 HydrophobicContact CB-CZ 4.35Å |
| 669 | W | 97 | Very high | 94.1 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 174.5 | -79.1 | 107.6 | 0 | 0 | 0 | 112.7 | R665 F666 L667 L672 A673 F792 I800 L804 | R665-W669 VanDerWaalsContact O-CD1 3.25Å; R665-W669 PolarHBondContact O-N 2.95Å; R665-W669 VanDerWaalsContact O-N 3.09Å; F666-W669 PolarHBondContact O-N 3.49Å; L667-W669 VanDerWaalsContact C-N 3.33Å; L667-W669 PolarHBondContact O-N 3Å; W669-L672 HydrophobicContact CE3-CD2 3.82Å; W669-L672 HydrophobicContact CZ3-CD2 3.73Å; W669-L672 WeakPolarHBondContact O-CB 3.33Å; W669-L672 PolarHBondContact O-N 3.16Å; W669-A673 PolarHBondContact O-N 3.39Å; W669-A673 VanDerWaalsContact O-N 3.07Å; W669-F792 AromaticContact CD2-CD1 3.98Å; W669-F792 HydrophobicContact CD2-CD1 3.98Å; W669-F792 AromaticContact CE2-CD1 3.84Å; W669-F792 HydrophobicContact CE3-CD1 4.41Å; W669-F792 HydrophobicContact CG-CD1 4.33Å; W669-F792 HydrophobicContact CZ2-CB 4.06Å; W669-F792 HydrophobicContact CZ2-CD1 4.15Å; W669-F792 PolarHBondContact NE1-O 3.45Å; W669-F792 VanDerWaalsContact NE1-O 3.1Å; W669-I800 HydrophobicContact CH2-CG2 4.23Å; W669-I800 HydrophobicContact CZ2-CG2 4.27Å; W669-L804 HydrophobicContact CH2-CD1 4.45Å; W669-L804 HydrophobicContact CH2-CD2 4.05Å; W669-L804 HydrophobicContact CH2-CG 4.49Å; W669-L804 HydrophobicContact CZ3-CD2 4.26Å |
| 670 | V | 96.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 111 | F666 L667 L672 A673 M674 | F666-V670 HydrophobicContact CD1-CG2 4.25Å; F666-V670 HydrophobicContact CE1-CG2 3.83Å; F666-V670 HydrophobicContact CE2-CG2 4.41Å; F666-V670 HydrophobicContact CZ-CG2 3.91Å; F666-V670 WeakPolarHBondContact O-CG2 3.34Å; F666-V670 PolarHBondContact O-N 3.36Å; L667-V670 PolarHBondContact O-N 3.39Å; V670-L672 VanDerWaalsContact C-N 3.32Å; V670-L672 PolarHBondContact O-N 3.48Å; V670-A673 PolarHBondContact O-N 2.88Å; V670-M674 HydrophobicContact CG1-CG 4.13Å; V670-M674 WeakPolarHBondContact O-CB 3.2Å; V670-M674 VanDerWaalsContact O-CG 3.26Å; V670-M674 WeakPolarHBondContact O-CG 3.45Å; V670-M674 PolarHBondContact O-N 3.3Å |
| 671 | L | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.4 | -75.3 | 173.9 | 0 | 0 | 0 | 111.8 | M639 I642 L667 C668 M674 S675 L703 | M639-L671 HydrophobicContact CB-CD2 3.83Å; M639-L671 HydrophobicContact CG-CD2 4Å; I642-L671 HydrophobicContact CB-CD1 4.15Å; I642-L671 HydrophobicContact CB-CD2 4.5Å; I642-L671 HydrophobicContact CG2-CD1 3.69Å; I642-L671 HydrophobicContact CG2-CG 4.32Å; L667-L671 WeakPolarHBondContact O-CB 3.4Å; L667-L671 WeakPolarHBondContact O-CG 3.35Å; L667-L671 PolarHBondContact O-N 3.44Å; C668-L671 PolarHBondContact O-N 2.91Å; L671-M674 PolarHBondContact O-N 3Å; L671-S675 PolarHBondContact O-N 2.79Å; L671-L703 HydrophobicContact CB-CD1 4.15Å; L671-L703 HydrophobicContact CD1-CD1 4.14Å |
| 672 | L | 96.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -52.8 | 174.1 | -175.1 | 65.1 | 0 | 0 | 0 | 111.1 | C668 W669 V670 M674 S675 F676 P700 F792 L804 L807 | C668-L672 WeakPolarHBondContact O-CB 3.42Å; C668-L672 PolarHBondContact O-N 3.23Å; W669-L672 HydrophobicContact CE3-CD2 3.82Å; W669-L672 HydrophobicContact CZ3-CD2 3.73Å; W669-L672 WeakPolarHBondContact O-CB 3.33Å; W669-L672 PolarHBondContact O-N 3.16Å; V670-L672 VanDerWaalsContact C-N 3.32Å; V670-L672 PolarHBondContact O-N 3.48Å; L672-M674 PolarHBondContact O-N 3.22Å; L672-S675 PolarHBondContact O-N 3.49Å; L672-S675 PolarHBondContact O-OG 2.69Å; L672-F676 HydrophobicContact CD1-CE2 4.44Å; L672-F676 WeakPolarHBondContact O-CD2 3.41Å; L672-P700 HydrophobicContact CD1-CB 3.26Å; L672-P700 HydrophobicContact CD1-CG 4.19Å; L672-F792 HydrophobicContact CB-CE1 4.24Å; L672-F792 HydrophobicContact CD2-CE1 4.05Å; L672-L804 HydrophobicContact CD2-CD2 3.74Å; L672-L807 HydrophobicContact CD1-CD2 3.58Å; L672-L807 HydrophobicContact CD2-CD2 4.12Å; L672-L807 HydrophobicContact CG-CD2 4.12Å |
| 673 | A | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W669 V670 S675 F676 V677 | W669-A673 PolarHBondContact O-N 3.39Å; W669-A673 VanDerWaalsContact O-N 3.07Å; V670-A673 PolarHBondContact O-N 2.88Å; A673-S675 VanDerWaalsContact C-N 3.28Å; A673-S675 PolarHBondContact O-N 3.22Å; A673-F676 PolarHBondContact O-N 3.32Å; A673-V677 WeakPolarHBondContact O-CG2 3.29Å; A673-V677 PolarHBondContact O-N 3.35Å |
| 674 | M | 94.8 | Very high | 93.8 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 28% | 0.281 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -32 | -178.9 | -73.6 | -59.7 | -66.6 | 0 | 0 | 112.9 | M639 V670 L671 L672 F676 V677 F678 | M639-M674 HydrophobicContact CE-CB 3.81Å; M639-M674 HydrophobicContact CE-CE 3.58Å; M639-M674 HydrophobicContact CE-CG 4.23Å; V670-M674 HydrophobicContact CG1-CG 4.13Å; V670-M674 WeakPolarHBondContact O-CB 3.2Å; V670-M674 VanDerWaalsContact O-CG 3.26Å; V670-M674 WeakPolarHBondContact O-CG 3.45Å; V670-M674 PolarHBondContact O-N 3.3Å; L671-M674 PolarHBondContact O-N 3Å; L672-M674 PolarHBondContact O-N 3.22Å; M674-F676 PolarHBondContact O-N 3.31Å; M674-V677 PolarHBondContact O-N 3.47Å; M674-V677 VanDerWaalsContact O-N 3.16Å; M674-F678 VanDerWaalsContact O-CB 3.24Å; M674-F678 WeakPolarHBondContact O-CB 3.38Å; M674-F678 PolarHBondContact O-N 3.14Å |
| 675 | S | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -31.2 | 177.3 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | L671 L672 A673 P679 S696 P700 | L671-S675 PolarHBondContact O-N 2.79Å; L672-S675 PolarHBondContact O-N 3.49Å; L672-S675 PolarHBondContact O-OG 2.69Å; A673-S675 VanDerWaalsContact C-N 3.28Å; A673-S675 PolarHBondContact O-N 3.22Å; S675-P679 WeakPolarHBondContact O-CD 3.48Å; S675-S696 WeakPolarHBondContact CB-O 3.48Å; S675-S696 WeakPolarHBondContact O-CB 3.46Å; S675-S696 PolarHBondContact O-OG 3.15Å; S675-P700 WeakPolarHBondContact OG-CG 3.19Å |
| 676 | F | 93.7 | Very high | 93.3 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -91.5 | -23.4 | 177.8 | -65.8 | -84.6 | 0 | 0 | 0 | 113.1 | L672 A673 M674 F680 L697 L807 M814 | L672-F676 HydrophobicContact CD1-CE2 4.44Å; L672-F676 WeakPolarHBondContact O-CD2 3.41Å; A673-F676 PolarHBondContact O-N 3.32Å; M674-F676 PolarHBondContact O-N 3.31Å; F676-F680 WeakPolarHBondContact O-CE2 3.36Å; F676-L697 HydrophobicContact CD1-CD2 3.9Å; F676-L697 HydrophobicContact CE1-CD2 3.48Å; F676-L697 VanDerWaalsContact CE1-CD2 3.48Å; F676-L697 HydrophobicContact CE2-CD2 4.46Å; F676-L697 HydrophobicContact CZ-CD2 3.77Å; F676-L807 HydrophobicContact CE1-CD1 4.19Å; F676-L807 HydrophobicContact CE2-CD1 3.89Å; F676-L807 HydrophobicContact CE2-CD2 4.11Å; F676-L807 HydrophobicContact CE2-CG 4.27Å; F676-L807 HydrophobicContact CZ-CD1 3.41Å; F676-L807 VanDerWaalsContact CZ-CD1 3.41Å; F676-L807 HydrophobicContact CZ-CD2 4.4Å; F676-L807 HydrophobicContact CZ-CG 4.06Å; F676-M814 HydrophobicContact CD1-CE 4.39Å; F676-M814 HydrophobicContact CD1-SD 4.38Å; F676-M814 HydrophobicContact CE1-CE 4.32Å; F676-M814 HydrophobicContact CE1-SD 3.76Å |
| 677 | V | 93.1 | Very high | 92.9 | Very high | 73 Ų | 73 | 35.7 Ų | 35.7 | 44% | 0.442 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.1 | -35.6 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | A673 M674 P679 F680 | A673-V677 WeakPolarHBondContact O-CG2 3.29Å; A673-V677 PolarHBondContact O-N 3.35Å; M674-V677 PolarHBondContact O-N 3.47Å; M674-V677 VanDerWaalsContact O-N 3.16Å; V677-P679 VanDerWaalsContact C-CD 3.49Å; V677-F680 WeakPolarHBondContact O-CB 3.27Å; V677-F680 WeakPolarHBondContact O-CD2 3.32Å; V677-F680 PolarHBondContact O-N 2.85Å |
| 678 | F | 92.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.022 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -58.6 | -38.3 | -172.7 | -169 | -108.9 | 0 | 0 | 0 | 114.7 | L635 L636 M639 M674 F680 L681 V682 V692 | L635-F678 HydrophobicContact CB-CE2 4Å; L635-F678 HydrophobicContact CB-CZ 4.19Å; L635-F678 HydrophobicContact CD2-CD2 3.82Å; L635-F678 HydrophobicContact CD2-CE2 3.36Å; L635-F678 HydrophobicContact CD2-CZ 4.36Å; L635-F678 HydrophobicContact CG-CE2 3.99Å; L636-F678 HydrophobicContact CD1-CE1 3.84Å; L636-F678 HydrophobicContact CD2-CD1 3.69Å; L636-F678 HydrophobicContact CD2-CE1 3.52Å; L636-F678 HydrophobicContact CD2-CZ 4.39Å; L636-F678 HydrophobicContact CG-CD1 4.15Å; L636-F678 HydrophobicContact CG-CE1 3.44Å; L636-F678 VanDerWaalsContact CG-CE1 3.44Å; L636-F678 HydrophobicContact CG-CZ 4.02Å; M639-F678 HydrophobicContact CE-CD2 4.31Å; M674-F678 VanDerWaalsContact O-CB 3.24Å; M674-F678 WeakPolarHBondContact O-CB 3.38Å; M674-F678 PolarHBondContact O-N 3.14Å; F678-F680 PolarHBondContact O-N 3.09Å; F678-L681 HydrophobicContact CD2-CD1 3.94Å; F678-L681 HydrophobicContact CE2-CD1 4.36Å; F678-L681 WeakPolarHBondContact O-CB 3.42Å; F678-L681 PolarHBondContact O-N 3.4Å; F678-V682 HydrophobicContact CE1-CG2 4.49Å; F678-V682 HydrophobicContact CZ-CG2 4.49Å; F678-V692 HydrophobicContact CD1-CG1 3.47Å; F678-V692 VanDerWaalsContact CD1-CG1 3.47Å; F678-V692 HydrophobicContact CE1-CG1 3.66Å; F678-V692 HydrophobicContact CE1-CG2 4.47Å |
| 679 | P | 93.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -55.7 | -22.4 | 174 | -29 | 37.1 | 0 | 0 | 0 | 115.4 | S675 V677 L681 K689 V692 I693 | S675-P679 WeakPolarHBondContact O-CD 3.48Å; V677-P679 VanDerWaalsContact C-CD 3.49Å; P679-L681 VanDerWaalsContact C-N 3.33Å; P679-K689 PolarHBondContact O-NZ 3.18Å; P679-V692 HydrophobicContact CG-CG1 4.46Å; P679-I693 HydrophobicContact CB-CG1 3.83Å; P679-I693 HydrophobicContact CG-CG1 3.9Å |
| 680 | F | 91.7 | Very high | 92.2 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 20% | 0.197 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -81.9 | -10.3 | 177.6 | -62.8 | -86.6 | 0 | 0 | 0 | 113.8 | F676 V677 F678 F906 C907 N910 Q911 V912 | F676-F680 WeakPolarHBondContact O-CE2 3.36Å; V677-F680 WeakPolarHBondContact O-CB 3.27Å; V677-F680 WeakPolarHBondContact O-CD2 3.32Å; V677-F680 PolarHBondContact O-N 2.85Å; F678-F680 PolarHBondContact O-N 3.09Å; F680-F906 AromaticContact CE1-CD1 3.98Å; F680-F906 HydrophobicContact CE1-CD1 3.98Å; F680-F906 AromaticContact CE1-CE1 3.74Å; F680-F906 HydrophobicContact CE1-CE1 3.74Å; F680-F906 AromaticContact CZ-CD1 4Å; F680-F906 HydrophobicContact CZ-CD1 4Å; F680-F906 AromaticContact CZ-CE1 3.89Å; F680-F906 HydrophobicContact CZ-CE1 3.89Å; F680-C907 HydrophobicContact CZ-CB 4.2Å; F680-N910 HydrophobicContact CD1-CB 4.39Å; F680-N910 HydrophobicContact CE1-CB 4.41Å; F680-Q911 CarbonylContact O-C 3.47Å; F680-Q911 WeakPolarHBondContact O-CA 3.46Å; F680-V912 HydrophobicContact CB-CG2 3.92Å; F680-V912 PolarHBondContact O-N 2.97Å |
| 681 | L | 89.8 | Confident | 92 | Very high | 67 Ų | 67 | 27.4 Ų | 27.4 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -90.7 | -6.6 | 179.9 | -54.9 | -175.4 | 0 | 0 | 0 | 113.3 | F678 P679 V912 F913 | F678-L681 HydrophobicContact CD2-CD1 3.94Å; F678-L681 HydrophobicContact CE2-CD1 4.36Å; F678-L681 WeakPolarHBondContact O-CB 3.42Å; F678-L681 PolarHBondContact O-N 3.4Å; P679-L681 VanDerWaalsContact C-N 3.33Å; L681-V912 HydrophobicContact CD2-CB 4.41Å; L681-V912 HydrophobicContact CD2-CG2 4.39Å; L681-F913 HydrophobicContact CD2-CD2 4.37Å; L681-F913 HydrophobicContact CD2-CE2 3.99Å |
| 682 | V | 88.4 | Confident | 91.9 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -114.1 | 158.1 | -176.2 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | Y632 F678 D688 K689 V692 | Y632-V682 HydrophobicContact CD1-CG1 3.8Å; Y632-V682 HydrophobicContact CD1-CG2 4.28Å; Y632-V682 HydrophobicContact CE1-CG1 3.74Å; Y632-V682 HydrophobicContact CG-CG1 4.33Å; Y632-V682 HydrophobicContact CG-CG2 4.07Å; F678-V682 HydrophobicContact CE1-CG2 4.49Å; F678-V682 HydrophobicContact CZ-CG2 4.49Å; V682-D688 HydrophobicContact CG1-CB 4.02Å; V682-K689 PolarHBondContact O-NZ 3.23Å; V682-K689 VanDerWaalsContact O-NZ 3.08Å; V682-V692 HydrophobicContact CB-CG2 4.16Å; V682-V692 HydrophobicContact CG1-CG2 4.01Å; V682-V692 HydrophobicContact CG2-CG1 4.14Å; V682-V692 HydrophobicContact CG2-CG2 3.86Å |
| 683 | S | 88.4 | Confident | 91.8 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | trans | -46.5 | 155.2 | 177.7 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | L685 D688 K689 | S683-L685 PolarHBondContact O-N 3.32Å; S683-D688 VanDerWaalsContact OG-CB 3.25Å; S683-D688 WeakPolarHBondContact OG-CB 3.46Å; S683-D688 PolarHBondContact OG-OD2 3.27Å; S683-K689 WeakPolarHBondContact O-CE 3.44Å | ||
| 684 | T | 88.2 | Confident | 91.8 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -83.8 | 6.2 | 174.1 | 50.4 | 0 | 0 | 0 | 0 | 113 | V686 D739 F740 W741 Q911 | T684-V686 PolarHBondContact O-N 3.15Å; T684-D739 WeakPolarHBondContact CB-OD1 3.34Å; T684-D739 VanDerWaalsContact O-OD1 3.1Å; T684-D739 VanDerWaalsContact OG1-CG 3.24Å; T684-D739 PolarHBondContact OG1-OD1 3.28Å; T684-D739 PolarHBondContact OG1-OD2 3.37Å; T684-F740 PolarHBondContact O-N 3.28Å; T684-W741 HydrophobicContact CG2-CB 4.43Å; T684-Q911 HydrophobicContact CG2-CB 4.23Å; T684-Q911 HydrophobicContact CG2-CG 4.1Å |
| 685 | L | 89.2 | Confident | 91.8 | Very high | 57 Ų | 57 | 22.7 Ų | 22.7 | 30% | 0.298 | 12% | 0.123 | S | C | . | . | B | Isolated β-bridge | trans | -60.8 | 135 | 172.9 | -66.9 | 176.8 | 0 | 0 | 0 | 110.1 | S683 I687 D688 K689 L738 D739 | S683-L685 PolarHBondContact O-N 3.32Å; L685-I687 PolarHBondContact O-N 3.33Å; L685-D688 HydrophobicContact CB-CB 4.26Å; L685-D688 PolarHBondContact O-N 3.45Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.18Å; L685-L738 CarbonylContact C-O 3.59Å; L685-L738 WeakPolarHBondContact CA-O 3.18Å; L685-D739 HydrophobicContact CD2-CB 4.43Å |
| 686 | V | 88.7 | Confident | 91.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | -172.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | T684 L690 I735 L738 F740 T822 | T684-V686 PolarHBondContact O-N 3.15Å; V686-L690 HydrophobicContact CG1-CD1 3.78Å; V686-L690 HydrophobicContact CG1-CG 4.32Å; V686-L690 VanDerWaalsContact O-CB 3.3Å; V686-L690 WeakPolarHBondContact O-CB 3.41Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.42Å; V686-L690 PolarHBondContact O-N 3.42Å; V686-I735 HydrophobicContact CG1-CG2 4.44Å; V686-L738 HydrophobicContact CB-CB 4.4Å; V686-L738 HydrophobicContact CG2-CB 3.82Å; V686-L738 PolarHBondContact N-O 3.02Å; V686-F740 HydrophobicContact CB-CE2 4.16Å; V686-F740 HydrophobicContact CB-CZ 4.44Å; V686-F740 HydrophobicContact CG1-CE2 4.26Å; V686-F740 HydrophobicContact CG1-CZ 4.15Å; V686-F740 HydrophobicContact CG2-CD1 4.35Å; V686-F740 HydrophobicContact CG2-CD2 3.99Å; V686-F740 HydrophobicContact CG2-CE1 4.26Å; V686-F740 HydrophobicContact CG2-CE2 3.92Å; V686-F740 HydrophobicContact CG2-CG 4.21Å; V686-F740 HydrophobicContact CG2-CZ 4.05Å; V686-T822 HydrophobicContact CG1-CG2 3.63Å |
| 687 | I | 88.8 | Confident | 92 | Very high | 33 Ų | 33 | 20 Ų | 20 | 17% | 0.169 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -52.6 | -179.3 | -68.8 | -173.7 | 0 | 0 | 0 | 111.4 | W629 L685 K689 L690 S691 I735 V736 | W629-I687 HydrophobicContact CH2-CG2 3.5Å; W629-I687 VanDerWaalsContact CH2-CG2 3.5Å; W629-I687 HydrophobicContact CZ2-CG2 3.91Å; L685-I687 PolarHBondContact O-N 3.33Å; I687-K689 VanDerWaalsContact C-N 3.33Å; I687-K689 PolarHBondContact O-N 3.18Å; I687-L690 PolarHBondContact O-N 3.48Å; I687-S691 WeakPolarHBondContact O-CB 3.3Å; I687-S691 PolarHBondContact O-N 3.2Å; I687-S691 PolarHBondContact O-OG 2.97Å; I687-S691 VanDerWaalsContact O-OG 3.11Å; I687-I735 HydrophobicContact CD1-CB 4.43Å; I687-I735 HydrophobicContact CD1-CG2 3.9Å; I687-I735 HydrophobicContact CG1-CG2 3.6Å; I687-V736 HydrophobicContact CD1-CB 3.99Å; I687-V736 HydrophobicContact CD1-CG2 3.48Å; I687-V736 VanDerWaalsContact CD1-CG2 3.48Å |
| 688 | D | 89.8 | Confident | 92.1 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 6% | 0.064 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | -177.6 | -65.8 | -14.9 | 0 | 0 | 0 | 110.2 | R630 Y632 V682 S683 L685 V692 | R630-D688 IonicContact NE-OD1 3.72Å; R630-D688 PolarHBondContact NE-OD1 3.13Å; R630-D688 VanDerWaalsContact NE-OD1 3.17Å; R630-D688 IonicContact NH2-OD1 3.58Å; Y632-D688 HydrophobicContact CE1-CB 4.29Å; Y632-D688 PolarHBondContact OH-OD1 3.5Å; V682-D688 HydrophobicContact CG1-CB 4.02Å; S683-D688 VanDerWaalsContact OG-CB 3.25Å; S683-D688 WeakPolarHBondContact OG-CB 3.46Å; S683-D688 PolarHBondContact OG-OD2 3.27Å; L685-D688 HydrophobicContact CB-CB 4.26Å; L685-D688 PolarHBondContact O-N 3.45Å; D688-V692 WeakPolarHBondContact O-CB 3.16Å; D688-V692 WeakPolarHBondContact O-CG2 3.23Å; D688-V692 PolarHBondContact O-N 3.23Å |
| 689 | K | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | -178.3 | -169.7 | 73.7 | 90.1 | -172.4 | 0 | 112 | P679 V682 S683 L685 I687 V692 I693 F740 T908 N910 | P679-K689 PolarHBondContact O-NZ 3.18Å; V682-K689 PolarHBondContact O-NZ 3.23Å; V682-K689 VanDerWaalsContact O-NZ 3.08Å; S683-K689 WeakPolarHBondContact O-CE 3.44Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.18Å; I687-K689 VanDerWaalsContact C-N 3.33Å; I687-K689 PolarHBondContact O-N 3.18Å; K689-V692 PolarHBondContact O-N 3.43Å; K689-I693 HydrophobicContact CD-CD1 4.36Å; K689-I693 HydrophobicContact CG-CD1 3.9Å; K689-I693 WeakPolarHBondContact O-CB 3.27Å; K689-I693 VanDerWaalsContact O-CG1 3.22Å; K689-I693 WeakPolarHBondContact O-CG1 3.24Å; K689-I693 PolarHBondContact O-N 3.2Å; K689-F740 HydrophobicContact CB-CD2 4.19Å; K689-F740 HydrophobicContact CB-CE2 4.09Å; K689-F740 HydrophobicContact CG-CD2 4.25Å; K689-F740 HydrophobicContact CG-CE2 4.23Å; K689-T908 WeakPolarHBondContact CE-O 3.33Å; K689-T908 HydrophobicContact CG-CG2 4.31Å; K689-N910 PolarHBondContact NZ-O 3.47Å; K689-N910 VanDerWaalsContact NZ-O 3.08Å |
| 690 | L | 92.9 | Very high | 92.4 | Very high | 14 Ų | 14 | 16.3 Ų | 16.3 | 7% | 0.073 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 177.8 | -72.3 | -179.6 | 0 | 0 | 0 | 111.6 | V686 I687 V692 I693 A694 Y721 F740 C818 T822 | V686-L690 HydrophobicContact CG1-CD1 3.78Å; V686-L690 HydrophobicContact CG1-CG 4.32Å; V686-L690 VanDerWaalsContact O-CB 3.3Å; V686-L690 WeakPolarHBondContact O-CB 3.41Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.42Å; V686-L690 PolarHBondContact O-N 3.42Å; I687-L690 PolarHBondContact O-N 3.48Å; L690-V692 VanDerWaalsContact C-N 3.35Å; L690-V692 PolarHBondContact O-N 3.21Å; L690-I693 PolarHBondContact O-N 2.95Å; L690-A694 PolarHBondContact O-N 3.1Å; L690-Y721 HydrophobicContact CB-CE1 4.23Å; L690-Y721 HydrophobicContact CD1-CE1 4.23Å; L690-Y721 PolarHBondContact O-OH 3.47Å; L690-F740 HydrophobicContact CD2-CZ 4.31Å; L690-F740 HydrophobicContact CG-CE2 4.45Å; L690-F740 HydrophobicContact CG-CZ 4.38Å; L690-C818 HydrophobicContact CD2-CB 3.64Å; L690-T822 HydrophobicContact CD1-CG2 4.38Å |
| 691 | S | 92 | Very high | 92.6 | Very high | 22 Ų | 22 | 14.1 Ų | 14.1 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 176.1 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | I687 A694 F695 | I687-S691 WeakPolarHBondContact O-CB 3.3Å; I687-S691 PolarHBondContact O-N 3.2Å; I687-S691 PolarHBondContact O-OG 2.97Å; I687-S691 VanDerWaalsContact O-OG 3.11Å; S691-A694 PolarHBondContact O-N 3.47Å; S691-F695 VanDerWaalsContact O-CD2 3.24Å; S691-F695 WeakPolarHBondContact O-CD2 3.27Å; S691-F695 PolarHBondContact O-N 3.47Å |
| 692 | V | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | -179.5 | 170 | 0 | 0 | 0 | 0 | 111.9 | Y632 F678 P679 V682 D688 K689 L690 A694 F695 S696 | Y632-V692 HydrophobicContact CD2-CG2 3.67Å; Y632-V692 HydrophobicContact CE2-CG2 3.42Å; Y632-V692 VanDerWaalsContact CE2-CG2 3.42Å; Y632-V692 HydrophobicContact CG-CG2 4.47Å; F678-V692 HydrophobicContact CD1-CG1 3.47Å; F678-V692 VanDerWaalsContact CD1-CG1 3.47Å; F678-V692 HydrophobicContact CE1-CG1 3.66Å; F678-V692 HydrophobicContact CE1-CG2 4.47Å; P679-V692 HydrophobicContact CG-CG1 4.46Å; V682-V692 HydrophobicContact CB-CG2 4.16Å; V682-V692 HydrophobicContact CG1-CG2 4.01Å; V682-V692 HydrophobicContact CG2-CG1 4.14Å; V682-V692 HydrophobicContact CG2-CG2 3.86Å; D688-V692 WeakPolarHBondContact O-CB 3.16Å; D688-V692 WeakPolarHBondContact O-CG2 3.23Å; D688-V692 PolarHBondContact O-N 3.23Å; K689-V692 PolarHBondContact O-N 3.43Å; L690-V692 VanDerWaalsContact C-N 3.35Å; L690-V692 PolarHBondContact O-N 3.21Å; V692-A694 PolarHBondContact O-N 3Å; V692-F695 PolarHBondContact O-N 3.12Å; V692-S696 WeakPolarHBondContact O-CB 3.28Å; V692-S696 PolarHBondContact O-N 3.3Å; V692-S696 PolarHBondContact O-OG 2.99Å |
| 693 | I | 95 | Very high | 93.2 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 176.1 | -69.1 | 169.3 | 0 | 0 | 0 | 110.3 | P679 K689 L690 S696 L697 I815 T908 | P679-I693 HydrophobicContact CB-CG1 3.83Å; P679-I693 HydrophobicContact CG-CG1 3.9Å; K689-I693 HydrophobicContact CD-CD1 4.36Å; K689-I693 HydrophobicContact CG-CD1 3.9Å; K689-I693 WeakPolarHBondContact O-CB 3.27Å; K689-I693 VanDerWaalsContact O-CG1 3.22Å; K689-I693 WeakPolarHBondContact O-CG1 3.24Å; K689-I693 PolarHBondContact O-N 3.2Å; L690-I693 PolarHBondContact O-N 2.95Å; I693-S696 WeakPolarHBondContact CA-OG 3.16Å; I693-S696 PolarHBondContact O-OG 3.32Å; I693-S696 VanDerWaalsContact O-OG 3.11Å; I693-L697 HydrophobicContact CG2-CD1 3.69Å; I693-L697 HydrophobicContact CG2-CG 4.25Å; I693-L697 WeakPolarHBondContact O-CB 3.28Å; I693-L697 VanDerWaalsContact O-CG 3.26Å; I693-L697 WeakPolarHBondContact O-CG 3.49Å; I693-L697 PolarHBondContact O-N 3.39Å; I693-I815 HydrophobicContact CG2-CD1 3.82Å; I693-T908 HydrophobicContact CD1-CG2 4.21Å |
| 694 | A | 95.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 9.1 Ų | 9.1 | 7% | 0.074 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L690 S691 V692 L698 T717 Y721 I815 | L690-A694 PolarHBondContact O-N 3.1Å; S691-A694 PolarHBondContact O-N 3.47Å; V692-A694 PolarHBondContact O-N 3Å; A694-L698 WeakPolarHBondContact O-CB 3.48Å; A694-L698 PolarHBondContact O-N 2.92Å; A694-L698 VanDerWaalsContact O-N 3.08Å; A694-T717 HydrophobicContact CB-CG2 3.85Å; A694-Y721 WeakPolarHBondContact CB-OH 3.34Å; A694-I815 HydrophobicContact CB-CD1 4.15Å |
| 695 | F | 95.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 9 Ų | 9 | 11% | 0.105 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | -178.4 | -85.1 | -107.4 | 0 | 0 | 0 | 112.5 | W619 T623 L626 F633 L636 S691 V692 | W619-F695 AromaticContact CE2-CE1 3.68Å; W619-F695 HydrophobicContact CH2-CZ 4.15Å; W619-F695 HydrophobicContact CZ2-CD1 4.17Å; W619-F695 HydrophobicContact CZ2-CD2 4.46Å; W619-F695 AromaticContact CZ2-CE1 3.58Å; W619-F695 HydrophobicContact CZ2-CE1 3.58Å; W619-F695 AromaticContact CZ2-CE2 3.94Å; W619-F695 HydrophobicContact CZ2-CE2 3.94Å; W619-F695 AromaticContact CZ2-CZ 3.45Å; W619-F695 HydrophobicContact CZ2-CZ 3.45Å; W619-F695 VanDerWaalsContact CZ2-CZ 3.45Å; W619-F695 AromaticContact NE1-CD1 3.6Å; W619-F695 AromaticContact NE1-CE1 3.5Å; T623-F695 HydrophobicContact CG2-CD1 4.4Å; T623-F695 HydrophobicContact CG2-CE1 4.48Å; L626-F695 HydrophobicContact CD1-CE1 3.73Å; L626-F695 HydrophobicContact CD1-CE2 4.21Å; L626-F695 HydrophobicContact CD1-CZ 3.34Å; F633-F695 HydrophobicContact CE1-CD1 4.18Å; F633-F695 HydrophobicContact CE1-CD2 4.24Å; F633-F695 HydrophobicContact CE1-CE1 4.26Å; F633-F695 HydrophobicContact CE1-CE2 4.31Å; F633-F695 HydrophobicContact CE1-CG 4.17Å; F633-F695 HydrophobicContact CE1-CZ 4.33Å; L636-F695 HydrophobicContact CD1-CB 3.8Å; L636-F695 HydrophobicContact CD1-CG 4.42Å; L636-F695 HydrophobicContact CD2-CB 4.18Å; S691-F695 VanDerWaalsContact O-CD2 3.24Å; S691-F695 WeakPolarHBondContact O-CD2 3.27Å; S691-F695 PolarHBondContact O-N 3.47Å; V692-F695 PolarHBondContact O-N 3.12Å |
| 696 | S | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.3 | -45.1 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | S675 V692 I693 L698 L699 P700 | S675-S696 WeakPolarHBondContact CB-O 3.48Å; S675-S696 WeakPolarHBondContact O-CB 3.46Å; S675-S696 PolarHBondContact O-OG 3.15Å; V692-S696 WeakPolarHBondContact O-CB 3.28Å; V692-S696 PolarHBondContact O-N 3.3Å; V692-S696 PolarHBondContact O-OG 2.99Å; I693-S696 WeakPolarHBondContact CA-OG 3.16Å; I693-S696 PolarHBondContact O-OG 3.32Å; I693-S696 VanDerWaalsContact O-OG 3.11Å; S696-L698 VanDerWaalsContact C-N 3.31Å; S696-L698 PolarHBondContact O-N 2.84Å; S696-L699 WeakPolarHBondContact O-CB 3.29Å; S696-L699 WeakPolarHBondContact O-CG 3.26Å; S696-L699 PolarHBondContact O-N 3.42Å; S696-P700 VanDerWaalsContact O-CD 3.23Å; S696-P700 WeakPolarHBondContact O-CD 3.41Å |
| 697 | L | 96.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -70.9 | -24.3 | 178.9 | -65.6 | -178.4 | 0 | 0 | 0 | 113.5 | F676 I693 L699 P700 F701 I811 M814 I815 | F676-L697 HydrophobicContact CD1-CD2 3.9Å; F676-L697 HydrophobicContact CE1-CD2 3.48Å; F676-L697 VanDerWaalsContact CE1-CD2 3.48Å; F676-L697 HydrophobicContact CE2-CD2 4.46Å; F676-L697 HydrophobicContact CZ-CD2 3.77Å; I693-L697 HydrophobicContact CG2-CD1 3.69Å; I693-L697 HydrophobicContact CG2-CG 4.25Å; I693-L697 WeakPolarHBondContact O-CB 3.28Å; I693-L697 VanDerWaalsContact O-CG 3.26Å; I693-L697 WeakPolarHBondContact O-CG 3.49Å; I693-L697 PolarHBondContact O-N 3.39Å; L697-L699 PolarHBondContact O-N 3.3Å; L697-P700 VanDerWaalsContact O-CD 3.24Å; L697-P700 WeakPolarHBondContact O-CD 3.33Å; L697-P700 VanDerWaalsContact O-CG 3.29Å; L697-P700 WeakPolarHBondContact O-CG 3.49Å; L697-F701 WeakPolarHBondContact O-CB 3.49Å; L697-F701 PolarHBondContact O-N 3.23Å; L697-I811 HydrophobicContact CB-CG1 4.39Å; L697-I811 HydrophobicContact CB-CG2 3.82Å; L697-I811 HydrophobicContact CD1-CG2 4.45Å; L697-I811 HydrophobicContact CD2-CG1 4.36Å; L697-M814 HydrophobicContact CD1-CB 3.98Å; L697-M814 HydrophobicContact CD1-CE 4.36Å; L697-M814 HydrophobicContact CD1-SD 4.28Å; L697-I815 HydrophobicContact CD1-CD1 4.2Å |
| 698 | L | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.2 | -27.2 | 173.4 | 176.1 | 63.3 | 0 | 0 | 0 | 112.5 | F615 W619 A694 S696 F701 T702 P710 F713 V714 | F615-L698 HydrophobicContact CE1-CD1 4.05Å; F615-L698 HydrophobicContact CE1-CD2 4.21Å; F615-L698 HydrophobicContact CE1-CG 4.42Å; F615-L698 HydrophobicContact CZ-CD1 3.91Å; F615-L698 HydrophobicContact CZ-CD2 3.87Å; F615-L698 HydrophobicContact CZ-CG 4.39Å; W619-L698 HydrophobicContact CD2-CD2 3.92Å; W619-L698 HydrophobicContact CG-CD2 4.06Å; W619-L698 HydrophobicContact CZ2-CD2 3.79Å; A694-L698 WeakPolarHBondContact O-CB 3.48Å; A694-L698 PolarHBondContact O-N 2.92Å; A694-L698 VanDerWaalsContact O-N 3.08Å; S696-L698 VanDerWaalsContact C-N 3.31Å; S696-L698 PolarHBondContact O-N 2.84Å; L698-F701 HydrophobicContact CD1-CD1 4.49Å; L698-F701 PolarHBondContact O-N 3.16Å; L698-T702 WeakPolarHBondContact CD1-OG1 3.18Å; L698-T702 WeakPolarHBondContact O-CB 3.15Å; L698-T702 PolarHBondContact O-N 3.43Å; L698-T702 PolarHBondContact O-OG1 2.84Å; L698-P710 HydrophobicContact CD1-CB 4.27Å; L698-F713 HydrophobicContact CB-CD1 4.19Å; L698-F713 HydrophobicContact CB-CE1 3.92Å; L698-F713 HydrophobicContact CD1-CD1 3.65Å; L698-F713 HydrophobicContact CD1-CE1 4.28Å; L698-F713 HydrophobicContact CD1-CG 4.37Å; L698-F713 HydrophobicContact CG-CD1 4.41Å; L698-V714 HydrophobicContact CD2-CG2 4.09Å |
| 699 | L | 96.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60.2 | -61.7 | 179.3 | -56.7 | 170 | 0 | 0 | 0 | 112 | M639 Q640 S696 L697 F701 T702 L703 | M639-L699 HydrophobicContact CB-CD1 3.65Å; M639-L699 HydrophobicContact CB-CD2 4.42Å; M639-L699 HydrophobicContact CG-CD1 4.42Å; M639-L699 HydrophobicContact SD-CD1 4.05Å; Q640-L699 HydrophobicContact CB-CD2 4.2Å; Q640-L699 VanDerWaalsContact OE1-CD2 3.28Å; S696-L699 WeakPolarHBondContact O-CB 3.29Å; S696-L699 WeakPolarHBondContact O-CG 3.26Å; S696-L699 PolarHBondContact O-N 3.42Å; L697-L699 PolarHBondContact O-N 3.3Å; L699-F701 VanDerWaalsContact C-N 3.25Å; L699-F701 PolarHBondContact O-N 2.92Å; L699-T702 PolarHBondContact O-N 3.47Å; L699-L703 WeakPolarHBondContact O-CG 3.13Å; L699-L703 PolarHBondContact O-N 2.86Å |
| 700 | P | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.6 | -32.1 | 177.9 | 30.2 | -39.6 | 0 | 0 | 0 | 112.2 | L672 S675 S696 L697 T702 L703 M704 I811 | L672-P700 HydrophobicContact CD1-CB 3.26Å; L672-P700 HydrophobicContact CD1-CG 4.19Å; S675-P700 WeakPolarHBondContact OG-CG 3.19Å; S696-P700 VanDerWaalsContact O-CD 3.23Å; S696-P700 WeakPolarHBondContact O-CD 3.41Å; L697-P700 VanDerWaalsContact O-CD 3.24Å; L697-P700 WeakPolarHBondContact O-CD 3.33Å; L697-P700 VanDerWaalsContact O-CG 3.29Å; L697-P700 WeakPolarHBondContact O-CG 3.49Å; P700-T702 VanDerWaalsContact C-N 3.32Å; P700-T702 PolarHBondContact O-N 3Å; P700-L703 PolarHBondContact O-N 3.09Å; P700-M704 HydrophobicContact CB-CE 4.22Å; P700-M704 VanDerWaalsContact O-CE 3.23Å; P700-M704 WeakPolarHBondContact O-CE 3.24Å; P700-M704 WeakPolarHBondContact O-CG 3.32Å; P700-M704 PolarHBondContact O-N 2.83Å; P700-M704 VanDerWaalsContact O-N 3.15Å; P700-I811 HydrophobicContact CB-CD1 4.45Å; P700-I811 HydrophobicContact CG-CD1 3.87Å |
| 701 | F | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.4 | -168.6 | -92 | 0 | 0 | 0 | 111.8 | L697 L698 L699 M704 S705 E709 F713 T775 K808 I811 P812 | L697-F701 WeakPolarHBondContact O-CB 3.49Å; L697-F701 PolarHBondContact O-N 3.23Å; L698-F701 HydrophobicContact CD1-CD1 4.49Å; L698-F701 PolarHBondContact O-N 3.16Å; L699-F701 VanDerWaalsContact C-N 3.25Å; L699-F701 PolarHBondContact O-N 2.92Å; F701-M704 CarbonylContact O-C 3.59Å; F701-M704 PolarHBondContact O-N 3.38Å; F701-S705 PolarHBondContact O-N 3.31Å; F701-S705 PolarHBondContact O-OG 3.45Å; F701-E709 HydrophobicContact CE1-CB 3.8Å; F701-E709 WeakPolarHBondContact CE1-O 3.46Å; F701-E709 HydrophobicContact CZ-CB 4.03Å; F701-F713 HydrophobicContact CD1-CB 3.98Å; F701-F713 HydrophobicContact CD1-CG 4.26Å; F701-F713 HydrophobicContact CD2-CD2 4.47Å; F701-F713 HydrophobicContact CE1-CB 3.75Å; F701-F713 HydrophobicContact CE1-CG 4.4Å; F701-F713 HydrophobicContact CG-CD2 4.49Å; F701-F713 HydrophobicContact CZ-CB 4.27Å; F701-T775 HydrophobicContact CE2-CG2 3.45Å; F701-T775 VanDerWaalsContact CE2-CG2 3.45Å; F701-T775 HydrophobicContact CZ-CG2 3.68Å; F701-K808 HydrophobicContact CD2-CG 3.92Å; F701-K808 HydrophobicContact CE2-CG 3.84Å; F701-I811 HydrophobicContact CB-CD1 4.17Å; F701-I811 HydrophobicContact CB-CG2 4.39Å; F701-I811 HydrophobicContact CD2-CB 4.37Å; F701-I811 HydrophobicContact CD2-CD1 4.39Å; F701-I811 HydrophobicContact CD2-CG2 4.07Å; F701-P812 HydrophobicContact CE2-CG 4.44Å |
| 702 | T | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | V612 F615 C616 T643 L698 L699 P700 M704 S705 P710 | V612-T702 HydrophobicContact CG1-CG2 4.09Å; F615-T702 HydrophobicContact CD1-CG2 4.4Å; C616-T702 WeakPolarHBondContact SG-CG2 3.43Å; T643-T702 HydrophobicContact CG2-CG2 4.31Å; L698-T702 WeakPolarHBondContact CD1-OG1 3.18Å; L698-T702 WeakPolarHBondContact O-CB 3.15Å; L698-T702 PolarHBondContact O-N 3.43Å; L698-T702 PolarHBondContact O-OG1 2.84Å; L699-T702 PolarHBondContact O-N 3.47Å; P700-T702 VanDerWaalsContact C-N 3.32Å; P700-T702 PolarHBondContact O-N 3Å; T702-M704 PolarHBondContact O-N 2.96Å; T702-M704 VanDerWaalsContact O-N 3.16Å; T702-S705 WeakPolarHBondContact O-CB 3.32Å; T702-S705 PolarHBondContact O-N 2.89Å; T702-S705 VanDerWaalsContact O-N 3.09Å; T702-P710 HydrophobicContact CG2-CB 4.49Å; T702-P710 HydrophobicContact CG2-CG 4.12Å |
| 703 | L | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.4 | -23.9 | 175.7 | -68.6 | 174.3 | 0 | 0 | 0 | 113.4 | T643 A646 M647 C668 L671 L699 P700 L791 F792 | T643-L703 HydrophobicContact CG2-CD2 3.79Å; T643-L703 HydrophobicContact CG2-CG 3.97Å; A646-L703 HydrophobicContact CB-CD2 4Å; M647-L703 HydrophobicContact SD-CD2 4.29Å; C668-L703 HydrophobicContact CB-CD1 4.31Å; L671-L703 HydrophobicContact CB-CD1 4.15Å; L671-L703 HydrophobicContact CD1-CD1 4.14Å; L699-L703 WeakPolarHBondContact O-CG 3.13Å; L699-L703 PolarHBondContact O-N 2.86Å; P700-L703 PolarHBondContact O-N 3.09Å; L703-L791 HydrophobicContact CD2-CD1 3.96Å; L703-F792 HydrophobicContact CB-CE2 4.09Å; L703-F792 HydrophobicContact CB-CZ 4Å; L703-F792 HydrophobicContact CD1-CZ 4.22Å |
| 704 | M | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 16.6 | 179.3 | -63.3 | -176.3 | -71.1 | 0 | 0 | 113 | P700 F701 T702 F788 F792 L804 K808 I811 | P700-M704 HydrophobicContact CB-CE 4.22Å; P700-M704 VanDerWaalsContact O-CE 3.23Å; P700-M704 WeakPolarHBondContact O-CE 3.24Å; P700-M704 WeakPolarHBondContact O-CG 3.32Å; P700-M704 PolarHBondContact O-N 2.83Å; P700-M704 VanDerWaalsContact O-N 3.15Å; F701-M704 CarbonylContact O-C 3.59Å; F701-M704 PolarHBondContact O-N 3.38Å; T702-M704 PolarHBondContact O-N 2.96Å; T702-M704 VanDerWaalsContact O-N 3.16Å; M704-F788 HydrophobicContact CB-CD2 4.25Å; M704-F792 HydrophobicContact CG-CD2 4.48Å; M704-F792 HydrophobicContact CG-CE2 3.63Å; M704-F792 HydrophobicContact CG-CZ 4.24Å; M704-L804 HydrophobicContact SD-CB 3.98Å; M704-L804 HydrophobicContact SD-CD2 4.37Å; M704-L804 VanDerWaalsContact SD-O 3.4Å; M704-K808 HydrophobicContact CB-CD 4.01Å; M704-K808 HydrophobicContact CB-CG 4.46Å; M704-K808 HydrophobicContact CE-CB 3.72Å; M704-K808 HydrophobicContact CE-CG 4.22Å; M704-K808 WeakPolarHBondContact O-CE 3.16Å; M704-K808 PolarHBondContact O-NZ 3.3Å; M704-K808 HydrophobicContact SD-CB 4.19Å; M704-I811 HydrophobicContact CE-CD1 4.34Å |
| 705 | S | 91.9 | Very high | 94 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | trans | -105.2 | 145.1 | -177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | F701 T702 P710 | F701-S705 PolarHBondContact O-N 3.31Å; F701-S705 PolarHBondContact O-OG 3.45Å; T702-S705 WeakPolarHBondContact O-CB 3.32Å; T702-S705 PolarHBondContact O-N 2.89Å; T702-S705 VanDerWaalsContact O-N 3.09Å; S705-P710 WeakPolarHBondContact OG-CG 3.33Å | ||
| 706 | V | 88.6 | Confident | 94 | Very high | 24 Ų | 24 | 9.6 Ų | 9.6 | 15% | 0.145 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -113.6 | -11.7 | -176.8 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | R608 Y609 E709 F788 | R608-V706 CarbonylContact C-O 3.47Å; R608-V706 PolarHBondContact N-O 2.95Å; Y609-V706 HydrophobicContact CE1-CB 4.34Å; Y609-V706 HydrophobicContact CE1-CG1 4.35Å; V706-E709 WeakPolarHBondContact CG2-OE1 3.4Å; V706-E709 PolarHBondContact N-OE1 3.46Å; V706-E709 VanDerWaalsContact N-OE1 3.1Å; V706-E709 PolarHBondContact N-OE2 3.23Å; V706-F788 HydrophobicContact CG1-CB 4.12Å |
| 707 | S | 89.3 | Confident | 94 | Very high | 4 Ų | 4 | 10 Ų | 10 | 3% | 0.028 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -154.9 | -127.1 | -168.4 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | Q605 V612 E709 | Q605-S707 PolarHBondContact NE2-OG 3.22Å; Q605-S707 PolarHBondContact OE1-OG 3.36Å; V612-S707 WeakPolarHBondContact CG2-O 3.36Å; S707-E709 WeakPolarHBondContact CA-OE2 3.32Å; S707-E709 WeakPolarHBondContact CB-OE2 3.35Å; S707-E709 PolarHBondContact N-OE2 2.84Å |
| 708 | Y | 90.2 | Very high | 94 | Very high | 22 Ų | 22 | 13.8 Ų | 13.8 | 9% | 0.086 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -84.6 | -0.5 | -173.8 | 60.3 | -102.5 | 0 | 0 | 0 | 115 | R559 F597 L600 P710 L711 F712 | R559-Y708 PolarHBondContact NH1-OH 2.88Å; F597-Y708 HydrophobicContact CB-CE2 4.44Å; F597-Y708 AromaticContact CD1-CD2 3.4Å; F597-Y708 HydrophobicContact CD1-CD2 3.4Å; F597-Y708 AromaticContact CD1-CE2 3.78Å; F597-Y708 HydrophobicContact CD1-CE2 3.78Å; F597-Y708 HydrophobicContact CD1-CG 4.16Å; F597-Y708 AromaticContact CE1-CD2 3.86Å; F597-Y708 HydrophobicContact CE1-CD2 3.86Å; F597-Y708 HydrophobicContact CE1-CG 4.34Å; L600-Y708 HydrophobicContact CB-CD1 4.38Å; L600-Y708 HydrophobicContact CB-CE1 3.61Å; L600-Y708 HydrophobicContact CD1-CD1 3.8Å; L600-Y708 HydrophobicContact CD1-CD2 4.44Å; L600-Y708 HydrophobicContact CD1-CE1 3.86Å; L600-Y708 HydrophobicContact CD1-CE2 4.49Å; L600-Y708 HydrophobicContact CD1-CG 4.11Å; L600-Y708 HydrophobicContact CG-CE1 4.37Å; L600-Y708 PolarHBondContact O-OH 3.45Å; L600-Y708 VanDerWaalsContact O-OH 3.1Å; Y708-P710 VanDerWaalsContact C-CD 3.44Å; Y708-L711 WeakPolarHBondContact O-CB 3.31Å; Y708-L711 PolarHBondContact O-N 3.24Å; Y708-L711 VanDerWaalsContact O-N 3.16Å; Y708-F712 PolarHBondContact O-N 2.85Å |
| 709 | E | 91 | Very high | 93.9 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 5% | 0.051 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.1 | -41 | -169 | -49.5 | 97.5 | 117.4 | 0 | 0 | 114.2 | F701 V706 S707 L711 F712 F713 K808 | F701-E709 HydrophobicContact CE1-CB 3.8Å; F701-E709 WeakPolarHBondContact CE1-O 3.46Å; F701-E709 HydrophobicContact CZ-CB 4.03Å; V706-E709 WeakPolarHBondContact CG2-OE1 3.4Å; V706-E709 PolarHBondContact N-OE1 3.46Å; V706-E709 VanDerWaalsContact N-OE1 3.1Å; V706-E709 PolarHBondContact N-OE2 3.23Å; S707-E709 WeakPolarHBondContact CA-OE2 3.32Å; S707-E709 WeakPolarHBondContact CB-OE2 3.35Å; S707-E709 PolarHBondContact N-OE2 2.84Å; E709-L711 VanDerWaalsContact C-N 3.26Å; E709-L711 PolarHBondContact O-N 3.5Å; E709-F712 WeakPolarHBondContact O-CB 3.39Å; E709-F712 PolarHBondContact O-N 2.62Å; E709-F712 VanDerWaalsContact O-N 3.14Å; E709-F713 PolarHBondContact O-N 3.32Å; E709-K808 IonicContact OE1-NZ 4Å; E709-K808 PolarHBondContact OE1-NZ 2.91Å |
| 710 | P | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -35.3 | -179.6 | -24.8 | 36 | 0 | 0 | 0 | 112.8 | V612 F615 L698 T702 S705 Y708 F713 V714 | V612-P710 HydrophobicContact CG1-CG 4.42Å; F615-P710 HydrophobicContact CD1-CB 3.39Å; F615-P710 HydrophobicContact CD1-CG 4.22Å; F615-P710 HydrophobicContact CD2-CB 4.18Å; F615-P710 HydrophobicContact CE1-CB 3.28Å; F615-P710 HydrophobicContact CE1-CG 4.42Å; F615-P710 HydrophobicContact CE2-CB 4.07Å; F615-P710 HydrophobicContact CG-CB 3.85Å; F615-P710 HydrophobicContact CZ-CB 3.64Å; L698-P710 HydrophobicContact CD1-CB 4.27Å; T702-P710 HydrophobicContact CG2-CB 4.49Å; T702-P710 HydrophobicContact CG2-CG 4.12Å; S705-P710 WeakPolarHBondContact OG-CG 3.33Å; Y708-P710 VanDerWaalsContact C-CD 3.44Å; P710-F713 PolarHBondContact O-N 3.48Å; P710-V714 PolarHBondContact O-N 3.11Å |
| 711 | L | 93.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 16.7 Ų | 16.7 | 44% | 0.435 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -67 | -42.2 | 175.8 | -179 | 63.5 | 0 | 0 | 0 | 111.2 | F597 F615 Y708 E709 F713 V714 I715 | F597-L711 HydrophobicContact CE1-CD2 4.31Å; F597-L711 HydrophobicContact CE1-CG 4.45Å; F597-L711 HydrophobicContact CZ-CB 4.47Å; F597-L711 HydrophobicContact CZ-CD2 3.96Å; F597-L711 HydrophobicContact CZ-CG 3.92Å; F615-L711 HydrophobicContact CD2-CB 4.24Å; Y708-L711 WeakPolarHBondContact O-CB 3.31Å; Y708-L711 PolarHBondContact O-N 3.24Å; Y708-L711 VanDerWaalsContact O-N 3.16Å; E709-L711 VanDerWaalsContact C-N 3.26Å; E709-L711 PolarHBondContact O-N 3.5Å; L711-F713 VanDerWaalsContact C-N 3.33Å; L711-F713 PolarHBondContact O-N 3.24Å; L711-V714 PolarHBondContact O-N 2.64Å; L711-I715 HydrophobicContact CD1-CD1 4.18Å; L711-I715 HydrophobicContact CG-CD1 4.05Å; L711-I715 WeakPolarHBondContact O-CG1 3.47Å; L711-I715 PolarHBondContact O-N 3.05Å; L711-I715 VanDerWaalsContact O-N 3.14Å |
| 712 | F | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 172.6 | 163 | -96.9 | 0 | 0 | 0 | 111 | F597 Y708 E709 V714 I715 Y716 L770 | F597-F712 HydrophobicContact CB-CD2 4.04Å; F597-F712 HydrophobicContact CD1-CB 4.02Å; F597-F712 HydrophobicContact CD2-CB 4.3Å; F597-F712 HydrophobicContact CD2-CD2 4.01Å; F597-F712 HydrophobicContact CE1-CB 4.19Å; F597-F712 HydrophobicContact CE2-CB 4.49Å; F597-F712 HydrophobicContact CG-CB 4.06Å; F597-F712 HydrophobicContact CG-CD2 4.03Å; F597-F712 HydrophobicContact CG-CG 4.5Å; F597-F712 HydrophobicContact CZ-CB 4.44Å; Y708-F712 PolarHBondContact O-N 2.85Å; E709-F712 WeakPolarHBondContact O-CB 3.39Å; E709-F712 PolarHBondContact O-N 2.62Å; E709-F712 VanDerWaalsContact O-N 3.14Å; F712-V714 VanDerWaalsContact C-N 3.3Å; F712-V714 PolarHBondContact O-N 2.65Å; F712-I715 PolarHBondContact O-N 2.67Å; F712-Y716 HydrophobicContact CZ-CD2 4.13Å; F712-Y716 HydrophobicContact CZ-CG 4.31Å; F712-Y716 VanDerWaalsContact O-CB 3.23Å; F712-Y716 WeakPolarHBondContact O-CB 3.35Å; F712-Y716 PolarHBondContact O-N 3.35Å; F712-L770 HydrophobicContact CE2-CD1 4.07Å; F712-L770 HydrophobicContact CE2-CG 4.11Å; F712-L770 HydrophobicContact CZ-CD1 4.42Å; F712-L770 HydrophobicContact CZ-CG 4.11Å; F712-L770 VanDerWaalsContact CZ-O 3.28Å; F712-L770 WeakPolarHBondContact CZ-O 3.35Å |
| 713 | F | 94.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | -179.4 | 179.1 | -92.6 | 0 | 0 | 0 | 113 | L698 F701 E709 P710 L711 T717 I811 P812 I815 | L698-F713 HydrophobicContact CB-CD1 4.19Å; L698-F713 HydrophobicContact CB-CE1 3.92Å; L698-F713 HydrophobicContact CD1-CD1 3.65Å; L698-F713 HydrophobicContact CD1-CE1 4.28Å; L698-F713 HydrophobicContact CD1-CG 4.37Å; L698-F713 HydrophobicContact CG-CD1 4.41Å; F701-F713 HydrophobicContact CD1-CB 3.98Å; F701-F713 HydrophobicContact CD1-CG 4.26Å; F701-F713 HydrophobicContact CD2-CD2 4.47Å; F701-F713 HydrophobicContact CE1-CB 3.75Å; F701-F713 HydrophobicContact CE1-CG 4.4Å; F701-F713 HydrophobicContact CG-CD2 4.49Å; F701-F713 HydrophobicContact CZ-CB 4.27Å; E709-F713 PolarHBondContact O-N 3.32Å; P710-F713 PolarHBondContact O-N 3.48Å; L711-F713 VanDerWaalsContact C-N 3.33Å; L711-F713 PolarHBondContact O-N 3.24Å; F713-T717 WeakPolarHBondContact O-CB 3.42Å; F713-T717 PolarHBondContact O-N 3.41Å; F713-T717 PolarHBondContact O-OG1 2.96Å; F713-I811 HydrophobicContact CD2-CG2 4.2Å; F713-I811 HydrophobicContact CE2-CG2 3.39Å; F713-I811 HydrophobicContact CZ-CG2 3.77Å; F713-P812 HydrophobicContact CD2-CG 4.3Å; F713-P812 HydrophobicContact CE2-CG 4.44Å; F713-I815 HydrophobicContact CE2-CG1 4.01Å; F713-I815 HydrophobicContact CZ-CD1 4.28Å; F713-I815 HydrophobicContact CZ-CG1 3.74Å |
| 714 | V | 95.5 | Very high | 93 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 9% | 0.085 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.8 | -48.3 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | F615 W619 L698 P710 L711 F712 Y716 T717 M718 | F615-V714 HydrophobicContact CE2-CG2 3.78Å; F615-V714 HydrophobicContact CZ-CG2 3.72Å; W619-V714 HydrophobicContact CD2-CG2 4.45Å; W619-V714 HydrophobicContact CE3-CG2 4.03Å; W619-V714 HydrophobicContact CH2-CB 4.25Å; W619-V714 HydrophobicContact CH2-CG1 3.61Å; W619-V714 HydrophobicContact CH2-CG2 3.56Å; W619-V714 HydrophobicContact CZ2-CG2 4.01Å; W619-V714 HydrophobicContact CZ3-CB 4.2Å; W619-V714 HydrophobicContact CZ3-CG1 3.51Å; W619-V714 HydrophobicContact CZ3-CG2 3.59Å; L698-V714 HydrophobicContact CD2-CG2 4.09Å; P710-V714 PolarHBondContact O-N 3.11Å; L711-V714 PolarHBondContact O-N 2.64Å; F712-V714 VanDerWaalsContact C-N 3.3Å; F712-V714 PolarHBondContact O-N 2.65Å; V714-Y716 VanDerWaalsContact C-N 3.34Å; V714-Y716 PolarHBondContact O-N 3.11Å; V714-T717 PolarHBondContact O-N 2.85Å; V714-M718 HydrophobicContact CG1-CE 4.47Å; V714-M718 HydrophobicContact CG1-SD 4.21Å; V714-M718 WeakPolarHBondContact O-CG 3.46Å; V714-M718 PolarHBondContact O-N 3.33Å |
| 715 | I | 95.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 18.7 Ų | 18.7 | 13% | 0.128 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | -179.9 | -69.7 | 166.9 | 0 | 0 | 0 | 110.3 | L590 A593 E594 F597 L711 F712 T717 M718 H719 | L590-I715 HydrophobicContact CD2-CG2 4.07Å; A593-I715 HydrophobicContact CB-CD1 4.22Å; A593-I715 HydrophobicContact CB-CG2 4.08Å; E594-I715 HydrophobicContact CG-CG2 3.83Å; F597-I715 HydrophobicContact CE2-CD1 3.51Å; F597-I715 HydrophobicContact CZ-CD1 3.73Å; L711-I715 HydrophobicContact CD1-CD1 4.18Å; L711-I715 HydrophobicContact CG-CD1 4.05Å; L711-I715 WeakPolarHBondContact O-CG1 3.47Å; L711-I715 PolarHBondContact O-N 3.05Å; L711-I715 VanDerWaalsContact O-N 3.14Å; F712-I715 PolarHBondContact O-N 2.67Å; I715-T717 PolarHBondContact O-N 3.25Å; I715-M718 PolarHBondContact O-N 3.29Å; I715-H719 WeakPolarHBondContact O-CB 3.19Å; I715-H719 PolarHBondContact O-N 3.01Å |
| 716 | Y | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.4 | -49.8 | 173.3 | 171.9 | -98.7 | 0 | 0 | 0 | 112.2 | F712 V714 M718 H719 M720 F767 L770 P812 I815 | F712-Y716 HydrophobicContact CZ-CD2 4.13Å; F712-Y716 HydrophobicContact CZ-CG 4.31Å; F712-Y716 VanDerWaalsContact O-CB 3.23Å; F712-Y716 WeakPolarHBondContact O-CB 3.35Å; F712-Y716 PolarHBondContact O-N 3.35Å; V714-Y716 VanDerWaalsContact C-N 3.34Å; V714-Y716 PolarHBondContact O-N 3.11Å; Y716-M718 PolarHBondContact O-N 2.84Å; Y716-H719 PolarHBondContact O-N 3.39Å; Y716-M720 HydrophobicContact CE1-SD 3.93Å; Y716-M720 HydrophobicContact CE2-SD 4.46Å; Y716-M720 WeakPolarHBondContact O-CG 3.45Å; Y716-M720 PolarHBondContact O-N 3.46Å; Y716-F767 HydrophobicContact CD2-CD1 4.34Å; Y716-F767 HydrophobicContact CE2-CB 4.16Å; Y716-F767 AromaticContact CE2-CD1 3.87Å; Y716-F767 HydrophobicContact CE2-CD1 3.87Å; Y716-F767 HydrophobicContact CE2-CG 4.5Å; Y716-F767 WeakPolarHBondContact CE2-O 3.4Å; Y716-F767 PolarHBondContact OH-O 3.14Å; Y716-L770 HydrophobicContact CD2-CD2 3.91Å; Y716-L770 HydrophobicContact CD2-CG 4.14Å; Y716-L770 HydrophobicContact CE2-CB 4.39Å; Y716-L770 HydrophobicContact CE2-CD2 4.32Å; Y716-L770 HydrophobicContact CE2-CG 4.39Å; Y716-P812 HydrophobicContact CE1-CB 3.98Å; Y716-I815 HydrophobicContact CE1-CG2 4.39Å |
| 717 | T | 96 | Very high | 92.5 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 5% | 0.049 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | A694 F713 V714 I715 H719 M720 Y721 I815 | A694-T717 HydrophobicContact CB-CG2 3.85Å; F713-T717 WeakPolarHBondContact O-CB 3.42Å; F713-T717 PolarHBondContact O-N 3.41Å; F713-T717 PolarHBondContact O-OG1 2.96Å; V714-T717 PolarHBondContact O-N 2.85Å; I715-T717 PolarHBondContact O-N 3.25Å; T717-H719 VanDerWaalsContact C-N 3.35Å; T717-H719 PolarHBondContact O-N 2.9Å; T717-M720 PolarHBondContact O-N 2.91Å; T717-Y721 HydrophobicContact CG2-CD2 4.23Å; T717-Y721 HydrophobicContact CG2-CE1 4.12Å; T717-Y721 HydrophobicContact CG2-CE2 3.62Å; T717-Y721 PolarHBondContact O-N 3.3Å; T717-Y721 VanDerWaalsContact O-N 3.09Å; T717-I815 HydrophobicContact CG2-CG2 4.07Å |
| 718 | M | 95 | Very high | 92.1 | Very high | 82 Ų | 82 | 18.9 Ų | 18.9 | 40% | 0.404 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.2 | -75.5 | -176.7 | 156.1 | 0 | 0 | 111.4 | L590 V714 I715 Y716 M720 Y721 V722 | L590-M718 HydrophobicContact CD1-CB 4.27Å; L590-M718 HydrophobicContact CD2-CB 4.15Å; V714-M718 HydrophobicContact CG1-CE 4.47Å; V714-M718 HydrophobicContact CG1-SD 4.21Å; V714-M718 WeakPolarHBondContact O-CG 3.46Å; V714-M718 PolarHBondContact O-N 3.33Å; I715-M718 PolarHBondContact O-N 3.29Å; Y716-M718 PolarHBondContact O-N 2.84Å; M718-M720 VanDerWaalsContact C-N 3.35Å; M718-M720 PolarHBondContact O-N 2.66Å; M718-Y721 PolarHBondContact O-N 3.09Å; M718-V722 WeakPolarHBondContact O-CG2 3.2Å; M718-V722 PolarHBondContact O-N 2.9Å |
| 719 | H | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 179 | -170.2 | -175.4 | 0 | 0 | 0 | 111.6 | F587 L590 C591 E594 I715 Y716 T717 Y721 V722 W723 F767 | F587-H719 AromaticContact CD1-NE2 3.97Å; F587-H719 AromaticContact CE1-NE2 3.43Å; F587-H719 WeakPolarHBondContact CE1-NE2 3.41Å; F587-H719 AromaticContact CE2-CD2 3.74Å; F587-H719 AromaticContact CE2-NE2 3.5Å; F587-H719 WeakPolarHBondContact CE2-NE2 3.1Å; F587-H719 AromaticContact CZ-CD2 3.93Å; F587-H719 AromaticContact CZ-NE2 3.18Å; F587-H719 WeakPolarHBondContact CZ-NE2 3.18Å; L590-H719 HydrophobicContact CB-CB 4.19Å; L590-H719 HydrophobicContact CD1-CB 4.24Å; C591-H719 VanDerWaalsContact SG-CE1 3.58Å; E594-H719 WeakPolarHBondContact OE1-CB 3.46Å; E594-H719 IonicContact OE1-CG 3.75Å; E594-H719 IonicContact OE1-ND1 2.6Å; E594-H719 PolarHBondContact OE1-ND1 2.65Å; E594-H719 IonicContact OE2-CE1 3.54Å; E594-H719 PolarHBondContact OE2-CE1 3.44Å; E594-H719 IonicContact OE2-ND1 2.99Å; E594-H719 PolarHBondContact OE2-ND1 3.26Å; I715-H719 WeakPolarHBondContact O-CB 3.19Å; I715-H719 PolarHBondContact O-N 3.01Å; Y716-H719 PolarHBondContact O-N 3.39Å; T717-H719 VanDerWaalsContact C-N 3.35Å; T717-H719 PolarHBondContact O-N 2.9Å; H719-Y721 VanDerWaalsContact C-N 3.35Å; H719-Y721 PolarHBondContact O-N 2.93Å; H719-V722 PolarHBondContact O-N 3.36Å; H719-W723 WeakPolarHBondContact O-CB 3.43Å; H719-W723 PolarHBondContact O-N 3.02Å; H719-F767 HydrophobicContact CB-CE1 4.37Å; H719-F767 AromaticContact CG-CE1 3.91Å; H719-F767 AromaticContact ND1-CE1 3.71Å |
| 720 | M | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.6 | -67.1 | -154.7 | 80.6 | 0 | 0 | 113 | Y716 T717 M718 W723 I724 F767 I815 A816 C819 | Y716-M720 HydrophobicContact CE1-SD 3.93Å; Y716-M720 HydrophobicContact CE2-SD 4.46Å; Y716-M720 WeakPolarHBondContact O-CG 3.45Å; Y716-M720 PolarHBondContact O-N 3.46Å; T717-M720 PolarHBondContact O-N 2.91Å; M718-M720 VanDerWaalsContact C-N 3.35Å; M718-M720 PolarHBondContact O-N 2.66Å; M720-W723 HydrophobicContact CE-CE3 3.93Å; M720-W723 HydrophobicContact CE-CZ3 3.7Å; M720-W723 WeakPolarHBondContact O-CB 3.38Å; M720-W723 PolarHBondContact O-N 3.37Å; M720-I724 VanDerWaalsContact O-CG1 3.31Å; M720-I724 WeakPolarHBondContact O-CG1 3.48Å; M720-I724 PolarHBondContact O-N 3.1Å; M720-F767 HydrophobicContact CE-CB 3.81Å; M720-F767 HydrophobicContact CE-CD1 4.49Å; M720-F767 HydrophobicContact CE-CD2 3.76Å; M720-F767 HydrophobicContact CE-CE2 4.46Å; M720-F767 HydrophobicContact CE-CG 3.78Å; M720-F767 HydrophobicContact CG-CD1 3.71Å; M720-F767 HydrophobicContact CG-CD2 4.29Å; M720-F767 HydrophobicContact CG-CE1 3.88Å; M720-F767 HydrophobicContact CG-CE2 4.43Å; M720-F767 HydrophobicContact CG-CG 3.95Å; M720-F767 HydrophobicContact CG-CZ 4.24Å; M720-F767 HydrophobicContact SD-CB 4.13Å; M720-F767 HydrophobicContact SD-CD1 4.37Å; M720-F767 HydrophobicContact SD-CG 4.16Å; M720-I815 HydrophobicContact SD-CG2 4.25Å; M720-A816 HydrophobicContact CE-CB 3.99Å; M720-A816 VanDerWaalsContact SD-CA 3.59Å; M720-A816 HydrophobicContact SD-CB 3.97Å; M720-C819 HydrophobicContact CB-CB 4.38Å; M720-C819 HydrophobicContact CE-CB 3.53Å; M720-C819 HydrophobicContact SD-CB 4.24Å |
| 721 | Y | 92.6 | Very high | 89.2 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.2 | -36.6 | 177.5 | -67 | -12.8 | 0 | 0 | 0 | 112.9 | L690 A694 T717 M718 H719 I724 A725 | L690-Y721 HydrophobicContact CB-CE1 4.23Å; L690-Y721 HydrophobicContact CD1-CE1 4.23Å; L690-Y721 PolarHBondContact O-OH 3.47Å; A694-Y721 WeakPolarHBondContact CB-OH 3.34Å; T717-Y721 HydrophobicContact CG2-CD2 4.23Å; T717-Y721 HydrophobicContact CG2-CE1 4.12Å; T717-Y721 HydrophobicContact CG2-CE2 3.62Å; T717-Y721 PolarHBondContact O-N 3.3Å; T717-Y721 VanDerWaalsContact O-N 3.09Å; M718-Y721 PolarHBondContact O-N 3.09Å; H719-Y721 VanDerWaalsContact C-N 3.35Å; H719-Y721 PolarHBondContact O-N 2.93Å; Y721-I724 HydrophobicContact CD1-CD1 4.24Å; Y721-I724 WeakPolarHBondContact O-CB 3.49Å; Y721-A725 PolarHBondContact O-N 3.48Å; Y721-A725 VanDerWaalsContact O-N 3.15Å |
| 722 | V | 91.4 | Very high | 87.9 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | L583 F586 F587 L590 M718 H719 I724 A725 V726 | L583-V722 HydrophobicContact CD1-CG1 3.65Å; L583-V722 HydrophobicContact CG-CG1 4.18Å; F586-V722 HydrophobicContact CD1-CG1 4.44Å; F586-V722 HydrophobicContact CD1-CG2 3.5Å; F586-V722 HydrophobicContact CE1-CG2 3.39Å; F587-V722 HydrophobicContact CB-CG1 4.04Å; F587-V722 HydrophobicContact CD2-CB 4.4Å; F587-V722 HydrophobicContact CD2-CG1 3.71Å; F587-V722 HydrophobicContact CG-CG1 4.36Å; L590-V722 HydrophobicContact CD1-CB 4.45Å; L590-V722 HydrophobicContact CD1-CG2 3.85Å; M718-V722 WeakPolarHBondContact O-CG2 3.2Å; M718-V722 PolarHBondContact O-N 2.9Å; H719-V722 PolarHBondContact O-N 3.36Å; V722-I724 PolarHBondContact O-N 3.11Å; V722-A725 WeakPolarHBondContact O-CB 3.49Å; V722-A725 PolarHBondContact O-N 2.91Å; V722-A725 VanDerWaalsContact O-N 3.12Å; V722-V726 HydrophobicContact CG1-CG2 4.48Å; V722-V726 WeakPolarHBondContact O-CG2 3.39Å; V722-V726 PolarHBondContact O-N 2.93Å |
| 723 | W | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.9 | 168.8 | 52.4 | 0 | 0 | 0 | 112.2 | F587 H719 M720 A725 V726 E727 R760 F763 F764 F767 L823 | F587-W723 HydrophobicContact CE2-CB 4.21Å; H719-W723 WeakPolarHBondContact O-CB 3.43Å; H719-W723 PolarHBondContact O-N 3.02Å; M720-W723 HydrophobicContact CE-CE3 3.93Å; M720-W723 HydrophobicContact CE-CZ3 3.7Å; M720-W723 WeakPolarHBondContact O-CB 3.38Å; M720-W723 PolarHBondContact O-N 3.37Å; W723-A725 VanDerWaalsContact C-N 3.33Å; W723-A725 PolarHBondContact O-N 3.25Å; W723-V726 PolarHBondContact O-N 2.95Å; W723-E727 VanDerWaalsContact NE1-CG 3.34Å; W723-E727 PolarHBondContact NE1-OE1 3.36Å; W723-E727 VanDerWaalsContact NE1-OE1 3.08Å; W723-E727 WeakPolarHBondContact O-CG 3.22Å; W723-E727 PolarHBondContact O-N 3.48Å; W723-R760 HydrophobicContact CZ2-CB 4.45Å; W723-F763 HydrophobicContact CZ2-CB 4.01Å; W723-F763 AromaticContact NE1-CD2 3.63Å; W723-F764 HydrophobicContact CH2-CB 4.25Å; W723-F767 HydrophobicContact CB-CE2 4.17Å; W723-F767 HydrophobicContact CB-CZ 4.26Å; W723-F767 HydrophobicContact CD2-CD2 4.35Å; W723-F767 AromaticContact CD2-CE2 3.7Å; W723-F767 HydrophobicContact CD2-CE2 3.7Å; W723-F767 AromaticContact CE3-CD2 3.94Å; W723-F767 HydrophobicContact CE3-CD2 3.94Å; W723-F767 AromaticContact CE3-CE2 3.65Å; W723-F767 HydrophobicContact CE3-CE2 3.65Å; W723-F767 AromaticContact CG-CE2 3.93Å; W723-F767 HydrophobicContact CG-CE2 3.93Å; W723-F767 HydrophobicContact CG-CZ 4.48Å; W723-F767 HydrophobicContact CZ3-CD2 4.15Å; W723-F767 HydrophobicContact CZ3-CE2 4.29Å; W723-L823 HydrophobicContact CH2-CD2 3.7Å; W723-L823 HydrophobicContact CZ2-CD2 3.49Å; W723-L823 VanDerWaalsContact CZ2-CD2 3.49Å; W723-L823 HydrophobicContact CZ3-CD2 4.48Å |
| 724 | I | 89.4 | Confident | 85.5 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54 | -49.4 | 172.2 | -71.3 | 173.8 | 0 | 0 | 0 | 110.7 | M720 Y721 V722 V726 E727 M728 C819 T822 | M720-I724 VanDerWaalsContact O-CG1 3.31Å; M720-I724 WeakPolarHBondContact O-CG1 3.48Å; M720-I724 PolarHBondContact O-N 3.1Å; Y721-I724 HydrophobicContact CD1-CD1 4.24Å; Y721-I724 WeakPolarHBondContact O-CB 3.49Å; V722-I724 PolarHBondContact O-N 3.11Å; I724-V726 VanDerWaalsContact C-N 3.32Å; I724-V726 PolarHBondContact O-N 3.49Å; I724-E727 PolarHBondContact O-N 3.4Å; I724-M728 HydrophobicContact CB-CE 4.42Å; I724-M728 HydrophobicContact CG2-CE 3.13Å; I724-M728 HydrophobicContact CG2-SD 3.82Å; I724-M728 VanDerWaalsContact O-CG 3.25Å; I724-M728 WeakPolarHBondContact O-CG 3.28Å; I724-M728 PolarHBondContact O-N 3.28Å; I724-M728 VanDerWaalsContact O-N 3.16Å; I724-C819 HydrophobicContact CD1-CB 3.67Å; I724-C819 HydrophobicContact CG1-CB 4.22Å; I724-T822 HydrophobicContact CG2-CG2 4.29Å |
| 725 | A | 86.8 | Confident | 84.3 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y721 V722 W723 | Y721-A725 PolarHBondContact O-N 3.48Å; Y721-A725 VanDerWaalsContact O-N 3.15Å; V722-A725 WeakPolarHBondContact O-CB 3.49Å; V722-A725 PolarHBondContact O-N 2.91Å; V722-A725 VanDerWaalsContact O-N 3.12Å; W723-A725 VanDerWaalsContact C-N 3.33Å; W723-A725 PolarHBondContact O-N 3.25Å |
| 726 | V | 88.4 | Confident | 83.4 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | W572 I573 L576 L583 F587 V722 W723 I724 M728 | W572-V726 HydrophobicContact CH2-CG1 3.69Å; W572-V726 HydrophobicContact CZ2-CG1 4.32Å; W572-V726 HydrophobicContact CZ3-CG1 4.38Å; I573-V726 HydrophobicContact CD1-CB 4.36Å; I573-V726 HydrophobicContact CD1-CG1 3.61Å; I573-V726 HydrophobicContact CD1-CG2 3.73Å; L576-V726 HydrophobicContact CD1-CG1 3.74Å; L583-V726 HydrophobicContact CD2-CG2 3.66Å; L583-V726 HydrophobicContact CG-CG2 4.03Å; F587-V726 HydrophobicContact CD2-CG2 4.37Å; V722-V726 HydrophobicContact CG1-CG2 4.48Å; V722-V726 WeakPolarHBondContact O-CG2 3.39Å; V722-V726 PolarHBondContact O-N 2.93Å; W723-V726 PolarHBondContact O-N 2.95Å; I724-V726 VanDerWaalsContact C-N 3.32Å; I724-V726 PolarHBondContact O-N 3.49Å; V726-M728 VanDerWaalsContact C-N 3.32Å; V726-M728 PolarHBondContact O-N 3.13Å |
| 727 | E | 87.8 | Confident | 82.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.6 | -23.7 | -175.7 | -70.7 | -77.2 | 177.6 | 0 | 0 | 114.7 | W723 I724 E729 R759 R760 L823 | W723-E727 VanDerWaalsContact NE1-CG 3.34Å; W723-E727 PolarHBondContact NE1-OE1 3.36Å; W723-E727 VanDerWaalsContact NE1-OE1 3.08Å; W723-E727 WeakPolarHBondContact O-CG 3.22Å; W723-E727 PolarHBondContact O-N 3.48Å; I724-E727 PolarHBondContact O-N 3.4Å; E727-E729 VanDerWaalsContact C-N 3.26Å; E727-E729 PolarHBondContact O-N 3.43Å; E727-R759 VanDerWaalsContact CD-NH1 3.26Å; E727-R759 IonicContact OE1-CZ 2.82Å; E727-R759 IonicContact OE1-NH1 3.52Å; E727-R759 PolarHBondContact OE1-NH1 2.91Å; E727-R759 IonicContact OE1-NH2 3.33Å; E727-R759 IonicContact OE2-CZ 3.2Å; E727-R759 IonicContact OE2-NH1 3.81Å; E727-R759 PolarHBondContact OE2-NH1 3.5Å; E727-R759 IonicContact OE2-NH2 3.44Å; E727-R759 PolarHBondContact OE2-NH2 3.09Å; E727-R760 IonicContact OE2-CZ 3.52Å; E727-R760 IonicContact OE2-NE 3.39Å; E727-R760 PolarHBondContact OE2-NE 3.29Å; E727-R760 IonicContact OE2-NH2 3.61Å; E727-L823 HydrophobicContact CB-CD1 3.33Å; E727-L823 HydrophobicContact CG-CD1 3.95Å; E727-L823 HydrophobicContact CG-CD2 4.25Å |
| 728 | M | 81 | Confident | 81.8 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.069 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.7 | -178.6 | -76.1 | 176.9 | -174.8 | 0 | 0 | 113.1 | I724 V726 M730 I735 T822 F826 | I724-M728 HydrophobicContact CB-CE 4.42Å; I724-M728 HydrophobicContact CG2-CE 3.13Å; I724-M728 HydrophobicContact CG2-SD 3.82Å; I724-M728 VanDerWaalsContact O-CG 3.25Å; I724-M728 WeakPolarHBondContact O-CG 3.28Å; I724-M728 PolarHBondContact O-N 3.28Å; I724-M728 VanDerWaalsContact O-N 3.16Å; V726-M728 VanDerWaalsContact C-N 3.32Å; V726-M728 PolarHBondContact O-N 3.13Å; M728-M730 HydrophobicContact CB-CB 4.27Å; M728-M730 WeakPolarHBondContact O-CB 3.46Å; M728-M730 WeakPolarHBondContact O-CG 3.48Å; M728-M730 PolarHBondContact O-N 2.94Å; M728-I735 HydrophobicContact SD-CD1 3.71Å; M728-I735 HydrophobicContact SD-CG1 3.85Å; M728-T822 HydrophobicContact CE-CG2 3.86Å; M728-F826 HydrophobicContact CE-CB 3.84Å; M728-F826 HydrophobicContact CE-CD1 3.69Å; M728-F826 HydrophobicContact CE-CD2 3.17Å; M728-F826 HydrophobicContact CE-CE1 3.85Å; M728-F826 HydrophobicContact CE-CE2 3.3Å; M728-F826 HydrophobicContact CE-CG 3.3Å; M728-F826 HydrophobicContact CE-CZ 3.63Å; M728-F826 HydrophobicContact CG-CB 3.9Å; M728-F826 HydrophobicContact CG-CD1 3.8Å; M728-F826 HydrophobicContact CG-CE1 4.39Å; M728-F826 HydrophobicContact CG-CG 3.92Å; M728-F826 HydrophobicContact SD-CB 4.27Å; M728-F826 HydrophobicContact SD-CD1 3.34Å; M728-F826 WeakPolarHBondContact SD-CD1 3.37Å; M728-F826 HydrophobicContact SD-CD2 4Å; M728-F826 HydrophobicContact SD-CE1 3.35Å; M728-F826 WeakPolarHBondContact SD-CE1 3.44Å; M728-F826 HydrophobicContact SD-CE2 3.96Å; M728-F826 HydrophobicContact SD-CG 3.63Å; M728-F826 HydrophobicContact SD-CZ 3.63Å |
| 729 | E | 76.9 | Confident | 81.3 | Confident | 180 Ų | 180 | 54.9 Ų | 54.9 | 84% | 0.841 | 28% | 0.278 | S | S | * | . | trans | 50.1 | 16.8 | -174.9 | -61 | 179.3 | -179.7 | 0 | 0 | 113.7 | E727 | E727-E729 VanDerWaalsContact C-N 3.26Å; E727-E729 PolarHBondContact O-N 3.43Å | ||
| 730 | M | 68.8 | Low | 80.8 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -118.1 | 149 | -169 | -73.9 | -107.1 | -75.1 | 0 | 0 | 110.8 | M728 W734 | M728-M730 HydrophobicContact CB-CB 4.27Å; M728-M730 WeakPolarHBondContact O-CB 3.46Å; M728-M730 WeakPolarHBondContact O-CG 3.48Å; M728-M730 PolarHBondContact O-N 2.94Å; M730-W734 HydrophobicContact CE-CB 4.01Å; M730-W734 HydrophobicContact CE-CD2 3.71Å; M730-W734 HydrophobicContact CE-CE3 3.78Å; M730-W734 HydrophobicContact CE-CG 3.82Å; M730-W734 HydrophobicContact CE-CZ3 4.5Å |
| 731 | P | 67.4 | Low | 80.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | trans | -66 | 141.2 | 176.7 | 23.8 | -29.3 | 0 | 0 | 0 | 111.7 | S733 W734 | P731-S733 PolarHBondContact O-N 3.48Å; P731-W734 PolarHBondContact O-N 3.25Å | ||
| 732 | L | 66.6 | Low | 79.3 | Confident | 121 Ų | 121 | 65.3 Ų | 65.3 | 63% | 0.634 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -52.9 | -25.6 | -176.3 | -169.6 | 65.8 | 0 | 0 | 0 | 114 | W734 I735 | L732-W734 PolarHBondContact O-N 2.91Å; L732-I735 HydrophobicContact CD1-CD1 3.96Å; L732-I735 PolarHBondContact O-N 3.38Å |
| 733 | S | 71.3 | Confident | 78.4 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -26.6 | 178.3 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | P731 | P731-S733 PolarHBondContact O-N 3.48Å |
| 734 | W | 67.7 | Low | 77.3 | Confident | 150 Ų | 150 | 69 Ų | 69 | 57% | 0.568 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -72.9 | -41.4 | 176.2 | -83.7 | 73.7 | 0 | 0 | 0 | 111.9 | M730 P731 L732 V736 K737 L738 | M730-W734 HydrophobicContact CE-CB 4.01Å; M730-W734 HydrophobicContact CE-CD2 3.71Å; M730-W734 HydrophobicContact CE-CE3 3.78Å; M730-W734 HydrophobicContact CE-CG 3.82Å; M730-W734 HydrophobicContact CE-CZ3 4.5Å; P731-W734 PolarHBondContact O-N 3.25Å; L732-W734 PolarHBondContact O-N 2.91Å; W734-V736 PolarHBondContact O-N 3.48Å; W734-V736 VanDerWaalsContact O-N 3.16Å; W734-K737 PolarHBondContact O-N 3.29Å; W734-L738 VanDerWaalsContact O-CD1 3.23Å; W734-L738 WeakPolarHBondContact O-CD1 3.32Å |
| 735 | I | 69.6 | Low | 76 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.7 | -33.8 | -177.7 | -62.3 | 166.6 | 0 | 0 | 0 | 111.2 | V686 I687 M728 L732 K737 L738 F826 | V686-I735 HydrophobicContact CG1-CG2 4.44Å; I687-I735 HydrophobicContact CD1-CB 4.43Å; I687-I735 HydrophobicContact CD1-CG2 3.9Å; I687-I735 HydrophobicContact CG1-CG2 3.6Å; M728-I735 HydrophobicContact SD-CD1 3.71Å; M728-I735 HydrophobicContact SD-CG1 3.85Å; L732-I735 HydrophobicContact CD1-CD1 3.96Å; L732-I735 PolarHBondContact O-N 3.38Å; I735-K737 PolarHBondContact O-N 3.19Å; I735-L738 PolarHBondContact O-N 3.42Å; I735-F826 HydrophobicContact CB-CZ 4.42Å; I735-F826 HydrophobicContact CG1-CE1 3.84Å; I735-F826 HydrophobicContact CG1-CZ 3.87Å |
| 736 | V | 77.2 | Confident | 74.5 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 42% | 0.418 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.8 | 177.6 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | I687 W734 | I687-V736 HydrophobicContact CD1-CB 3.99Å; I687-V736 HydrophobicContact CD1-CG2 3.48Å; I687-V736 VanDerWaalsContact CD1-CG2 3.48Å; W734-V736 PolarHBondContact O-N 3.48Å; W734-V736 VanDerWaalsContact O-N 3.16Å |
| 737 | K | 78.2 | Confident | 73 | Confident | 180 Ų | 180 | 77.1 Ų | 77.1 | 78% | 0.783 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6 | -175.2 | -64.7 | -176 | -179.8 | 179.9 | 0 | 113.9 | W734 I735 | W734-K737 PolarHBondContact O-N 3.29Å; I735-K737 PolarHBondContact O-N 3.19Å |
| 738 | L | 79.5 | Confident | 71.2 | Confident | 22 Ų | 22 | 79.4 Ų | 79.4 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | trans | -81.4 | 143 | -176 | -96.2 | 107.1 | 0 | 0 | 0 | 112.6 | L685 V686 W734 I735 E743 F826 | L685-L738 CarbonylContact C-O 3.59Å; L685-L738 WeakPolarHBondContact CA-O 3.18Å; V686-L738 HydrophobicContact CB-CB 4.4Å; V686-L738 HydrophobicContact CG2-CB 3.82Å; V686-L738 PolarHBondContact N-O 3.02Å; W734-L738 VanDerWaalsContact O-CD1 3.23Å; W734-L738 WeakPolarHBondContact O-CD1 3.32Å; I735-L738 PolarHBondContact O-N 3.42Å; L738-E743 HydrophobicContact CD2-CG 3.88Å; L738-F826 HydrophobicContact CB-CZ 4.25Å; L738-F826 HydrophobicContact CD1-CD1 4.36Å; L738-F826 HydrophobicContact CD1-CE1 3.42Å; L738-F826 VanDerWaalsContact CD1-CE1 3.42Å; L738-F826 HydrophobicContact CD1-CE2 4.42Å; L738-F826 HydrophobicContact CD1-CZ 3.51Å; L738-F826 HydrophobicContact CD2-CD2 4.16Å; L738-F826 HydrophobicContact CD2-CE1 4.02Å; L738-F826 HydrophobicContact CD2-CE2 3.71Å; L738-F826 HydrophobicContact CD2-CZ 3.65Å; L738-F826 HydrophobicContact CG-CE1 4.29Å; L738-F826 HydrophobicContact CG-CE2 4.48Å; L738-F826 HydrophobicContact CG-CZ 3.98Å | ||
| 739 | D | 85.1 | Confident | 69.9 | Low | 36 Ų | 36 | 88.1 Ų | 88.1 | 19% | 0.193 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -126.3 | 123.5 | -179.3 | -178.4 | -5 | 0 | 0 | 0 | 109.8 | T684 L685 W741 R742 E743 | T684-D739 WeakPolarHBondContact CB-OD1 3.34Å; T684-D739 VanDerWaalsContact O-OD1 3.1Å; T684-D739 VanDerWaalsContact OG1-CG 3.24Å; T684-D739 PolarHBondContact OG1-OD1 3.28Å; T684-D739 PolarHBondContact OG1-OD2 3.37Å; L685-D739 HydrophobicContact CD2-CB 4.43Å; D739-W741 PolarHBondContact O-N 2.96Å; D739-W741 WeakPolarHBondContact OD1-CB 3.12Å; D739-W741 PolarHBondContact OD1-N 2.62Å; D739-R742 HydrophobicContact CB-CB 4.14Å; D739-R742 PolarHBondContact O-N 3.3Å; D739-E743 PolarHBondContact O-N 3.01Å |
| 740 | F | 85.7 | Confident | 68.6 | Low | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.8 | -34.7 | 177.1 | -80.8 | -65.5 | 0 | 0 | 0 | 112.9 | T684 V686 K689 L690 G744 R821 T822 L825 T908 | T684-F740 PolarHBondContact O-N 3.28Å; V686-F740 HydrophobicContact CB-CE2 4.16Å; V686-F740 HydrophobicContact CB-CZ 4.44Å; V686-F740 HydrophobicContact CG1-CE2 4.26Å; V686-F740 HydrophobicContact CG1-CZ 4.15Å; V686-F740 HydrophobicContact CG2-CD1 4.35Å; V686-F740 HydrophobicContact CG2-CD2 3.99Å; V686-F740 HydrophobicContact CG2-CE1 4.26Å; V686-F740 HydrophobicContact CG2-CE2 3.92Å; V686-F740 HydrophobicContact CG2-CG 4.21Å; V686-F740 HydrophobicContact CG2-CZ 4.05Å; K689-F740 HydrophobicContact CB-CD2 4.19Å; K689-F740 HydrophobicContact CB-CE2 4.09Å; K689-F740 HydrophobicContact CG-CD2 4.25Å; K689-F740 HydrophobicContact CG-CE2 4.23Å; L690-F740 HydrophobicContact CD2-CZ 4.31Å; L690-F740 HydrophobicContact CG-CE2 4.45Å; L690-F740 HydrophobicContact CG-CZ 4.38Å; F740-G744 PolarHBondContact O-N 3.48Å; F740-R821 HydrophobicContact CE1-CG 4.31Å; F740-T822 VanDerWaalsContact CZ-OG1 3.32Å; F740-T822 WeakPolarHBondContact CZ-OG1 3.49Å; F740-L825 HydrophobicContact CD1-CD1 3.55Å; F740-L825 HydrophobicContact CE1-CD1 3.91Å; F740-T908 WeakPolarHBondContact CB-O 3.1Å; F740-T908 HydrophobicContact CD2-CG2 4.15Å; F740-T908 HydrophobicContact CE1-CG2 4.41Å; F740-T908 HydrophobicContact CE2-CG2 3.98Å; F740-T908 HydrophobicContact CG-CG2 4.43Å; F740-T908 HydrophobicContact CZ-CG2 4.12Å |
| 741 | W | 79 | Confident | 68.1 | Low | 124 Ų | 124 | 85.9 Ų | 85.9 | 47% | 0.47 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.6 | -48.1 | -178.1 | 178.1 | 80.9 | 0 | 0 | 0 | 111.4 | T684 D739 G744 A745 | T684-W741 HydrophobicContact CG2-CB 4.43Å; D739-W741 PolarHBondContact O-N 2.96Å; D739-W741 WeakPolarHBondContact OD1-CB 3.12Å; D739-W741 PolarHBondContact OD1-N 2.62Å; W741-G744 PolarHBondContact O-N 2.73Å; W741-A745 PolarHBondContact O-N 3.14Å |
| 742 | R | 75.3 | Confident | 67.8 | Low | 159 Ų | 159 | 88 Ų | 88 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.3 | -47.2 | -178.3 | -170.2 | 179.2 | -175.6 | -178.6 | 1.3 | 111.6 | D739 A745 T746 | D739-R742 HydrophobicContact CB-CB 4.14Å; D739-R742 PolarHBondContact O-N 3.3Å; R742-A745 PolarHBondContact O-N 2.95Å; R742-T746 PolarHBondContact O-N 3.04Å; R742-T746 PolarHBondContact O-OG1 2.87Å |
| 743 | E | 73.1 | Confident | 67.8 | Low | 65 Ų | 65 | 85.2 Ų | 85.2 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.3 | -30.9 | -179.7 | -62.4 | -54.6 | 147.7 | 0 | 0 | 112.8 | L738 D739 A745 T746 G747 L825 | L738-E743 HydrophobicContact CD2-CG 3.88Å; D739-E743 PolarHBondContact O-N 3.01Å; E743-A745 VanDerWaalsContact C-N 3.25Å; E743-A745 PolarHBondContact O-N 3.2Å; E743-T746 WeakPolarHBondContact CA-OG1 3.37Å; E743-T746 PolarHBondContact O-N 3.14Å; E743-T746 PolarHBondContact O-OG1 3.23Å; E743-T746 PolarHBondContact OE2-OG1 3.07Å; E743-G747 PolarHBondContact O-N 3.45Å; E743-L825 HydrophobicContact CB-CD1 4.39Å; E743-L825 HydrophobicContact CB-CD2 3.99Å |
| 744 | G | 67.8 | Low | 67.8 | Low | 24 Ų | 24 | 87.1 Ų | 87.1 | 25% | 0.247 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.6 | -32.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | F740 W741 | F740-G744 PolarHBondContact O-N 3.48Å; W741-G744 PolarHBondContact O-N 2.73Å |
| 745 | A | 62.3 | Low | 68 | Low | 79 Ų | 79 | 84.9 Ų | 84.9 | 65% | 0.653 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W741 R742 E743 | W741-A745 PolarHBondContact O-N 3.14Å; R742-A745 PolarHBondContact O-N 2.95Å; E743-A745 VanDerWaalsContact C-N 3.25Å; E743-A745 PolarHBondContact O-N 3.2Å |
| 746 | T | 56.8 | Low | 68.4 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 57% | 0.571 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -87.8 | -6.7 | -177.4 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | R742 E743 S748 | R742-T746 PolarHBondContact O-N 3.04Å; R742-T746 PolarHBondContact O-OG1 2.87Å; E743-T746 WeakPolarHBondContact CA-OG1 3.37Å; E743-T746 PolarHBondContact O-N 3.14Å; E743-T746 PolarHBondContact O-OG1 3.23Å; E743-T746 PolarHBondContact OE2-OG1 3.07Å; T746-S748 PolarHBondContact O-N 3.25Å |
| 747 | G | 55.9 | Low | 68.5 | Low | 46 Ų | 46 | 84.4 Ų | 84.4 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | trans | -42.2 | 119.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E743 K749 | E743-G747 PolarHBondContact O-N 3.45Å; G747-K749 PolarHBondContact O-N 2.87Å | ||
| 748 | S | 51.2 | Low | 68.4 | Low | 57 Ų | 57 | 77.9 Ų | 77.9 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | trans | -63.3 | 115.3 | 178.8 | -179 | 0 | 0 | 0 | 0 | 111.6 | T746 K750 N828 | T746-S748 PolarHBondContact O-N 3.25Å; S748-K750 VanDerWaalsContact C-N 3.25Å; S748-K750 PolarHBondContact O-N 2.77Å; S748-N828 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 749 | K | 52.8 | Low | 68.7 | Low | 197 Ų | 197 | 79.3 Ų | 79.3 | 86% | 0.857 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -2 | 178.9 | -65.8 | -177.1 | -179.7 | 176.8 | 0 | 114.3 | G747 | G747-K749 PolarHBondContact O-N 2.87Š|
| 750 | K | 49 | Very low | 68.7 | Low | 192 Ų | 192 | 78.4 Ų | 78.4 | 84% | 0.835 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 30.8 | -167.7 | -70.5 | -171.4 | 177.5 | -178.9 | 0 | 115.4 | S748 | S748-K750 VanDerWaalsContact C-N 3.25Å; S748-K750 PolarHBondContact O-N 2.77Å |
| 751 | A | 58 | Low | 68.6 | Low | 21 Ų | 21 | 78.5 Ų | 78.5 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 135.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N828 R830 | A751-N828 WeakPolarHBondContact CB-O 3.47Å; A751-R830 HydrophobicContact CB-CG 4.13Å; A751-R830 VanDerWaalsContact O-CD 3.32Å; A751-R830 WeakPolarHBondContact O-CD 3.37Å |
| 752 | V | 62.7 | Low | 68.9 | Low | 123 Ų | 123 | 73.6 Ų | 73.6 | 75% | 0.745 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 143.3 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | K754 | V752-K754 PolarHBondContact O-N 3.42Š|
| 753 | V | 66.3 | Low | 69.6 | Low | 61 Ų | 61 | 66.8 Ų | 66.8 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 122.9 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 110 | T833 | V753-T833 HydrophobicContact CB-CG2 4.1Å; V753-T833 HydrophobicContact CG1-CG2 3.75Å; V753-T833 HydrophobicContact CG2-CG2 3.48Å; V753-T833 VanDerWaalsContact CG2-CG2 3.48Å |
| 754 | K | 71.2 | Confident | 70.4 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 157.6 | 176.3 | -65.1 | 177.9 | -177.6 | 173.9 | 0 | 110.7 | V752 D756 D757 | V752-K754 PolarHBondContact O-N 3.42Å; K754-D756 PolarHBondContact O-N 3.33Å; K754-D757 PolarHBondContact N-OD2 2.97Å; K754-D757 VanDerWaalsContact O-CB 3.31Å; K754-D757 WeakPolarHBondContact O-CB 3.38Å; K754-D757 PolarHBondContact O-N 2.93Å; K754-D757 VanDerWaalsContact O-N 3.08Å |
| 755 | M | 70.7 | Confident | 71.3 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 50% | 0.502 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 176.3 | -160.7 | 63.3 | 178.5 | 0 | 0 | 112.6 | S541 D757 T758 | S541-M755 WeakPolarHBondContact OG-CE 3.45Å; M755-D757 PolarHBondContact O-N 3.33Å; M755-T758 WeakPolarHBondContact O-CB 3.23Å; M755-T758 PolarHBondContact O-N 3.48Å |
| 756 | D | 79 | Confident | 72.6 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -26.8 | 174.2 | -70.4 | -56.1 | 0 | 0 | 0 | 113.4 | K754 T758 R759 R760 | K754-D756 PolarHBondContact O-N 3.33Å; D756-T758 VanDerWaalsContact C-N 3.27Å; D756-T758 PolarHBondContact O-N 3.38Å; D756-R759 PolarHBondContact O-N 3.44Å; D756-R759 IonicContact OD1-CZ 3.45Å; D756-R759 IonicContact OD1-NE 3.33Å; D756-R759 IonicContact OD1-NH2 2.76Å; D756-R759 PolarHBondContact OD1-NH2 3.45Å; D756-R759 VanDerWaalsContact OD1-NH2 3.08Å; D756-R760 VanDerWaalsContact O-CG 3.22Å; D756-R760 WeakPolarHBondContact O-CG 3.14Å; D756-R760 PolarHBondContact O-N 3.26Å |
| 757 | D | 78.5 | Confident | 74.3 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 178 | -62.3 | -30.4 | 0 | 0 | 0 | 111.1 | K754 M755 R760 A761 S829 L834 L837 | K754-D757 PolarHBondContact N-OD2 2.97Å; K754-D757 VanDerWaalsContact O-CB 3.31Å; K754-D757 WeakPolarHBondContact O-CB 3.38Å; K754-D757 PolarHBondContact O-N 2.93Å; K754-D757 VanDerWaalsContact O-N 3.08Å; M755-D757 PolarHBondContact O-N 3.33Å; D757-R760 PolarHBondContact O-N 2.98Å; D757-R760 IonicContact OD1-NH1 3.59Å; D757-A761 VanDerWaalsContact O-CB 3.31Å; D757-A761 WeakPolarHBondContact O-CB 3.49Å; D757-A761 PolarHBondContact O-N 3.49Å; D757-S829 WeakPolarHBondContact OD1-CB 3.26Å; D757-S829 PolarHBondContact OD1-OG 2.92Å; D757-L834 HydrophobicContact CB-CD2 4.06Å; D757-L834 WeakPolarHBondContact O-CD2 3.34Å; D757-L837 HydrophobicContact CB-CD1 4.24Å |
| 758 | T | 77.2 | Confident | 75.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 174.7 | -51.9 | 0 | 0 | 0 | 0 | 111 | M755 D756 R760 A761 L762 | M755-T758 WeakPolarHBondContact O-CB 3.23Å; M755-T758 PolarHBondContact O-N 3.48Å; D756-T758 VanDerWaalsContact C-N 3.27Å; D756-T758 PolarHBondContact O-N 3.38Å; T758-R760 PolarHBondContact O-N 3.06Å; T758-A761 PolarHBondContact O-N 3.34Å; T758-L762 HydrophobicContact CG2-CD1 4.49Å; T758-L762 WeakPolarHBondContact O-CG 3.48Å; T758-L762 PolarHBondContact O-N 3.26Å |
| 759 | R | 84.9 | Confident | 77.7 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 177.9 | 176.4 | 173 | 62.3 | 77.9 | 8.4 | 111.4 | E727 D756 A761 L762 F763 | E727-R759 VanDerWaalsContact CD-NH1 3.26Å; E727-R759 IonicContact OE1-CZ 2.82Å; E727-R759 IonicContact OE1-NH1 3.52Å; E727-R759 PolarHBondContact OE1-NH1 2.91Å; E727-R759 IonicContact OE1-NH2 3.33Å; E727-R759 IonicContact OE2-CZ 3.2Å; E727-R759 IonicContact OE2-NH1 3.81Å; E727-R759 PolarHBondContact OE2-NH1 3.5Å; E727-R759 IonicContact OE2-NH2 3.44Å; E727-R759 PolarHBondContact OE2-NH2 3.09Å; D756-R759 PolarHBondContact O-N 3.44Å; D756-R759 IonicContact OD1-CZ 3.45Å; D756-R759 IonicContact OD1-NE 3.33Å; D756-R759 IonicContact OD1-NH2 2.76Å; D756-R759 PolarHBondContact OD1-NH2 3.45Å; D756-R759 VanDerWaalsContact OD1-NH2 3.08Å; R759-A761 VanDerWaalsContact C-N 3.34Å; R759-A761 PolarHBondContact O-N 2.81Å; R759-L762 PolarHBondContact O-N 3.17Å; R759-F763 HydrophobicContact CG-CD2 4.34Å; R759-F763 HydrophobicContact CG-CE2 3.95Å; R759-F763 HydrophobicContact CG-CZ 4.13Å; R759-F763 PolarHBondContact O-N 3.11Å |
| 760 | R | 86.1 | Confident | 79.5 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.8 | -67.2 | 167.7 | -177.3 | 155.1 | 0.7 | 112.2 | W723 E727 D756 D757 T758 F764 L823 T827 S829 | W723-R760 HydrophobicContact CZ2-CB 4.45Å; E727-R760 IonicContact OE2-CZ 3.52Å; E727-R760 IonicContact OE2-NE 3.39Å; E727-R760 PolarHBondContact OE2-NE 3.29Å; E727-R760 IonicContact OE2-NH2 3.61Å; D756-R760 VanDerWaalsContact O-CG 3.22Å; D756-R760 WeakPolarHBondContact O-CG 3.14Å; D756-R760 PolarHBondContact O-N 3.26Å; D757-R760 PolarHBondContact O-N 2.98Å; D757-R760 IonicContact OD1-NH1 3.59Å; T758-R760 PolarHBondContact O-N 3.06Å; R760-F764 VanDerWaalsContact O-CB 3.27Å; R760-F764 WeakPolarHBondContact O-CB 3.17Å; R760-F764 PolarHBondContact O-N 2.97Å; R760-L823 HydrophobicContact CB-CD2 4.05Å; R760-L823 HydrophobicContact CG-CD2 3.81Å; R760-T827 VanDerWaalsContact NH1-CG2 3.34Å; R760-T827 VanDerWaalsContact NH2-CG2 3.29Å; R760-S829 PolarHBondContact NH1-OG 2.85Å |
| 761 | A | 83.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D757 T758 R759 F764 I765 L834 L837 | D757-A761 VanDerWaalsContact O-CB 3.31Å; D757-A761 WeakPolarHBondContact O-CB 3.49Å; D757-A761 PolarHBondContact O-N 3.49Å; T758-A761 PolarHBondContact O-N 3.34Å; R759-A761 VanDerWaalsContact C-N 3.34Å; R759-A761 PolarHBondContact O-N 2.81Å; A761-F764 PolarHBondContact O-N 2.88Å; A761-I765 VanDerWaalsContact O-CG1 3.24Å; A761-I765 WeakPolarHBondContact O-CG1 3.41Å; A761-I765 PolarHBondContact O-N 3.34Å; A761-L834 HydrophobicContact CB-CD2 4.22Å; A761-L837 HydrophobicContact CB-CB 3.94Å; A761-L837 HydrophobicContact CB-CD1 4.28Å |
| 762 | L | 85.2 | Confident | 82.9 | Confident | 22 Ų | 22 | 31 Ų | 31 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.1 | -68.9 | 173.3 | 0 | 0 | 0 | 112.1 | A545 F548 I549 T758 R759 I765 F766 V841 | A545-L762 HydrophobicContact CB-CD1 3.92Å; A545-L762 HydrophobicContact CB-CD2 4.48Å; F548-L762 HydrophobicContact CD1-CB 4.03Å; F548-L762 HydrophobicContact CD1-CD2 4.03Å; F548-L762 HydrophobicContact CD1-CG 4.44Å; F548-L762 HydrophobicContact CE1-CB 3.98Å; F548-L762 WeakPolarHBondContact CE1-O 3.24Å; I549-L762 HydrophobicContact CD1-CD2 4.2Å; I549-L762 HydrophobicContact CG1-CD2 3.94Å; T758-L762 HydrophobicContact CG2-CD1 4.49Å; T758-L762 WeakPolarHBondContact O-CG 3.48Å; T758-L762 PolarHBondContact O-N 3.26Å; R759-L762 PolarHBondContact O-N 3.17Å; L762-I765 PolarHBondContact O-N 2.9Å; L762-F766 PolarHBondContact O-N 3.34Å; L762-V841 HydrophobicContact CD2-CG2 4.26Å |
| 763 | F | 89.6 | Confident | 83.8 | Confident | 16 Ų | 16 | 25.4 Ų | 25.4 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.6 | -70 | -9.8 | 0 | 0 | 0 | 112.5 | F548 M569 W572 W723 R759 I765 F766 F767 | F548-F763 HydrophobicContact CZ-CD1 4.41Å; M569-F763 HydrophobicContact CE-CB 4.49Å; M569-F763 HydrophobicContact CE-CD1 4.29Å; M569-F763 HydrophobicContact CE-CD2 4.21Å; M569-F763 HydrophobicContact CE-CG 4.09Å; M569-F763 HydrophobicContact CG-CD1 4.02Å; M569-F763 HydrophobicContact CG-CE1 3.66Å; M569-F763 HydrophobicContact CG-CZ 4.05Å; M569-F763 HydrophobicContact SD-CD1 4.02Å; M569-F763 HydrophobicContact SD-CE1 4.28Å; M569-F763 HydrophobicContact SD-CG 4.38Å; W572-F763 AromaticContact CD2-CE2 3.73Å; W572-F763 HydrophobicContact CD2-CE2 3.73Å; W572-F763 AromaticContact CD2-CZ 3.75Å; W572-F763 HydrophobicContact CD2-CZ 3.75Å; W572-F763 AromaticContact CE3-CE2 3.39Å; W572-F763 HydrophobicContact CE3-CE2 3.39Å; W572-F763 AromaticContact CE3-CZ 3.64Å; W572-F763 HydrophobicContact CE3-CZ 3.64Å; W572-F763 HydrophobicContact CG-CZ 4.15Å; W572-F763 AromaticContact CH2-CE2 3.83Å; W572-F763 HydrophobicContact CH2-CE2 3.83Å; W572-F763 HydrophobicContact CZ2-CE2 4.17Å; W572-F763 HydrophobicContact CZ3-CD2 4.27Å; W572-F763 AromaticContact CZ3-CE2 3.43Å; W572-F763 HydrophobicContact CZ3-CE2 3.43Å; W572-F763 VanDerWaalsContact CZ3-CE2 3.43Å; W572-F763 HydrophobicContact CZ3-CZ 4.17Å; W723-F763 HydrophobicContact CZ2-CB 4.01Å; W723-F763 AromaticContact NE1-CD2 3.63Å; R759-F763 HydrophobicContact CG-CD2 4.34Å; R759-F763 HydrophobicContact CG-CE2 3.95Å; R759-F763 HydrophobicContact CG-CZ 4.13Å; R759-F763 PolarHBondContact O-N 3.11Å; F763-I765 VanDerWaalsContact C-N 3.35Å; F763-I765 PolarHBondContact O-N 3.49Å; F763-F766 WeakPolarHBondContact O-CB 3.46Å; F763-F766 PolarHBondContact O-N 3.08Å; F763-F767 WeakPolarHBondContact O-CD2 3.34Å; F763-F767 PolarHBondContact O-N 2.88Å |
| 764 | F | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.1 | 170.7 | -110.1 | 0 | 0 | 0 | 111.9 | W723 R760 A761 F766 F767 L768 A816 L820 V838 V897 | W723-F764 HydrophobicContact CH2-CB 4.25Å; R760-F764 VanDerWaalsContact O-CB 3.27Å; R760-F764 WeakPolarHBondContact O-CB 3.17Å; R760-F764 PolarHBondContact O-N 2.97Å; A761-F764 PolarHBondContact O-N 2.88Å; F764-F766 VanDerWaalsContact C-N 3.33Å; F764-F766 PolarHBondContact O-N 3.22Å; F764-F767 PolarHBondContact O-N 3.28Å; F764-L768 HydrophobicContact CD1-CD1 4.16Å; F764-L768 HydrophobicContact CE1-CD1 3.56Å; F764-L768 HydrophobicContact CE1-CG 4.22Å; F764-L768 HydrophobicContact CE2-CD1 4.35Å; F764-L768 HydrophobicContact CE2-CD2 4.15Å; F764-L768 HydrophobicContact CE2-CG 4.16Å; F764-L768 HydrophobicContact CZ-CD1 3.67Å; F764-L768 HydrophobicContact CZ-CD2 4.02Å; F764-L768 HydrophobicContact CZ-CG 3.96Å; F764-L768 WeakPolarHBondContact O-CG 3.34Å; F764-L768 PolarHBondContact O-N 3.28Å; F764-A816 HydrophobicContact CD2-CB 4.39Å; F764-A816 HydrophobicContact CE2-CB 3.9Å; F764-L820 HydrophobicContact CB-CD1 4.12Å; F764-L820 HydrophobicContact CD1-CD2 3.79Å; F764-L820 HydrophobicContact CD2-CB 3.76Å; F764-L820 HydrophobicContact CD2-CD1 4.29Å; F764-L820 HydrophobicContact CD2-CD2 3.86Å; F764-L820 HydrophobicContact CD2-CG 4.17Å; F764-L820 HydrophobicContact CE1-CD2 3.75Å; F764-L820 HydrophobicContact CE2-CB 3.89Å; F764-L820 HydrophobicContact CE2-CD2 3.83Å; F764-L820 HydrophobicContact CE2-CG 4.41Å; F764-L820 HydrophobicContact CG-CB 4.4Å; F764-L820 HydrophobicContact CG-CD1 4.11Å; F764-L820 HydrophobicContact CG-CD2 3.83Å; F764-L820 HydrophobicContact CG-CG 4.32Å; F764-L820 HydrophobicContact CZ-CD2 3.76Å; F764-V838 HydrophobicContact CD1-CG2 3.83Å; F764-V838 HydrophobicContact CE1-CG2 4.02Å; F764-V897 HydrophobicContact CE1-CG1 3.82Å; F764-V897 HydrophobicContact CZ-CG1 3.7Å |
| 765 | I | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.2 | -63.7 | 167.7 | 0 | 0 | 0 | 110.3 | L552 A761 L762 F763 F767 L768 F769 V838 V841 M893 | L552-I765 HydrophobicContact CD1-CB 4.49Å; L552-I765 HydrophobicContact CD1-CG2 3.8Å; A761-I765 VanDerWaalsContact O-CG1 3.24Å; A761-I765 WeakPolarHBondContact O-CG1 3.41Å; A761-I765 PolarHBondContact O-N 3.34Å; L762-I765 PolarHBondContact O-N 2.9Å; F763-I765 VanDerWaalsContact C-N 3.35Å; F763-I765 PolarHBondContact O-N 3.49Å; I765-F767 VanDerWaalsContact C-N 3.32Å; I765-F767 PolarHBondContact O-N 3.49Å; I765-L768 WeakPolarHBondContact O-CB 3.36Å; I765-L768 PolarHBondContact O-N 2.92Å; I765-L768 VanDerWaalsContact O-N 3.13Å; I765-F769 HydrophobicContact CG2-CD2 3.79Å; I765-F769 HydrophobicContact CG2-CE2 3.66Å; I765-F769 WeakPolarHBondContact O-CD2 3.4Å; I765-F769 PolarHBondContact O-N 2.99Å; I765-V838 HydrophobicContact CD1-CB 4.39Å; I765-V838 HydrophobicContact CD1-CG1 4.35Å; I765-V838 HydrophobicContact CD1-CG2 4.07Å; I765-V838 HydrophobicContact CG1-CG1 4.24Å; I765-V838 HydrophobicContact CG1-CG2 3.98Å; I765-V841 HydrophobicContact CD1-CB 3.44Å; I765-V841 VanDerWaalsContact CD1-CB 3.44Å; I765-V841 HydrophobicContact CD1-CG1 3.42Å; I765-V841 VanDerWaalsContact CD1-CG1 3.42Å; I765-V841 HydrophobicContact CD1-CG2 3.67Å; I765-V841 HydrophobicContact CG2-CG1 4.4Å; I765-M893 HydrophobicContact CG2-CE 4.48Å |
| 766 | F | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.8 | -45.7 | 172.9 | 162 | -93.7 | 0 | 0 | 0 | 112.3 | F548 L552 L562 C565 I566 M569 L762 F763 F764 L768 F769 L770 | F548-F766 HydrophobicContact CE1-CB 4.02Å; F548-F766 HydrophobicContact CZ-CB 3.74Å; F548-F766 HydrophobicContact CZ-CD2 4.48Å; F548-F766 HydrophobicContact CZ-CG 4.3Å; L552-F766 HydrophobicContact CD2-CB 4.27Å; L552-F766 HydrophobicContact CD2-CD2 4.12Å; L562-F766 HydrophobicContact CD2-CD2 4.32Å; L562-F766 HydrophobicContact CD2-CE2 4.03Å; C565-F766 HydrophobicContact CB-CD2 3.57Å; C565-F766 HydrophobicContact CB-CE2 3.63Å; I566-F766 HydrophobicContact CD1-CZ 4.47Å; I566-F766 HydrophobicContact CG1-CE2 3.89Å; I566-F766 HydrophobicContact CG1-CZ 3.53Å; M569-F766 HydrophobicContact CE-CD1 4.29Å; M569-F766 HydrophobicContact CE-CE1 4.32Å; M569-F766 HydrophobicContact SD-CD1 3.3Å; M569-F766 WeakPolarHBondContact SD-CD1 3.44Å; M569-F766 HydrophobicContact SD-CE1 3.38Å; M569-F766 WeakPolarHBondContact SD-CE1 3.23Å; M569-F766 HydrophobicContact SD-CG 3.97Å; M569-F766 HydrophobicContact SD-CZ 4.1Å; L762-F766 PolarHBondContact O-N 3.34Å; F763-F766 WeakPolarHBondContact O-CB 3.46Å; F763-F766 PolarHBondContact O-N 3.08Å; F764-F766 VanDerWaalsContact C-N 3.33Å; F764-F766 PolarHBondContact O-N 3.22Å; F766-L768 VanDerWaalsContact C-N 3.32Å; F766-L768 PolarHBondContact O-N 3.26Å; F766-F769 PolarHBondContact O-N 3.48Å; F766-L770 HydrophobicContact CE1-CB 4.45Å; F766-L770 HydrophobicContact CE1-CD2 3.95Å; F766-L770 HydrophobicContact CZ-CB 4.23Å; F766-L770 HydrophobicContact CZ-CD2 3.83Å; F766-L770 HydrophobicContact CZ-CG 4.47Å; F766-L770 WeakPolarHBondContact O-CB 3.43Å; F766-L770 PolarHBondContact O-N 3.42Å |
| 767 | F | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.4 | -32.5 | 177.3 | -77.1 | -61.7 | 0 | 0 | 0 | 112.7 | M569 Y716 H719 M720 W723 F763 F764 I765 L770 G771 | M569-F767 HydrophobicContact CE-CE2 3.93Å; M569-F767 HydrophobicContact CE-CZ 3.79Å; Y716-F767 HydrophobicContact CD2-CD1 4.34Å; Y716-F767 HydrophobicContact CE2-CB 4.16Å; Y716-F767 AromaticContact CE2-CD1 3.87Å; Y716-F767 HydrophobicContact CE2-CD1 3.87Å; Y716-F767 HydrophobicContact CE2-CG 4.5Å; Y716-F767 WeakPolarHBondContact CE2-O 3.4Å; Y716-F767 PolarHBondContact OH-O 3.14Å; H719-F767 HydrophobicContact CB-CE1 4.37Å; H719-F767 AromaticContact CG-CE1 3.91Å; H719-F767 AromaticContact ND1-CE1 3.71Å; M720-F767 HydrophobicContact CE-CB 3.81Å; M720-F767 HydrophobicContact CE-CD1 4.49Å; M720-F767 HydrophobicContact CE-CD2 3.76Å; M720-F767 HydrophobicContact CE-CE2 4.46Å; M720-F767 HydrophobicContact CE-CG 3.78Å; M720-F767 HydrophobicContact CG-CD1 3.71Å; M720-F767 HydrophobicContact CG-CD2 4.29Å; M720-F767 HydrophobicContact CG-CE1 3.88Å; M720-F767 HydrophobicContact CG-CE2 4.43Å; M720-F767 HydrophobicContact CG-CG 3.95Å; M720-F767 HydrophobicContact CG-CZ 4.24Å; M720-F767 HydrophobicContact SD-CB 4.13Å; M720-F767 HydrophobicContact SD-CD1 4.37Å; M720-F767 HydrophobicContact SD-CG 4.16Å; W723-F767 HydrophobicContact CB-CE2 4.17Å; W723-F767 HydrophobicContact CB-CZ 4.26Å; W723-F767 HydrophobicContact CD2-CD2 4.35Å; W723-F767 AromaticContact CD2-CE2 3.7Å; W723-F767 HydrophobicContact CD2-CE2 3.7Å; W723-F767 AromaticContact CE3-CD2 3.94Å; W723-F767 HydrophobicContact CE3-CD2 3.94Å; W723-F767 AromaticContact CE3-CE2 3.65Å; W723-F767 HydrophobicContact CE3-CE2 3.65Å; W723-F767 AromaticContact CG-CE2 3.93Å; W723-F767 HydrophobicContact CG-CE2 3.93Å; W723-F767 HydrophobicContact CG-CZ 4.48Å; W723-F767 HydrophobicContact CZ3-CD2 4.15Å; W723-F767 HydrophobicContact CZ3-CE2 4.29Å; F763-F767 WeakPolarHBondContact O-CD2 3.34Å; F763-F767 PolarHBondContact O-N 2.88Å; F764-F767 PolarHBondContact O-N 3.28Å; I765-F767 VanDerWaalsContact C-N 3.32Å; I765-F767 PolarHBondContact O-N 3.49Å; F767-L770 HydrophobicContact CD1-CD2 4.36Å; F767-G771 PolarHBondContact O-N 3.2Å |
| 768 | L | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 170.7 | -68.4 | 174.6 | 0 | 0 | 0 | 110.5 | F764 I765 F766 G771 F772 F813 A816 M893 V897 | F764-L768 HydrophobicContact CD1-CD1 4.16Å; F764-L768 HydrophobicContact CE1-CD1 3.56Å; F764-L768 HydrophobicContact CE1-CG 4.22Å; F764-L768 HydrophobicContact CE2-CD1 4.35Å; F764-L768 HydrophobicContact CE2-CD2 4.15Å; F764-L768 HydrophobicContact CE2-CG 4.16Å; F764-L768 HydrophobicContact CZ-CD1 3.67Å; F764-L768 HydrophobicContact CZ-CD2 4.02Å; F764-L768 HydrophobicContact CZ-CG 3.96Å; F764-L768 WeakPolarHBondContact O-CG 3.34Å; F764-L768 PolarHBondContact O-N 3.28Å; I765-L768 WeakPolarHBondContact O-CB 3.36Å; I765-L768 PolarHBondContact O-N 2.92Å; I765-L768 VanDerWaalsContact O-N 3.13Å; F766-L768 VanDerWaalsContact C-N 3.32Å; F766-L768 PolarHBondContact O-N 3.26Å; L768-G771 PolarHBondContact O-N 3.43Å; L768-F772 VanDerWaalsContact O-CB 3.29Å; L768-F772 WeakPolarHBondContact O-CB 3.18Å; L768-F772 PolarHBondContact O-N 3.21Å; L768-F813 HydrophobicContact CB-CE1 4.31Å; L768-F813 HydrophobicContact CD2-CB 4.2Å; L768-F813 HydrophobicContact CD2-CD1 3.78Å; L768-F813 HydrophobicContact CD2-CD2 4.29Å; L768-F813 HydrophobicContact CD2-CE1 4.22Å; L768-F813 HydrophobicContact CD2-CG 3.83Å; L768-F813 WeakPolarHBondContact O-CE1 3.25Å; L768-A816 HydrophobicContact CD2-CB 3.85Å; L768-M893 HydrophobicContact CD1-SD 4.32Å; L768-V897 HydrophobicContact CD1-CG2 3.48Å; L768-V897 VanDerWaalsContact CD1-CG2 3.48Å; L768-V897 HydrophobicContact CD2-CG2 4.12Å; L768-V897 HydrophobicContact CG-CG2 4.47Å |
| 769 | F | 87.7 | Confident | 81.5 | Confident | 5 Ų | 5 | 11.1 Ų | 11.1 | 2% | 0.022 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 179.3 | -85.8 | -117.1 | 0 | 0 | 0 | 112.5 | L552 T555 F556 I765 F766 G771 F772 F773 M893 | L552-F769 HydrophobicContact CB-CD1 4.15Å; L552-F769 HydrophobicContact CB-CE1 4.06Å; L552-F769 HydrophobicContact CD2-CB 4.15Å; L552-F769 HydrophobicContact CD2-CD1 4.27Å; L552-F769 HydrophobicContact CD2-CG 4.2Å; L552-F769 WeakPolarHBondContact O-CE1 3.33Å; T555-F769 WeakPolarHBondContact OG1-CD1 3.44Å; F556-F769 AromaticContact CD2-CE1 3.84Å; F556-F769 HydrophobicContact CD2-CE1 3.84Å; F556-F769 HydrophobicContact CE2-CD1 4.22Å; F556-F769 AromaticContact CE2-CE1 3.21Å; F556-F769 HydrophobicContact CE2-CE1 3.21Å; F556-F769 AromaticContact CE2-CZ 3.66Å; F556-F769 HydrophobicContact CE2-CZ 3.66Å; F556-F769 HydrophobicContact CZ-CE1 4Å; F556-F769 HydrophobicContact CZ-CZ 4.21Å; I765-F769 HydrophobicContact CG2-CD2 3.79Å; I765-F769 HydrophobicContact CG2-CE2 3.66Å; I765-F769 WeakPolarHBondContact O-CD2 3.4Å; I765-F769 PolarHBondContact O-N 2.99Å; F766-F769 PolarHBondContact O-N 3.48Å; F769-G771 VanDerWaalsContact C-N 3.33Å; F769-G771 PolarHBondContact O-N 2.93Å; F769-F772 WeakPolarHBondContact O-CB 3.46Å; F769-F772 PolarHBondContact O-N 2.89Å; F769-F773 HydrophobicContact CB-CD2 4.42Å; F769-F773 HydrophobicContact CD1-CD2 4.39Å; F769-F773 AromaticContact CD1-CE2 3.73Å; F769-F773 HydrophobicContact CD1-CE2 3.73Å; F769-F773 HydrophobicContact CE1-CE2 4.38Å; F769-F773 HydrophobicContact CG-CE2 4.47Å; F769-F773 WeakPolarHBondContact O-CD2 3.08Å; F769-F773 PolarHBondContact O-N 3.27Å; F769-M893 HydrophobicContact CD2-SD 4.2Å; F769-M893 HydrophobicContact CE2-CE 3.88Å; F769-M893 HydrophobicContact CE2-SD 3.67Å |
| 770 | L | 91.6 | Very high | 80.1 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60 | -46 | 175.7 | -179.8 | 65.2 | 0 | 0 | 0 | 110.7 | L562 E594 T598 F712 Y716 F766 F767 F772 G774 | L562-L770 HydrophobicContact CD1-CD1 4.12Å; E594-L770 VanDerWaalsContact CD-CD2 3.45Å; E594-L770 HydrophobicContact CG-CD2 4.32Å; E594-L770 VanDerWaalsContact OE2-CD2 3.28Å; E594-L770 WeakPolarHBondContact OE2-CD2 3.33Å; T598-L770 HydrophobicContact CG2-CD1 4.5Å; F712-L770 HydrophobicContact CE2-CD1 4.07Å; F712-L770 HydrophobicContact CE2-CG 4.11Å; F712-L770 HydrophobicContact CZ-CD1 4.42Å; F712-L770 HydrophobicContact CZ-CG 4.11Å; F712-L770 VanDerWaalsContact CZ-O 3.28Å; F712-L770 WeakPolarHBondContact CZ-O 3.35Å; Y716-L770 HydrophobicContact CD2-CD2 3.91Å; Y716-L770 HydrophobicContact CD2-CG 4.14Å; Y716-L770 HydrophobicContact CE2-CB 4.39Å; Y716-L770 HydrophobicContact CE2-CD2 4.32Å; Y716-L770 HydrophobicContact CE2-CG 4.39Å; F766-L770 HydrophobicContact CE1-CB 4.45Å; F766-L770 HydrophobicContact CE1-CD2 3.95Å; F766-L770 HydrophobicContact CZ-CB 4.23Å; F766-L770 HydrophobicContact CZ-CD2 3.83Å; F766-L770 HydrophobicContact CZ-CG 4.47Å; F766-L770 WeakPolarHBondContact O-CB 3.43Å; F766-L770 PolarHBondContact O-N 3.42Å; F767-L770 HydrophobicContact CD1-CD2 4.36Å; L770-F772 VanDerWaalsContact C-N 3.33Å; L770-F772 PolarHBondContact O-N 2.96Å; L770-G774 WeakPolarHBondContact O-CA 3.49Å; L770-G774 PolarHBondContact O-N 3Å |
| 771 | G | 90.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F767 L768 F769 T775 | F767-G771 PolarHBondContact O-N 3.2Å; L768-G771 PolarHBondContact O-N 3.43Å; F769-G771 VanDerWaalsContact C-N 3.33Å; F769-G771 PolarHBondContact O-N 2.93Å; G771-T775 WeakPolarHBondContact O-CG2 3.32Å |
| 772 | F | 86.5 | Confident | 77.4 | Confident | 15 Ų | 15 | 16.9 Ų | 16.9 | 7% | 0.066 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -60.7 | 177.2 | -173.8 | -100 | 0 | 0 | 0 | 111.8 | L768 F769 L770 G774 T775 I778 I809 F813 I889 | L768-F772 VanDerWaalsContact O-CB 3.29Å; L768-F772 WeakPolarHBondContact O-CB 3.18Å; L768-F772 PolarHBondContact O-N 3.21Å; F769-F772 WeakPolarHBondContact O-CB 3.46Å; F769-F772 PolarHBondContact O-N 2.89Å; L770-F772 VanDerWaalsContact C-N 3.33Å; L770-F772 PolarHBondContact O-N 2.96Å; F772-G774 VanDerWaalsContact C-N 3.28Å; F772-G774 PolarHBondContact O-N 3.06Å; F772-T775 PolarHBondContact O-N 3.17Å; F772-T775 PolarHBondContact O-OG1 3.15Å; F772-I778 HydrophobicContact CD2-CD1 4.23Å; F772-I778 HydrophobicContact CE1-CD1 4.42Å; F772-I778 HydrophobicContact CE1-CG1 4.4Å; F772-I778 HydrophobicContact CE2-CD1 3.17Å; F772-I778 HydrophobicContact CE2-CG1 3.99Å; F772-I778 HydrophobicContact CZ-CB 3.89Å; F772-I778 HydrophobicContact CZ-CD1 3.28Å; F772-I778 HydrophobicContact CZ-CG1 3.62Å; F772-I809 HydrophobicContact CD2-CG2 3.84Å; F772-I809 HydrophobicContact CE2-CG2 4.09Å; F772-F813 HydrophobicContact CB-CE1 3.91Å; F772-F813 HydrophobicContact CB-CZ 4.03Å; F772-F813 HydrophobicContact CD2-CE1 4.39Å; F772-F813 AromaticContact CD2-CZ 3.86Å; F772-F813 HydrophobicContact CD2-CZ 3.86Å; F772-F813 HydrophobicContact CG-CZ 4.39Å; F772-I889 HydrophobicContact CE1-CD1 4.15Å; F772-I889 HydrophobicContact CE2-CD1 4.39Å; F772-I889 HydrophobicContact CZ-CD1 3.52Å; F772-I889 HydrophobicContact CZ-CG1 4.2Å; F772-I889 HydrophobicContact CZ-CG2 4.33Å |
| 773 | F | 83.3 | Confident | 76.3 | Confident | 6 Ų | 6 | 17.1 Ų | 17.1 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.8 | -16.6 | -175.3 | -70.2 | -64 | 0 | 0 | 0 | 114.6 | T555 F556 R559 L562 F769 | T555-F773 WeakPolarHBondContact OG1-CE2 3.33Å; F556-F773 HydrophobicContact CB-CZ 4.22Å; F556-F773 HydrophobicContact CD1-CE1 4.35Å; F556-F773 AromaticContact CD1-CZ 3.68Å; F556-F773 HydrophobicContact CD1-CZ 3.68Å; F556-F773 HydrophobicContact CD2-CE2 4.44Å; F556-F773 HydrophobicContact CD2-CZ 4.03Å; F556-F773 HydrophobicContact CE1-CZ 4.06Å; F556-F773 HydrophobicContact CE2-CZ 4.45Å; F556-F773 AromaticContact CG-CZ 3.68Å; F556-F773 HydrophobicContact CG-CZ 3.68Å; F556-F773 HydrophobicContact CZ-CZ 4.45Å; R559-F773 WeakPolarHBondContact CD-O 3.28Å; R559-F773 HydrophobicContact CG-CB 4Å; L562-F773 HydrophobicContact CD1-CB 4.03Å; L562-F773 HydrophobicContact CD1-CD2 4.4Å; F769-F773 HydrophobicContact CB-CD2 4.42Å; F769-F773 HydrophobicContact CD1-CD2 4.39Å; F769-F773 AromaticContact CD1-CE2 3.73Å; F769-F773 HydrophobicContact CD1-CE2 3.73Å; F769-F773 HydrophobicContact CE1-CE2 4.38Å; F769-F773 HydrophobicContact CG-CE2 4.47Å; F769-F773 WeakPolarHBondContact O-CD2 3.08Å; F769-F773 PolarHBondContact O-N 3.27Å |
| 774 | G | 79 | Confident | 75.3 | Confident | 8 Ų | 8 | 17.5 Ų | 17.5 | 8% | 0.082 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -77.7 | -24.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L770 F772 | L770-G774 WeakPolarHBondContact O-CA 3.49Å; L770-G774 PolarHBondContact O-N 3Å; F772-G774 VanDerWaalsContact C-N 3.28Å; F772-G774 PolarHBondContact O-N 3.06Å |
| 775 | T | 74.2 | Confident | 74.5 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -86.3 | -19.2 | 177.7 | 62.6 | 0 | 0 | 0 | 0 | 114.8 | F701 G771 F772 P812 | F701-T775 HydrophobicContact CE2-CG2 3.45Å; F701-T775 VanDerWaalsContact CE2-CG2 3.45Å; F701-T775 HydrophobicContact CZ-CG2 3.68Å; G771-T775 WeakPolarHBondContact O-CG2 3.32Å; F772-T775 PolarHBondContact O-N 3.17Å; F772-T775 PolarHBondContact O-OG1 3.15Å; T775-P812 HydrophobicContact CG2-CG 3.6Å |
| 776 | G | 68.2 | Low | 74.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | trans | 154.6 | 170.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 777 | N | 60.4 | Low | 73.7 | Confident | 47 Ų | 47 | 25.3 Ų | 25.3 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | trans | -105.5 | 121.1 | 168.5 | -170.4 | 0.3 | 0 | 0 | 0 | 109.5 | V603 A779 F784 | V603-N777 HydrophobicContact CG2-CB 4.29Å; N777-A779 PolarHBondContact O-N 2.63Å; N777-A779 PolarHBondContact OD1-N 3.26Å; N777-A779 VanDerWaalsContact OD1-N 3.12Å; N777-F784 WeakPolarHBondContact O-CE2 3.21Å | ||
| 778 | I | 57.7 | Low | 73.4 | Confident | 33 Ų | 33 | 25.8 Ų | 25.8 | 17% | 0.169 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.7 | 178.9 | -55.2 | -176.7 | 0 | 0 | 0 | 112.5 | F772 S780 F784 I809 | F772-I778 HydrophobicContact CD2-CD1 4.23Å; F772-I778 HydrophobicContact CE1-CD1 4.42Å; F772-I778 HydrophobicContact CE1-CG1 4.4Å; F772-I778 HydrophobicContact CE2-CD1 3.17Å; F772-I778 HydrophobicContact CE2-CG1 3.99Å; F772-I778 HydrophobicContact CZ-CB 3.89Å; F772-I778 HydrophobicContact CZ-CD1 3.28Å; F772-I778 HydrophobicContact CZ-CG1 3.62Å; I778-S780 WeakPolarHBondContact O-CA 3.39Å; I778-S780 PolarHBondContact O-N 2.77Å; I778-F784 HydrophobicContact CG1-CE2 4.32Å; I778-F784 HydrophobicContact CG1-CZ 4.42Å; I778-I809 HydrophobicContact CD1-CD1 3.16Å; I778-I809 HydrophobicContact CD1-CG1 3.96Å; I778-I809 HydrophobicContact CD1-CG2 4.37Å; I778-I809 HydrophobicContact CG1-CD1 3.97Å |
| 779 | A | 54 | Low | 73.4 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -33.7 | -43.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N777 E882 | N777-A779 PolarHBondContact O-N 2.63Å; N777-A779 PolarHBondContact OD1-N 3.26Å; N777-A779 VanDerWaalsContact OD1-N 3.12Å; A779-E882 HydrophobicContact CB-CG 3.37Å; A779-E882 VanDerWaalsContact CB-OE1 3.26Å; A779-E882 WeakPolarHBondContact CB-OE1 3.36Å; A779-E882 WeakPolarHBondContact O-CG 3.48Å |
| 780 | S | 55.8 | Low | 73.4 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | trans | -148.2 | 150.3 | 161.9 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | I778 N782 S783 | I778-S780 WeakPolarHBondContact O-CA 3.39Å; I778-S780 PolarHBondContact O-N 2.77Å; S780-N782 PolarHBondContact O-N 3.3Å; S780-N782 WeakPolarHBondContact OG-CB 3.38Å; S780-N782 PolarHBondContact OG-N 3.39Å; S780-S783 PolarHBondContact N-OG 2.74Å; S780-S783 VanDerWaalsContact O-CB 3.23Å; S780-S783 WeakPolarHBondContact O-CB 3.5Å; S780-S783 PolarHBondContact O-N 3.27Å; S780-S783 PolarHBondContact O-OG 3.29Å | ||
| 781 | V | 56.8 | Low | 73.4 | Confident | 58 Ų | 58 | 27.4 Ų | 27.4 | 35% | 0.352 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -57.1 | -31.1 | 165.1 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | S783 F784 L802 L805 | V781-S783 PolarHBondContact O-N 2.96Å; V781-F784 PolarHBondContact O-N 3.22Å; V781-L802 HydrophobicContact CG2-CD1 4.04Å; V781-L805 HydrophobicContact CG1-CD2 4.4Å; V781-L805 HydrophobicContact CG2-CD2 4.5Å |
| 782 | N | 56.9 | Low | 73.6 | Confident | 105 Ų | 105 | 27.7 Ų | 27.7 | 56% | 0.561 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -71.1 | -12.1 | 176.7 | -59.5 | -8 | 0 | 0 | 0 | 112.7 | S780 F784 | S780-N782 PolarHBondContact O-N 3.3Å; S780-N782 WeakPolarHBondContact OG-CB 3.38Å; S780-N782 PolarHBondContact OG-N 3.39Å; N782-F784 VanDerWaalsContact C-N 3.28Å |
| 783 | S | 61.9 | Low | 73.6 | Confident | 27 Ų | 27 | 28 Ų | 28 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -77.3 | -15.3 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | S780 V781 | S780-S783 PolarHBondContact N-OG 2.74Å; S780-S783 VanDerWaalsContact O-CB 3.23Å; S780-S783 WeakPolarHBondContact O-CB 3.5Å; S780-S783 PolarHBondContact O-N 3.27Å; S780-S783 PolarHBondContact O-OG 3.29Å; V781-S783 PolarHBondContact O-N 2.96Å |
| 784 | F | 68.3 | Low | 73.4 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -84.8 | 135.1 | 176.5 | -74.3 | -91.9 | 0 | 0 | 0 | 111 | N777 I778 V781 N782 P786 F788 L805 | N777-F784 WeakPolarHBondContact O-CE2 3.21Å; I778-F784 HydrophobicContact CG1-CE2 4.32Å; I778-F784 HydrophobicContact CG1-CZ 4.42Å; V781-F784 PolarHBondContact O-N 3.22Å; N782-F784 VanDerWaalsContact C-N 3.28Å; F784-P786 WeakPolarHBondContact O-CD 3.13Å; F784-F788 HydrophobicContact CB-CD1 4.3Å; F784-F788 HydrophobicContact CB-CE1 4.25Å; F784-L805 HydrophobicContact CD1-CD1 3.67Å; F784-L805 HydrophobicContact CD2-CD1 4.05Å; F784-L805 HydrophobicContact CD2-CD2 3.62Å; F784-L805 HydrophobicContact CD2-CG 4.49Å; F784-L805 HydrophobicContact CE1-CD1 3.46Å; F784-L805 VanDerWaalsContact CE1-CD1 3.46Å; F784-L805 HydrophobicContact CE2-CD1 3.86Å; F784-L805 HydrophobicContact CE2-CD2 3.73Å; F784-L805 HydrophobicContact CE2-CG 4.35Å; F784-L805 HydrophobicContact CG-CD1 3.96Å; F784-L805 HydrophobicContact CG-CD2 4.11Å; F784-L805 HydrophobicContact CZ-CD1 3.57Å; F784-L805 HydrophobicContact CZ-CD2 4.32Å; F784-L805 HydrophobicContact CZ-CG 4.47Å |
| 785 | D | 73.3 | Confident | 72.9 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | trans | -62.3 | 120.1 | 173 | -174.8 | -38.8 | 0 | 0 | 0 | 109.6 | P607 N787 F788 | P607-D785 WeakPolarHBondContact CG-OD2 3.35Å; D785-N787 PolarHBondContact O-N 3.25Å; D785-N787 WeakPolarHBondContact OD1-CB 3.47Å; D785-N787 PolarHBondContact OD1-N 3.09Å; D785-N787 PolarHBondContact OD1-ND2 3.41Å; D785-N787 PolarHBondContact OD2-ND2 3.41Å; D785-F788 VanDerWaalsContact O-CD1 3.24Å; D785-F788 WeakPolarHBondContact O-CD1 3.33Å; D785-F788 PolarHBondContact O-N 3.09Å; D785-F788 VanDerWaalsContact O-N 3.12Å | ||
| 786 | P | 77 | Confident | 72.6 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -59 | -13.8 | -178.4 | 25.8 | -35.5 | 0 | 0 | 0 | 113.9 | F784 F788 I789 M801 | F784-P786 WeakPolarHBondContact O-CD 3.13Å; P786-F788 PolarHBondContact O-N 3.33Å; P786-I789 WeakPolarHBondContact O-CG1 2.88Å; P786-M801 HydrophobicContact CB-CE 3.93Å |
| 787 | N | 82.3 | Confident | 72.9 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -67.9 | -15.3 | 176 | -65 | -53.2 | 0 | 0 | 0 | 114.1 | Y609 V654 D785 I789 V790 | Y609-N787 WeakPolarHBondContact OH-CB 3.38Å; V654-N787 HydrophobicContact CG2-CB 4.4Å; D785-N787 PolarHBondContact O-N 3.25Å; D785-N787 WeakPolarHBondContact OD1-CB 3.47Å; D785-N787 PolarHBondContact OD1-N 3.09Å; D785-N787 PolarHBondContact OD1-ND2 3.41Å; D785-N787 PolarHBondContact OD2-ND2 3.41Å; N787-I789 PolarHBondContact O-N 3.02Å; N787-V790 WeakPolarHBondContact O-CB 3.49Å; N787-V790 WeakPolarHBondContact O-CG1 3.05Å; N787-V790 PolarHBondContact O-N 3.03Å; N787-V790 VanDerWaalsContact O-N 3.09Å |
| 788 | F | 86.5 | Confident | 73.4 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -61 | -17.7 | 178 | 88.8 | -93.6 | 0 | 0 | 0 | 113.7 | M704 V706 F784 D785 P786 M801 L804 L805 | M704-F788 HydrophobicContact CB-CD2 4.25Å; V706-F788 HydrophobicContact CG1-CB 4.12Å; F784-F788 HydrophobicContact CB-CD1 4.3Å; F784-F788 HydrophobicContact CB-CE1 4.25Å; D785-F788 VanDerWaalsContact O-CD1 3.24Å; D785-F788 WeakPolarHBondContact O-CD1 3.33Å; D785-F788 PolarHBondContact O-N 3.09Å; D785-F788 VanDerWaalsContact O-N 3.12Å; P786-F788 PolarHBondContact O-N 3.33Å; F788-M801 HydrophobicContact CE1-CE 4.07Å; F788-M801 HydrophobicContact CZ-CB 4.38Å; F788-L804 HydrophobicContact CE2-CB 4.22Å; F788-L805 HydrophobicContact CE2-CB 4.24Å; F788-L805 HydrophobicContact CZ-CB 3.87Å; F788-L805 HydrophobicContact CZ-CD1 4.49Å |
| 789 | I | 89 | Confident | 74.5 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -102.9 | 0.1 | 179.2 | 54.4 | 148.7 | 0 | 0 | 0 | 114.6 | P786 N787 L791 F792 V793 M801 L804 | P786-I789 WeakPolarHBondContact O-CG1 2.88Å; N787-I789 PolarHBondContact O-N 3.02Å; I789-L791 PolarHBondContact O-N 3.39Å; I789-F792 PolarHBondContact O-N 3.1Å; I789-V793 HydrophobicContact CB-CG2 4.06Å; I789-V793 HydrophobicContact CD1-CG2 3.3Å; I789-V793 HydrophobicContact CG1-CG2 4.09Å; I789-V793 PolarHBondContact O-N 2.9Å; I789-V793 VanDerWaalsContact O-N 3.1Å; I789-M801 HydrophobicContact CB-CG 4.45Å; I789-M801 HydrophobicContact CD1-CE 4Å; I789-M801 HydrophobicContact CD1-CG 3.31Å; I789-M801 HydrophobicContact CD1-SD 3.59Å; I789-M801 VanDerWaalsContact CD1-SD 3.59Å; I789-M801 HydrophobicContact CG1-CE 4.26Å; I789-M801 HydrophobicContact CG1-CG 4Å; I789-M801 HydrophobicContact CG1-SD 4.44Å; I789-M801 HydrophobicContact CG2-CB 4.47Å; I789-M801 HydrophobicContact CG2-CG 3.9Å; I789-L804 HydrophobicContact CG2-CD1 3.92Å |
| 790 | V | 88.1 | Confident | 76 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.8 | -169.7 | 80.1 | 0 | 0 | 0 | 0 | 113.1 | V650 I660 N787 F792 | V650-V790 HydrophobicContact CG1-CG1 3.95Å; V650-V790 HydrophobicContact CG2-CG1 4.07Å; I660-V790 HydrophobicContact CD1-CB 4.47Å; I660-V790 HydrophobicContact CD1-CG1 3.98Å; I660-V790 HydrophobicContact CD1-CG2 3.99Å; N787-V790 WeakPolarHBondContact O-CB 3.49Å; N787-V790 WeakPolarHBondContact O-CG1 3.05Å; N787-V790 PolarHBondContact O-N 3.03Å; N787-V790 VanDerWaalsContact O-N 3.09Å; V790-F792 VanDerWaalsContact C-N 3.33Å |
| 791 | L | 92.8 | Very high | 77.3 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.5 | 176.7 | -74.4 | 174.9 | 0 | 0 | 0 | 114.6 | A646 M647 V650 I660 V664 R665 L703 I789 | A646-L791 HydrophobicContact CB-CD2 4.37Å; A646-L791 WeakPolarHBondContact O-CD2 3.47Å; M647-L791 HydrophobicContact CE-CD1 4.39Å; M647-L791 HydrophobicContact SD-CD1 3.31Å; M647-L791 WeakPolarHBondContact SD-CD1 3.32Å; V650-L791 HydrophobicContact CG2-CD1 3.72Å; V650-L791 HydrophobicContact CG2-CD2 3.77Å; V650-L791 HydrophobicContact CG2-CG 3.65Å; I660-L791 HydrophobicContact CD1-CD2 4.03Å; V664-L791 HydrophobicContact CG1-CD2 4.29Å; R665-L791 WeakPolarHBondContact CA-O 3.38Å; R665-L791 WeakPolarHBondContact CG-O 3.5Å; L703-L791 HydrophobicContact CD2-CD1 3.96Å; I789-L791 PolarHBondContact O-N 3.39Å |
| 792 | F | 92.8 | Very high | 78.6 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -39.4 | -177.2 | -67.4 | -82.3 | 0 | 0 | 0 | 112.5 | C668 W669 L672 L703 M704 I789 V790 L804 | C668-F792 HydrophobicContact CB-CD1 4.21Å; C668-F792 HydrophobicContact CB-CE1 3.94Å; C668-F792 HydrophobicContact CB-CZ 4.35Å; W669-F792 AromaticContact CD2-CD1 3.98Å; W669-F792 HydrophobicContact CD2-CD1 3.98Å; W669-F792 AromaticContact CE2-CD1 3.84Å; W669-F792 HydrophobicContact CE3-CD1 4.41Å; W669-F792 HydrophobicContact CG-CD1 4.33Å; W669-F792 HydrophobicContact CZ2-CB 4.06Å; W669-F792 HydrophobicContact CZ2-CD1 4.15Å; W669-F792 PolarHBondContact NE1-O 3.45Å; W669-F792 VanDerWaalsContact NE1-O 3.1Å; L672-F792 HydrophobicContact CB-CE1 4.24Å; L672-F792 HydrophobicContact CD2-CE1 4.05Å; L703-F792 HydrophobicContact CB-CE2 4.09Å; L703-F792 HydrophobicContact CB-CZ 4Å; L703-F792 HydrophobicContact CD1-CZ 4.22Å; M704-F792 HydrophobicContact CG-CD2 4.48Å; M704-F792 HydrophobicContact CG-CE2 3.63Å; M704-F792 HydrophobicContact CG-CZ 4.24Å; I789-F792 PolarHBondContact O-N 3.1Å; V790-F792 VanDerWaalsContact C-N 3.33Å; F792-L804 HydrophobicContact CB-CD1 3.78Å; F792-L804 HydrophobicContact CD1-CD1 4.4Å; F792-L804 HydrophobicContact CD1-CD2 4.47Å; F792-L804 HydrophobicContact CD2-CD1 3.98Å; F792-L804 HydrophobicContact CG-CD1 3.79Å |
| 793 | V | 87.5 | Confident | 80.2 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | trans | -135.5 | 148.7 | -174.8 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | I789 K795 I800 | I789-V793 HydrophobicContact CB-CG2 4.06Å; I789-V793 HydrophobicContact CD1-CG2 3.3Å; I789-V793 HydrophobicContact CG1-CG2 4.09Å; I789-V793 PolarHBondContact O-N 2.9Å; I789-V793 VanDerWaalsContact O-N 3.1Å; V793-K795 WeakPolarHBondContact CG2-O 3.4Å; V793-I800 HydrophobicContact CG1-CD1 4.2Å; V793-I800 HydrophobicContact CG1-CG2 3.92Å | ||
| 794 | T | 79.2 | Confident | 81.6 | Confident | 107 Ų | 107 | 55 Ų | 55 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -88.3 | -29.2 | 174.5 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 795 | K | 68.3 | Low | 82.6 | Confident | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.726 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -111.4 | 141.6 | -174.6 | -61.5 | -174.9 | 179.4 | -170.9 | 0 | 109 | V793 N797 | V793-K795 WeakPolarHBondContact CG2-O 3.4Å; K795-N797 PolarHBondContact O-N 3.08Å; K795-N797 VanDerWaalsContact O-N 3.16Å |
| 796 | F | 67.4 | Low | 83.3 | Confident | 139 Ų | 139 | 56.1 Ų | 56.1 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | trans | -58.1 | 118.4 | 169.7 | -176.1 | -93.3 | 0 | 0 | 0 | 109.2 | P798 M801 | F796-P798 HydrophobicContact CE1-CB 4.36Å; F796-M801 HydrophobicContact CD2-CE 4.17Å; F796-M801 HydrophobicContact CD2-SD 3.51Å; F796-M801 VanDerWaalsContact CD2-SD 3.51Å; F796-M801 HydrophobicContact CE2-CE 3.72Å; F796-M801 HydrophobicContact CE2-SD 3.33Å; F796-M801 WeakPolarHBondContact CE2-SD 3.48Å; F796-M801 HydrophobicContact CG-SD 4.24Å; F796-M801 HydrophobicContact CZ-SD 3.93Å | ||
| 797 | N | 74.3 | Confident | 84 | Confident | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -135.3 | 106.9 | 175.2 | -176.7 | -32.1 | 0 | 0 | 0 | 109 | K795 F799 I800 M801 | K795-N797 PolarHBondContact O-N 3.08Å; K795-N797 VanDerWaalsContact O-N 3.16Å; N797-F799 VanDerWaalsContact C-N 3.26Å; N797-F799 PolarHBondContact O-N 3.02Å; N797-F799 PolarHBondContact OD1-N 2.75Å; N797-I800 HydrophobicContact CB-CB 4.28Å; N797-I800 HydrophobicContact CB-CD1 4.19Å; N797-I800 HydrophobicContact CB-CG1 4.32Å; N797-I800 WeakPolarHBondContact ND2-CD1 3.47Å; N797-I800 PolarHBondContact O-N 3.15Å; N797-I800 PolarHBondContact OD1-N 2.99Å; N797-M801 WeakPolarHBondContact O-CB 3.38Å; N797-M801 VanDerWaalsContact O-CG 3.23Å; N797-M801 WeakPolarHBondContact O-CG 3.24Å; N797-M801 PolarHBondContact O-N 3.03Å | ||
| 798 | P | 71 | Confident | 84.5 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.3 | -30.8 | -172.6 | 24.2 | -33.9 | 0 | 0 | 0 | 113.2 | F796 L802 | F796-P798 HydrophobicContact CE1-CB 4.36Å; P798-L802 VanDerWaalsContact O-CB 3.31Å; P798-L802 WeakPolarHBondContact O-CB 3.37Å; P798-L802 PolarHBondContact O-N 2.9Å |
| 799 | F | 80.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 53 Ų | 53 | 55% | 0.553 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.8 | -45 | 179.7 | -66.5 | -75.3 | 0 | 0 | 0 | 112 | N797 M801 L802 C803 | N797-F799 VanDerWaalsContact C-N 3.26Å; N797-F799 PolarHBondContact O-N 3.02Å; N797-F799 PolarHBondContact OD1-N 2.75Å; F799-M801 VanDerWaalsContact C-N 3.34Å; F799-L802 PolarHBondContact O-N 3.39Å; F799-C803 PolarHBondContact O-N 3.46Å; F799-C803 PolarHBondContact O-SG 2.97Å |
| 800 | I | 85.3 | Confident | 84.7 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 177.6 | -61.6 | 175.9 | 0 | 0 | 0 | 109.9 | W669 V793 N797 L802 C803 L804 | W669-I800 HydrophobicContact CH2-CG2 4.23Å; W669-I800 HydrophobicContact CZ2-CG2 4.27Å; V793-I800 HydrophobicContact CG1-CD1 4.2Å; V793-I800 HydrophobicContact CG1-CG2 3.92Å; N797-I800 HydrophobicContact CB-CB 4.28Å; N797-I800 HydrophobicContact CB-CD1 4.19Å; N797-I800 HydrophobicContact CB-CG1 4.32Å; N797-I800 WeakPolarHBondContact ND2-CD1 3.47Å; N797-I800 PolarHBondContact O-N 3.15Å; N797-I800 PolarHBondContact OD1-N 2.99Å; I800-L802 PolarHBondContact O-N 3.24Å; I800-C803 PolarHBondContact O-N 3.03Å; I800-L804 HydrophobicContact CG2-CD1 3.92Å; I800-L804 HydrophobicContact CG2-CG 4.28Å; I800-L804 WeakPolarHBondContact O-CG 3.49Å; I800-L804 PolarHBondContact O-N 3.4Å |
| 801 | M | 83.6 | Confident | 85 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 174 | -72.2 | 175.5 | 78.9 | 0 | 0 | 111.6 | P786 F788 I789 F796 N797 F799 C803 L804 L805 | P786-M801 HydrophobicContact CB-CE 3.93Å; F788-M801 HydrophobicContact CE1-CE 4.07Å; F788-M801 HydrophobicContact CZ-CB 4.38Å; I789-M801 HydrophobicContact CB-CG 4.45Å; I789-M801 HydrophobicContact CD1-CE 4Å; I789-M801 HydrophobicContact CD1-CG 3.31Å; I789-M801 HydrophobicContact CD1-SD 3.59Å; I789-M801 VanDerWaalsContact CD1-SD 3.59Å; I789-M801 HydrophobicContact CG1-CE 4.26Å; I789-M801 HydrophobicContact CG1-CG 4Å; I789-M801 HydrophobicContact CG1-SD 4.44Å; I789-M801 HydrophobicContact CG2-CB 4.47Å; I789-M801 HydrophobicContact CG2-CG 3.9Å; F796-M801 HydrophobicContact CD2-CE 4.17Å; F796-M801 HydrophobicContact CD2-SD 3.51Å; F796-M801 VanDerWaalsContact CD2-SD 3.51Å; F796-M801 HydrophobicContact CE2-CE 3.72Å; F796-M801 HydrophobicContact CE2-SD 3.33Å; F796-M801 WeakPolarHBondContact CE2-SD 3.48Å; F796-M801 HydrophobicContact CG-SD 4.24Å; F796-M801 HydrophobicContact CZ-SD 3.93Å; N797-M801 WeakPolarHBondContact O-CB 3.38Å; N797-M801 VanDerWaalsContact O-CG 3.23Å; N797-M801 WeakPolarHBondContact O-CG 3.24Å; N797-M801 PolarHBondContact O-N 3.03Å; F799-M801 VanDerWaalsContact C-N 3.34Å; M801-C803 PolarHBondContact O-N 2.96Å; M801-L804 PolarHBondContact O-N 2.82Å; M801-L805 WeakPolarHBondContact O-CB 3.5Å; M801-L805 PolarHBondContact O-N 3.44Å |
| 802 | L | 84.4 | Confident | 85 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 38% | 0.377 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.2 | 179.9 | 62.6 | 0 | 0 | 0 | 111.7 | V781 P798 F799 I800 L805 L806 | V781-L802 HydrophobicContact CG2-CD1 4.04Å; P798-L802 VanDerWaalsContact O-CB 3.31Å; P798-L802 WeakPolarHBondContact O-CB 3.37Å; P798-L802 PolarHBondContact O-N 2.9Å; F799-L802 PolarHBondContact O-N 3.39Å; I800-L802 PolarHBondContact O-N 3.24Å; L802-L805 PolarHBondContact O-N 3.06Å; L802-L806 HydrophobicContact CD1-CD1 4.25Å; L802-L806 HydrophobicContact CD1-CG 4.17Å; L802-L806 HydrophobicContact CG-CD1 4.12Å; L802-L806 HydrophobicContact CG-CG 4.45Å; L802-L806 WeakPolarHBondContact O-CB 3.44Å; L802-L806 VanDerWaalsContact O-CG 3.27Å; L802-L806 WeakPolarHBondContact O-CG 3.46Å; L802-L806 PolarHBondContact O-N 2.92Å |
| 803 | C | 90.7 | Very high | 85 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 57% | 0.568 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 178.3 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | F799 I800 M801 L807 | F799-C803 PolarHBondContact O-N 3.46Å; F799-C803 PolarHBondContact O-SG 2.97Å; I800-C803 PolarHBondContact O-N 3.03Å; M801-C803 PolarHBondContact O-N 2.96Å; C803-L807 WeakPolarHBondContact O-CB 3.46Å; C803-L807 PolarHBondContact O-N 3.27Å |
| 804 | L | 91.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -39 | 178.1 | -70.6 | 175.5 | 0 | 0 | 0 | 111.6 | W669 L672 M704 F788 I789 F792 I800 M801 L807 K808 | W669-L804 HydrophobicContact CH2-CD1 4.45Å; W669-L804 HydrophobicContact CH2-CD2 4.05Å; W669-L804 HydrophobicContact CH2-CG 4.49Å; W669-L804 HydrophobicContact CZ3-CD2 4.26Å; L672-L804 HydrophobicContact CD2-CD2 3.74Å; M704-L804 HydrophobicContact SD-CB 3.98Å; M704-L804 HydrophobicContact SD-CD2 4.37Å; M704-L804 VanDerWaalsContact SD-O 3.4Å; F788-L804 HydrophobicContact CE2-CB 4.22Å; I789-L804 HydrophobicContact CG2-CD1 3.92Å; F792-L804 HydrophobicContact CB-CD1 3.78Å; F792-L804 HydrophobicContact CD1-CD1 4.4Å; F792-L804 HydrophobicContact CD1-CD2 4.47Å; F792-L804 HydrophobicContact CD2-CD1 3.98Å; F792-L804 HydrophobicContact CG-CD1 3.79Å; I800-L804 HydrophobicContact CG2-CD1 3.92Å; I800-L804 HydrophobicContact CG2-CG 4.28Å; I800-L804 WeakPolarHBondContact O-CG 3.49Å; I800-L804 PolarHBondContact O-N 3.4Å; M801-L804 PolarHBondContact O-N 2.82Å; L804-L807 WeakPolarHBondContact O-CB 3.25Å; L804-L807 PolarHBondContact O-N 3.39Å; L804-K808 PolarHBondContact O-N 3.33Å |
| 805 | L | 88.5 | Confident | 86 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 176.1 | -179.4 | 58.7 | 0 | 0 | 0 | 111.5 | V781 F784 F788 M801 L802 L807 K808 I809 | V781-L805 HydrophobicContact CG1-CD2 4.4Å; V781-L805 HydrophobicContact CG2-CD2 4.5Å; F784-L805 HydrophobicContact CD1-CD1 3.67Å; F784-L805 HydrophobicContact CD2-CD1 4.05Å; F784-L805 HydrophobicContact CD2-CD2 3.62Å; F784-L805 HydrophobicContact CD2-CG 4.49Å; F784-L805 HydrophobicContact CE1-CD1 3.46Å; F784-L805 VanDerWaalsContact CE1-CD1 3.46Å; F784-L805 HydrophobicContact CE2-CD1 3.86Å; F784-L805 HydrophobicContact CE2-CD2 3.73Å; F784-L805 HydrophobicContact CE2-CG 4.35Å; F784-L805 HydrophobicContact CG-CD1 3.96Å; F784-L805 HydrophobicContact CG-CD2 4.11Å; F784-L805 HydrophobicContact CZ-CD1 3.57Å; F784-L805 HydrophobicContact CZ-CD2 4.32Å; F784-L805 HydrophobicContact CZ-CG 4.47Å; F788-L805 HydrophobicContact CE2-CB 4.24Å; F788-L805 HydrophobicContact CZ-CB 3.87Å; F788-L805 HydrophobicContact CZ-CD1 4.49Å; M801-L805 WeakPolarHBondContact O-CB 3.5Å; M801-L805 PolarHBondContact O-N 3.44Å; L802-L805 PolarHBondContact O-N 3.06Å; L805-L807 PolarHBondContact O-N 3.34Å; L805-K808 WeakPolarHBondContact O-CB 3Å; L805-K808 PolarHBondContact O-N 3.24Å; L805-I809 HydrophobicContact CD1-CD1 4.17Å; L805-I809 HydrophobicContact CG-CD1 3.96Å; L805-I809 VanDerWaalsContact O-CD1 3.32Å; L805-I809 WeakPolarHBondContact O-CD1 3.48Å; L805-I809 WeakPolarHBondContact O-CG1 3.43Å; L805-I809 PolarHBondContact O-N 3.31Å; L805-I809 VanDerWaalsContact O-N 3.08Å |
| 806 | L | 88.5 | Confident | 87.2 | Confident | 93 Ų | 93 | 40.5 Ų | 40.5 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.5 | -39.6 | 175.5 | -72.2 | 173.8 | 0 | 0 | 0 | 111.3 | L802 I809 V810 | L802-L806 HydrophobicContact CD1-CD1 4.25Å; L802-L806 HydrophobicContact CD1-CG 4.17Å; L802-L806 HydrophobicContact CG-CD1 4.12Å; L802-L806 HydrophobicContact CG-CG 4.45Å; L802-L806 WeakPolarHBondContact O-CB 3.44Å; L802-L806 VanDerWaalsContact O-CG 3.27Å; L802-L806 WeakPolarHBondContact O-CG 3.46Å; L802-L806 PolarHBondContact O-N 2.92Å; L806-I809 PolarHBondContact O-N 3.28Å; L806-V810 VanDerWaalsContact O-CG2 3.25Å; L806-V810 WeakPolarHBondContact O-CG2 3.43Å; L806-V810 PolarHBondContact O-N 3.01Å |
| 807 | L | 92 | Very high | 88.4 | Confident | 44 Ų | 44 | 34 Ų | 34 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 175.6 | -169.2 | 59 | 0 | 0 | 0 | 112.4 | L672 F676 C803 L804 L805 I809 V810 I811 | L672-L807 HydrophobicContact CD1-CD2 3.58Å; L672-L807 HydrophobicContact CD2-CD2 4.12Å; L672-L807 HydrophobicContact CG-CD2 4.12Å; F676-L807 HydrophobicContact CE1-CD1 4.19Å; F676-L807 HydrophobicContact CE2-CD1 3.89Å; F676-L807 HydrophobicContact CE2-CD2 4.11Å; F676-L807 HydrophobicContact CE2-CG 4.27Å; F676-L807 HydrophobicContact CZ-CD1 3.41Å; F676-L807 VanDerWaalsContact CZ-CD1 3.41Å; F676-L807 HydrophobicContact CZ-CD2 4.4Å; F676-L807 HydrophobicContact CZ-CG 4.06Å; C803-L807 WeakPolarHBondContact O-CB 3.46Å; C803-L807 PolarHBondContact O-N 3.27Å; L804-L807 WeakPolarHBondContact O-CB 3.25Å; L804-L807 PolarHBondContact O-N 3.39Å; L805-L807 PolarHBondContact O-N 3.34Å; L807-I809 VanDerWaalsContact C-N 3.28Å; L807-I809 PolarHBondContact O-N 3.47Å; L807-V810 PolarHBondContact O-N 2.96Å; L807-I811 WeakPolarHBondContact O-CG1 3.49Å; L807-I811 PolarHBondContact O-N 3.19Å |
| 808 | K | 91.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -40.8 | 174.6 | -170.6 | -178.5 | 178.7 | 179.9 | 0 | 111.7 | F701 M704 E709 L804 L805 P812 | F701-K808 HydrophobicContact CD2-CG 3.92Å; F701-K808 HydrophobicContact CE2-CG 3.84Å; M704-K808 HydrophobicContact CB-CD 4.01Å; M704-K808 HydrophobicContact CB-CG 4.46Å; M704-K808 HydrophobicContact CE-CB 3.72Å; M704-K808 HydrophobicContact CE-CG 4.22Å; M704-K808 WeakPolarHBondContact O-CE 3.16Å; M704-K808 PolarHBondContact O-NZ 3.3Å; M704-K808 HydrophobicContact SD-CB 4.19Å; E709-K808 IonicContact OE1-NZ 4Å; E709-K808 PolarHBondContact OE1-NZ 2.91Å; L804-K808 PolarHBondContact O-N 3.33Å; L805-K808 WeakPolarHBondContact O-CB 3Å; L805-K808 PolarHBondContact O-N 3.24Å; K808-P812 VanDerWaalsContact O-CD 3.31Å; K808-P812 WeakPolarHBondContact O-CD 3.32Å |
| 809 | I | 88.7 | Confident | 90.2 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.1 | -35.6 | -179.5 | -64.2 | 149.6 | 0 | 0 | 0 | 112.3 | F772 I778 L805 L806 L807 I811 P812 | F772-I809 HydrophobicContact CD2-CG2 3.84Å; F772-I809 HydrophobicContact CE2-CG2 4.09Å; I778-I809 HydrophobicContact CD1-CD1 3.16Å; I778-I809 HydrophobicContact CD1-CG1 3.96Å; I778-I809 HydrophobicContact CD1-CG2 4.37Å; I778-I809 HydrophobicContact CG1-CD1 3.97Å; L805-I809 HydrophobicContact CD1-CD1 4.17Å; L805-I809 HydrophobicContact CG-CD1 3.96Å; L805-I809 VanDerWaalsContact O-CD1 3.32Å; L805-I809 WeakPolarHBondContact O-CD1 3.48Å; L805-I809 WeakPolarHBondContact O-CG1 3.43Å; L805-I809 PolarHBondContact O-N 3.31Å; L805-I809 VanDerWaalsContact O-N 3.08Å; L806-I809 PolarHBondContact O-N 3.28Å; L807-I809 VanDerWaalsContact C-N 3.28Å; L807-I809 PolarHBondContact O-N 3.47Å; I809-I811 VanDerWaalsContact C-N 3.25Å; I809-I811 PolarHBondContact O-N 2.97Å; I809-P812 WeakPolarHBondContact O-CD 3.37Å |
| 810 | V | 91 | Very high | 90.6 | Very high | 42 Ų | 42 | 22.3 Ų | 22.3 | 26% | 0.255 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.4 | -26.8 | 178.8 | 166.1 | 0 | 0 | 0 | 0 | 111.9 | L806 L807 F813 M814 I900 | L806-V810 VanDerWaalsContact O-CG2 3.25Å; L806-V810 WeakPolarHBondContact O-CG2 3.43Å; L806-V810 PolarHBondContact O-N 3.01Å; L807-V810 PolarHBondContact O-N 2.96Å; V810-F813 WeakPolarHBondContact O-CB 3.38Å; V810-F813 PolarHBondContact O-N 3.23Å; V810-F813 VanDerWaalsContact O-N 3.13Å; V810-M814 HydrophobicContact CG1-CG 3.85Å; V810-M814 HydrophobicContact CG1-SD 4.01Å; V810-M814 WeakPolarHBondContact O-CG 3.26Å; V810-M814 PolarHBondContact O-N 3.34Å; V810-I900 HydrophobicContact CG1-CD1 3.99Å; V810-I900 HydrophobicContact CG1-CG1 4.34Å; V810-I900 HydrophobicContact CG2-CD1 4.37Å |
| 811 | I | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.5 | -55.6 | -177.4 | -75.9 | 163 | 0 | 0 | 0 | 112.9 | L697 P700 F701 M704 F713 L807 I809 F813 M814 I815 | L697-I811 HydrophobicContact CB-CG1 4.39Å; L697-I811 HydrophobicContact CB-CG2 3.82Å; L697-I811 HydrophobicContact CD1-CG2 4.45Å; L697-I811 HydrophobicContact CD2-CG1 4.36Å; P700-I811 HydrophobicContact CB-CD1 4.45Å; P700-I811 HydrophobicContact CG-CD1 3.87Å; F701-I811 HydrophobicContact CB-CD1 4.17Å; F701-I811 HydrophobicContact CB-CG2 4.39Å; F701-I811 HydrophobicContact CD2-CB 4.37Å; F701-I811 HydrophobicContact CD2-CD1 4.39Å; F701-I811 HydrophobicContact CD2-CG2 4.07Å; M704-I811 HydrophobicContact CE-CD1 4.34Å; F713-I811 HydrophobicContact CD2-CG2 4.2Å; F713-I811 HydrophobicContact CE2-CG2 3.39Å; F713-I811 HydrophobicContact CZ-CG2 3.77Å; L807-I811 WeakPolarHBondContact O-CG1 3.49Å; L807-I811 PolarHBondContact O-N 3.19Å; I809-I811 VanDerWaalsContact C-N 3.25Å; I809-I811 PolarHBondContact O-N 2.97Å; I811-F813 VanDerWaalsContact C-N 3.26Å; I811-F813 PolarHBondContact O-N 3.49Å; I811-M814 WeakPolarHBondContact O-CB 3.46Å; I811-M814 PolarHBondContact O-N 2.9Å; I811-I815 PolarHBondContact O-N 3.24Å |
| 812 | P | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.4 | -36.6 | 173.3 | -24.5 | 31.2 | 0 | 0 | 0 | 113.5 | F701 F713 Y716 T775 K808 I809 M814 I815 A816 | F701-P812 HydrophobicContact CE2-CG 4.44Å; F713-P812 HydrophobicContact CD2-CG 4.3Å; F713-P812 HydrophobicContact CE2-CG 4.44Å; Y716-P812 HydrophobicContact CE1-CB 3.98Å; T775-P812 HydrophobicContact CG2-CG 3.6Å; K808-P812 VanDerWaalsContact O-CD 3.31Å; K808-P812 WeakPolarHBondContact O-CD 3.32Å; I809-P812 WeakPolarHBondContact O-CD 3.37Å; P812-M814 VanDerWaalsContact C-N 3.34Å; P812-M814 PolarHBondContact O-N 3.41Å; P812-I815 PolarHBondContact O-N 3.2Å; P812-A816 PolarHBondContact O-N 3.38Å |
| 813 | F | 92.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.1 | -35.2 | 180 | -73.3 | 15 | 0 | 0 | 0 | 112 | L768 F772 V810 I811 A816 C817 V896 I900 | L768-F813 HydrophobicContact CB-CE1 4.31Å; L768-F813 HydrophobicContact CD2-CB 4.2Å; L768-F813 HydrophobicContact CD2-CD1 3.78Å; L768-F813 HydrophobicContact CD2-CD2 4.29Å; L768-F813 HydrophobicContact CD2-CE1 4.22Å; L768-F813 HydrophobicContact CD2-CG 3.83Å; L768-F813 WeakPolarHBondContact O-CE1 3.25Å; F772-F813 HydrophobicContact CB-CE1 3.91Å; F772-F813 HydrophobicContact CB-CZ 4.03Å; F772-F813 HydrophobicContact CD2-CE1 4.39Å; F772-F813 AromaticContact CD2-CZ 3.86Å; F772-F813 HydrophobicContact CD2-CZ 3.86Å; F772-F813 HydrophobicContact CG-CZ 4.39Å; V810-F813 WeakPolarHBondContact O-CB 3.38Å; V810-F813 PolarHBondContact O-N 3.23Å; V810-F813 VanDerWaalsContact O-N 3.13Å; I811-F813 VanDerWaalsContact C-N 3.26Å; I811-F813 PolarHBondContact O-N 3.49Å; F813-A816 PolarHBondContact O-N 3.31Å; F813-C817 WeakPolarHBondContact O-CB 3.25Å; F813-C817 PolarHBondContact O-N 2.9Å; F813-C817 PolarHBondContact O-SG 3.24Å; F813-V896 HydrophobicContact CD2-CG1 4.35Å; F813-I900 HydrophobicContact CB-CD1 3.66Å; F813-I900 HydrophobicContact CD2-CD1 4.08Å; F813-I900 HydrophobicContact CG-CD1 4.41Å |
| 814 | M | 93.6 | Very high | 90.4 | Very high | 25 Ų | 25 | 13.1 Ų | 13.1 | 12% | 0.123 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 172.8 | -74.7 | -175.2 | 68.7 | 0 | 0 | 111.2 | F676 L697 V810 I811 P812 A816 C817 C818 I900 | F676-M814 HydrophobicContact CD1-CE 4.39Å; F676-M814 HydrophobicContact CD1-SD 4.38Å; F676-M814 HydrophobicContact CE1-CE 4.32Å; F676-M814 HydrophobicContact CE1-SD 3.76Å; L697-M814 HydrophobicContact CD1-CB 3.98Å; L697-M814 HydrophobicContact CD1-CE 4.36Å; L697-M814 HydrophobicContact CD1-SD 4.28Å; V810-M814 HydrophobicContact CG1-CG 3.85Å; V810-M814 HydrophobicContact CG1-SD 4.01Å; V810-M814 WeakPolarHBondContact O-CG 3.26Å; V810-M814 PolarHBondContact O-N 3.34Å; I811-M814 WeakPolarHBondContact O-CB 3.46Å; I811-M814 PolarHBondContact O-N 2.9Å; P812-M814 VanDerWaalsContact C-N 3.34Å; P812-M814 PolarHBondContact O-N 3.41Å; M814-A816 VanDerWaalsContact C-N 3.32Å; M814-A816 PolarHBondContact O-N 2.88Å; M814-C817 PolarHBondContact O-N 3.19Å; M814-C818 WeakPolarHBondContact O-CB 3.48Å; M814-C818 PolarHBondContact O-N 3.1Å; M814-C818 PolarHBondContact O-SG 3.43Å; M814-I900 HydrophobicContact CB-CG2 4.44Å; M814-I900 HydrophobicContact CG-CG2 3.83Å |
| 815 | I | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 173.7 | -61.2 | -60.6 | 0 | 0 | 0 | 110.4 | I693 A694 L697 F713 Y716 T717 M720 I811 P812 C817 C818 C819 | I693-I815 HydrophobicContact CG2-CD1 3.82Å; A694-I815 HydrophobicContact CB-CD1 4.15Å; L697-I815 HydrophobicContact CD1-CD1 4.2Å; F713-I815 HydrophobicContact CE2-CG1 4.01Å; F713-I815 HydrophobicContact CZ-CD1 4.28Å; F713-I815 HydrophobicContact CZ-CG1 3.74Å; Y716-I815 HydrophobicContact CE1-CG2 4.39Å; T717-I815 HydrophobicContact CG2-CG2 4.07Å; M720-I815 HydrophobicContact SD-CG2 4.25Å; I811-I815 PolarHBondContact O-N 3.24Å; P812-I815 PolarHBondContact O-N 3.2Å; I815-C817 PolarHBondContact O-N 3.37Å; I815-C818 WeakPolarHBondContact O-CB 3.22Å; I815-C818 PolarHBondContact O-N 3.32Å; I815-C819 PolarHBondContact O-N 2.92Å; I815-C819 PolarHBondContact O-SG 3.3Å |
| 816 | A | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M720 F764 L768 P812 F813 M814 C819 L820 | M720-A816 HydrophobicContact CE-CB 3.99Å; M720-A816 VanDerWaalsContact SD-CA 3.59Å; M720-A816 HydrophobicContact SD-CB 3.97Å; F764-A816 HydrophobicContact CD2-CB 4.39Å; F764-A816 HydrophobicContact CE2-CB 3.9Å; L768-A816 HydrophobicContact CD2-CB 3.85Å; P812-A816 PolarHBondContact O-N 3.38Å; F813-A816 PolarHBondContact O-N 3.31Å; M814-A816 VanDerWaalsContact C-N 3.32Å; M814-A816 PolarHBondContact O-N 2.88Å; A816-C819 WeakPolarHBondContact O-CB 3.24Å; A816-C819 PolarHBondContact O-N 3.42Å; A816-L820 PolarHBondContact O-N 3.04Å |
| 817 | C | 92 | Very high | 88.8 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.5 | -38 | 177.9 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | F813 M814 I815 C819 L820 R821 I900 V904 | F813-C817 WeakPolarHBondContact O-CB 3.25Å; F813-C817 PolarHBondContact O-N 2.9Å; F813-C817 PolarHBondContact O-SG 3.24Å; M814-C817 PolarHBondContact O-N 3.19Å; I815-C817 PolarHBondContact O-N 3.37Å; C817-C819 VanDerWaalsContact C-N 3.31Å; C817-C819 PolarHBondContact O-N 2.9Å; C817-L820 PolarHBondContact O-N 3.26Å; C817-R821 VanDerWaalsContact O-CB 3.25Å; C817-R821 WeakPolarHBondContact O-CB 3.24Å; C817-R821 PolarHBondContact O-N 3Å; C817-I900 HydrophobicContact CB-CG2 3.93Å; C817-V904 HydrophobicContact CB-CB 4.38Å; C817-V904 HydrophobicContact CB-CG2 3.93Å |
| 818 | C | 92.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 172 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | L690 M814 I815 T822 V904 | L690-C818 HydrophobicContact CD2-CB 3.64Å; M814-C818 WeakPolarHBondContact O-CB 3.48Å; M814-C818 PolarHBondContact O-N 3.1Å; M814-C818 PolarHBondContact O-SG 3.43Å; I815-C818 WeakPolarHBondContact O-CB 3.22Å; I815-C818 PolarHBondContact O-N 3.32Å; C818-T822 WeakPolarHBondContact O-CB 3.18Å; C818-T822 PolarHBondContact O-N 3.08Å; C818-T822 PolarHBondContact O-OG1 3.5Å; C818-V904 HydrophobicContact CB-CG1 4.27Å; C818-V904 WeakPolarHBondContact SG-CG1 3.04Å |
| 819 | C | 91 | Very high | 87 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 178.8 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | M720 I724 I815 A816 C817 R821 T822 L823 | M720-C819 HydrophobicContact CB-CB 4.38Å; M720-C819 HydrophobicContact CE-CB 3.53Å; M720-C819 HydrophobicContact SD-CB 4.24Å; I724-C819 HydrophobicContact CD1-CB 3.67Å; I724-C819 HydrophobicContact CG1-CB 4.22Å; I815-C819 PolarHBondContact O-N 2.92Å; I815-C819 PolarHBondContact O-SG 3.3Å; A816-C819 WeakPolarHBondContact O-CB 3.24Å; A816-C819 PolarHBondContact O-N 3.42Å; C817-C819 VanDerWaalsContact C-N 3.31Å; C817-C819 PolarHBondContact O-N 2.9Å; C819-R821 VanDerWaalsContact C-N 3.34Å; C819-R821 PolarHBondContact O-N 2.99Å; C819-T822 WeakPolarHBondContact O-CB 3.3Å; C819-T822 PolarHBondContact O-N 3.3Å; C819-L823 WeakPolarHBondContact O-CB 3.33Å; C819-L823 PolarHBondContact O-N 2.98Å |
| 820 | L | 88.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 177.2 | -177.8 | 66.8 | 0 | 0 | 0 | 111.8 | F764 A816 C817 L823 A824 M831 L834 Y835 | F764-L820 HydrophobicContact CB-CD1 4.12Å; F764-L820 HydrophobicContact CD1-CD2 3.79Å; F764-L820 HydrophobicContact CD2-CB 3.76Å; F764-L820 HydrophobicContact CD2-CD1 4.29Å; F764-L820 HydrophobicContact CD2-CD2 3.86Å; F764-L820 HydrophobicContact CD2-CG 4.17Å; F764-L820 HydrophobicContact CE1-CD2 3.75Å; F764-L820 HydrophobicContact CE2-CB 3.89Å; F764-L820 HydrophobicContact CE2-CD2 3.83Å; F764-L820 HydrophobicContact CE2-CG 4.41Å; F764-L820 HydrophobicContact CG-CB 4.4Å; F764-L820 HydrophobicContact CG-CD1 4.11Å; F764-L820 HydrophobicContact CG-CD2 3.83Å; F764-L820 HydrophobicContact CG-CG 4.32Å; F764-L820 HydrophobicContact CZ-CD2 3.76Å; A816-L820 PolarHBondContact O-N 3.04Å; C817-L820 PolarHBondContact O-N 3.26Å; L820-L823 PolarHBondContact O-N 2.92Å; L820-A824 WeakPolarHBondContact O-CB 3.37Å; L820-A824 PolarHBondContact O-N 2.88Å; L820-M831 HydrophobicContact CD2-CE 4.27Å; L820-M831 HydrophobicContact CG-CE 3.91Å; L820-L834 HydrophobicContact CD1-CD1 4.11Å; L820-Y835 HydrophobicContact CD2-CE1 4.33Å |
| 821 | R | 85.8 | Confident | 85 | Confident | 24 Ų | 24 | 17.5 Ų | 17.5 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 176 | 177 | -179.7 | 174.4 | 80.3 | 7.8 | 111.2 | F740 C817 C819 L823 A824 L825 M831 R905 T908 E909 | F740-R821 HydrophobicContact CE1-CG 4.31Å; C817-R821 VanDerWaalsContact O-CB 3.25Å; C817-R821 WeakPolarHBondContact O-CB 3.24Å; C817-R821 PolarHBondContact O-N 3Å; C819-R821 VanDerWaalsContact C-N 3.34Å; C819-R821 PolarHBondContact O-N 2.99Å; R821-L823 VanDerWaalsContact C-N 3.34Å; R821-L823 PolarHBondContact O-N 2.88Å; R821-A824 PolarHBondContact O-N 3.44Å; R821-L825 WeakPolarHBondContact O-CG 3.41Å; R821-L825 PolarHBondContact O-N 3.48Å; R821-L825 VanDerWaalsContact O-N 3.1Å; R821-M831 HydrophobicContact CB-SD 4.39Å; R821-R905 VanDerWaalsContact NH1-CB 3.31Å; R821-T908 PolarHBondContact NE-OG1 3Å; R821-E909 IonicContact CZ-OE1 3.63Å; R821-E909 IonicContact NH1-OE1 2.82Å; R821-E909 VanDerWaalsContact NH2-CD 3.28Å; R821-E909 IonicContact NH2-OE1 3.62Å; R821-E909 PolarHBondContact NH2-OE1 3.04Å |
| 822 | T | 87.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.4 | -52.6 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | V686 L690 I724 M728 F740 C818 C819 A824 L825 F826 | V686-T822 HydrophobicContact CG1-CG2 3.63Å; L690-T822 HydrophobicContact CD1-CG2 4.38Å; I724-T822 HydrophobicContact CG2-CG2 4.29Å; M728-T822 HydrophobicContact CE-CG2 3.86Å; F740-T822 VanDerWaalsContact CZ-OG1 3.32Å; F740-T822 WeakPolarHBondContact CZ-OG1 3.49Å; C818-T822 WeakPolarHBondContact O-CB 3.18Å; C818-T822 PolarHBondContact O-N 3.08Å; C818-T822 PolarHBondContact O-OG1 3.5Å; C819-T822 WeakPolarHBondContact O-CB 3.3Å; C819-T822 PolarHBondContact O-N 3.3Å; T822-A824 VanDerWaalsContact C-N 3.31Å; T822-A824 PolarHBondContact O-N 2.91Å; T822-L825 PolarHBondContact O-N 3.18Å; T822-L825 VanDerWaalsContact O-N 3.17Å; T822-F826 HydrophobicContact CG2-CD2 4.15Å; T822-F826 HydrophobicContact CG2-CE2 3.63Å; T822-F826 WeakPolarHBondContact O-CD2 3.28Å; T822-F826 PolarHBondContact O-N 3.42Å |
| 823 | L | 85.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.9 | -42.9 | 179.7 | -179.4 | 59.5 | 0 | 0 | 0 | 113.3 | W723 E727 R760 C819 L820 R821 F826 T827 | W723-L823 HydrophobicContact CH2-CD2 3.7Å; W723-L823 HydrophobicContact CZ2-CD2 3.49Å; W723-L823 VanDerWaalsContact CZ2-CD2 3.49Å; W723-L823 HydrophobicContact CZ3-CD2 4.48Å; E727-L823 HydrophobicContact CB-CD1 3.33Å; E727-L823 HydrophobicContact CG-CD1 3.95Å; E727-L823 HydrophobicContact CG-CD2 4.25Å; R760-L823 HydrophobicContact CB-CD2 4.05Å; R760-L823 HydrophobicContact CG-CD2 3.81Å; C819-L823 WeakPolarHBondContact O-CB 3.33Å; C819-L823 PolarHBondContact O-N 2.98Å; L820-L823 PolarHBondContact O-N 2.92Å; R821-L823 VanDerWaalsContact C-N 3.34Å; R821-L823 PolarHBondContact O-N 2.88Å; L823-F826 PolarHBondContact O-N 3.28Å; L823-T827 HydrophobicContact CD1-CG2 3.66Å; L823-T827 HydrophobicContact CG-CG2 4.28Å; L823-T827 WeakPolarHBondContact O-CB 3.45Å; L823-T827 WeakPolarHBondContact O-CG2 3.43Å; L823-T827 PolarHBondContact O-N 3.29Å; L823-T827 PolarHBondContact O-OG1 3.29Å |
| 824 | A | 81.6 | Confident | 81.3 | Confident | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.6 | -33.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L820 R821 T822 F826 N828 S829 M831 L834 | L820-A824 WeakPolarHBondContact O-CB 3.37Å; L820-A824 PolarHBondContact O-N 2.88Å; R821-A824 PolarHBondContact O-N 3.44Å; T822-A824 VanDerWaalsContact C-N 3.31Å; T822-A824 PolarHBondContact O-N 2.91Å; A824-F826 VanDerWaalsContact C-N 3.3Å; A824-F826 PolarHBondContact O-N 2.86Å; A824-N828 WeakPolarHBondContact O-CA 3.14Å; A824-N828 PolarHBondContact O-N 3.15Å; A824-N828 VanDerWaalsContact O-N 3.15Å; A824-S829 PolarHBondContact O-N 2.98Å; A824-S829 VanDerWaalsContact O-N 3.14Å; A824-M831 HydrophobicContact CB-CE 3.05Å; A824-M831 HydrophobicContact CB-CG 4.08Å; A824-M831 HydrophobicContact CB-SD 3.75Å; A824-L834 HydrophobicContact CB-CD1 4.1Å |
| 825 | L | 80 | Confident | 80.2 | Confident | 44 Ų | 44 | 18.3 Ų | 18.3 | 23% | 0.23 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 172.8 | -69.7 | 172.9 | 0 | 0 | 0 | 111.2 | F740 E743 R821 T822 | F740-L825 HydrophobicContact CD1-CD1 3.55Å; F740-L825 HydrophobicContact CE1-CD1 3.91Å; E743-L825 HydrophobicContact CB-CD1 4.39Å; E743-L825 HydrophobicContact CB-CD2 3.99Å; R821-L825 WeakPolarHBondContact O-CG 3.41Å; R821-L825 PolarHBondContact O-N 3.48Å; R821-L825 VanDerWaalsContact O-N 3.1Å; T822-L825 PolarHBondContact O-N 3.18Å; T822-L825 VanDerWaalsContact O-N 3.17Å |
| 826 | F | 77.7 | Confident | 79.1 | Confident | 44 Ų | 44 | 19.3 Ų | 19.3 | 19% | 0.193 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -79.2 | -38.4 | -177.5 | -76.3 | -109.9 | 0 | 0 | 0 | 113.1 | M728 I735 L738 T822 L823 A824 N828 | M728-F826 HydrophobicContact CE-CB 3.84Å; M728-F826 HydrophobicContact CE-CD1 3.69Å; M728-F826 HydrophobicContact CE-CD2 3.17Å; M728-F826 HydrophobicContact CE-CE1 3.85Å; M728-F826 HydrophobicContact CE-CE2 3.3Å; M728-F826 HydrophobicContact CE-CG 3.3Å; M728-F826 HydrophobicContact CE-CZ 3.63Å; M728-F826 HydrophobicContact CG-CB 3.9Å; M728-F826 HydrophobicContact CG-CD1 3.8Å; M728-F826 HydrophobicContact CG-CE1 4.39Å; M728-F826 HydrophobicContact CG-CG 3.92Å; M728-F826 HydrophobicContact SD-CB 4.27Å; M728-F826 HydrophobicContact SD-CD1 3.34Å; M728-F826 WeakPolarHBondContact SD-CD1 3.37Å; M728-F826 HydrophobicContact SD-CD2 4Å; M728-F826 HydrophobicContact SD-CE1 3.35Å; M728-F826 WeakPolarHBondContact SD-CE1 3.44Å; M728-F826 HydrophobicContact SD-CE2 3.96Å; M728-F826 HydrophobicContact SD-CG 3.63Å; M728-F826 HydrophobicContact SD-CZ 3.63Å; I735-F826 HydrophobicContact CB-CZ 4.42Å; I735-F826 HydrophobicContact CG1-CE1 3.84Å; I735-F826 HydrophobicContact CG1-CZ 3.87Å; L738-F826 HydrophobicContact CB-CZ 4.25Å; L738-F826 HydrophobicContact CD1-CD1 4.36Å; L738-F826 HydrophobicContact CD1-CE1 3.42Å; L738-F826 VanDerWaalsContact CD1-CE1 3.42Å; L738-F826 HydrophobicContact CD1-CE2 4.42Å; L738-F826 HydrophobicContact CD1-CZ 3.51Å; L738-F826 HydrophobicContact CD2-CD2 4.16Å; L738-F826 HydrophobicContact CD2-CE1 4.02Å; L738-F826 HydrophobicContact CD2-CE2 3.71Å; L738-F826 HydrophobicContact CD2-CZ 3.65Å; L738-F826 HydrophobicContact CG-CE1 4.29Å; L738-F826 HydrophobicContact CG-CE2 4.48Å; L738-F826 HydrophobicContact CG-CZ 3.98Å; T822-F826 HydrophobicContact CG2-CD2 4.15Å; T822-F826 HydrophobicContact CG2-CE2 3.63Å; T822-F826 WeakPolarHBondContact O-CD2 3.28Å; T822-F826 PolarHBondContact O-N 3.42Å; L823-F826 PolarHBondContact O-N 3.28Å; A824-F826 VanDerWaalsContact C-N 3.3Å; A824-F826 PolarHBondContact O-N 2.86Å; F826-N828 PolarHBondContact O-N 2.98Å |
| 827 | T | 77.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 20.4 Ų | 20.4 | 10% | 0.098 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -83.5 | -2.9 | -176.8 | 55 | 0 | 0 | 0 | 0 | 113.1 | R760 L823 S829 | R760-T827 VanDerWaalsContact NH1-CG2 3.34Å; R760-T827 VanDerWaalsContact NH2-CG2 3.29Å; L823-T827 HydrophobicContact CD1-CG2 3.66Å; L823-T827 HydrophobicContact CG-CG2 4.28Å; L823-T827 WeakPolarHBondContact O-CB 3.45Å; L823-T827 WeakPolarHBondContact O-CG2 3.43Å; L823-T827 PolarHBondContact O-N 3.29Å; L823-T827 PolarHBondContact O-OG1 3.29Å; T827-S829 PolarHBondContact O-N 3.46Å; T827-S829 WeakPolarHBondContact OG1-CB 3.39Å; T827-S829 PolarHBondContact OG1-OG 3.22Å; T827-S829 VanDerWaalsContact OG1-OG 3.04Å |
| 828 | N | 73 | Confident | 77.1 | Confident | 85 Ų | 85 | 20.4 Ų | 20.4 | 46% | 0.455 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 31.5 | -172 | -158.4 | 14.5 | 0 | 0 | 0 | 111.9 | S748 A751 A824 F826 | S748-N828 WeakPolarHBondContact CB-OD1 3.26Å; A751-N828 WeakPolarHBondContact CB-O 3.47Å; A824-N828 WeakPolarHBondContact O-CA 3.14Å; A824-N828 PolarHBondContact O-N 3.15Å; A824-N828 VanDerWaalsContact O-N 3.15Å; F826-N828 PolarHBondContact O-N 2.98Å |
| 829 | S | 72.6 | Confident | 76.2 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 8% | 0.077 | 10% | 0.102 | C | C | . | . | trans | -83.3 | 139.6 | -179.5 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | D757 R760 A824 T827 M831 | D757-S829 WeakPolarHBondContact OD1-CB 3.26Å; D757-S829 PolarHBondContact OD1-OG 2.92Å; R760-S829 PolarHBondContact NH1-OG 2.85Å; A824-S829 PolarHBondContact O-N 2.98Å; A824-S829 VanDerWaalsContact O-N 3.14Å; T827-S829 PolarHBondContact O-N 3.46Å; T827-S829 WeakPolarHBondContact OG1-CB 3.39Å; T827-S829 PolarHBondContact OG1-OG 3.22Å; T827-S829 VanDerWaalsContact OG1-OG 3.04Å; S829-M831 PolarHBondContact O-N 3.43Å | ||
| 830 | R | 68.9 | Low | 75.3 | Confident | 53 Ų | 53 | 22.7 Ų | 22.7 | 20% | 0.2 | 11% | 0.111 | C | C | . | . | trans | -70.9 | 115 | 177.1 | -96.8 | -178.5 | 76.5 | 174.2 | 5.1 | 110 | S473 A751 D832 T833 L834 | S473-R830 PolarHBondContact OG-NH1 3.03Å; S473-R830 PolarHBondContact OG-NH2 3.01Å; A751-R830 HydrophobicContact CB-CG 4.13Å; A751-R830 VanDerWaalsContact O-CD 3.32Å; A751-R830 WeakPolarHBondContact O-CD 3.37Å; R830-D832 WeakPolarHBondContact CB-OD1 3.39Å; R830-D832 WeakPolarHBondContact CG-OD1 3.45Å; R830-D832 IonicContact CZ-OD1 3.46Å; R830-D832 IonicContact CZ-OD2 3.47Å; R830-D832 IonicContact NE-OD1 2.81Å; R830-D832 PolarHBondContact NE-OD1 3.01Å; R830-D832 IonicContact NE-OD2 3.08Å; R830-D832 PolarHBondContact NE-OD2 3.35Å; R830-D832 IonicContact NH2-OD1 3.32Å; R830-D832 IonicContact NH2-OD2 3.42Å; R830-D832 PolarHBondContact NH2-OD2 2.91Å; R830-D832 PolarHBondContact O-N 3.48Å; R830-T833 VanDerWaalsContact CB-OG1 3.29Å; R830-T833 WeakPolarHBondContact CB-OG1 3.42Å; R830-T833 WeakPolarHBondContact O-CB 3.44Å; R830-T833 PolarHBondContact O-N 2.99Å; R830-L834 PolarHBondContact O-N 2.9Å | ||
| 831 | M | 68.4 | Low | 74.4 | Confident | 42 Ų | 42 | 23.2 Ų | 23.2 | 21% | 0.207 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.1 | -39.9 | 175.6 | -68.5 | -89.9 | 71 | 0 | 0 | 111.5 | L820 R821 A824 S829 T833 L834 Y835 | L820-M831 HydrophobicContact CD2-CE 4.27Å; L820-M831 HydrophobicContact CG-CE 3.91Å; R821-M831 HydrophobicContact CB-SD 4.39Å; A824-M831 HydrophobicContact CB-CE 3.05Å; A824-M831 HydrophobicContact CB-CG 4.08Å; A824-M831 HydrophobicContact CB-SD 3.75Å; S829-M831 PolarHBondContact O-N 3.43Å; M831-T833 PolarHBondContact O-N 2.95Å; M831-L834 HydrophobicContact CE-CD1 3.51Å; M831-L834 PolarHBondContact O-N 3.37Å; M831-Y835 VanDerWaalsContact C-CD2 3.43Å; M831-Y835 HydrophobicContact CB-CD2 4.3Å; M831-Y835 HydrophobicContact CB-CE2 3.66Å; M831-Y835 WeakPolarHBondContact O-CD2 3.31Å; M831-Y835 WeakPolarHBondContact O-CE2 3.49Å; M831-Y835 PolarHBondContact O-N 3.22Å |
| 832 | D | 66 | Low | 73.7 | Confident | 15 Ų | 15 | 22 Ų | 22 | 8% | 0.08 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 175.4 | 48.4 | -5.9 | 0 | 0 | 0 | 113.5 | M1 V2 R830 Y835 W836 | M1-D832 PolarHBondContact N-OD2 3.32Å; V2-D832 HydrophobicContact CG2-CB 3.74Å; R830-D832 WeakPolarHBondContact CB-OD1 3.39Å; R830-D832 WeakPolarHBondContact CG-OD1 3.45Å; R830-D832 IonicContact CZ-OD1 3.46Å; R830-D832 IonicContact CZ-OD2 3.47Å; R830-D832 IonicContact NE-OD1 2.81Å; R830-D832 PolarHBondContact NE-OD1 3.01Å; R830-D832 IonicContact NE-OD2 3.08Å; R830-D832 PolarHBondContact NE-OD2 3.35Å; R830-D832 IonicContact NH2-OD1 3.32Å; R830-D832 IonicContact NH2-OD2 3.42Å; R830-D832 PolarHBondContact NH2-OD2 2.91Å; R830-D832 PolarHBondContact O-N 3.48Å; D832-Y835 PolarHBondContact O-N 3.23Å; D832-W836 WeakPolarHBondContact O-CB 3.33Å; D832-W836 PolarHBondContact O-N 3.26Å |
| 833 | T | 67.2 | Low | 73 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | L470 V753 R830 M831 Y835 W836 L837 | L470-T833 HydrophobicContact CD2-CG2 4.07Å; V753-T833 HydrophobicContact CB-CG2 4.1Å; V753-T833 HydrophobicContact CG1-CG2 3.75Å; V753-T833 HydrophobicContact CG2-CG2 3.48Å; V753-T833 VanDerWaalsContact CG2-CG2 3.48Å; R830-T833 VanDerWaalsContact CB-OG1 3.29Å; R830-T833 WeakPolarHBondContact CB-OG1 3.42Å; R830-T833 WeakPolarHBondContact O-CB 3.44Å; R830-T833 PolarHBondContact O-N 2.99Å; M831-T833 PolarHBondContact O-N 2.95Å; T833-Y835 VanDerWaalsContact C-N 3.29Å; T833-Y835 PolarHBondContact O-N 3.38Å; T833-W836 PolarHBondContact O-N 2.85Å; T833-L837 HydrophobicContact CG2-CD1 4.13Å; T833-L837 WeakPolarHBondContact O-CG 3.16Å; T833-L837 PolarHBondContact O-N 3.44Å |
| 834 | L | 69.1 | Low | 72.4 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 179 | -70.6 | 165.3 | 0 | 0 | 0 | 111.3 | D757 A761 L820 A824 R830 M831 L837 V838 | D757-L834 HydrophobicContact CB-CD2 4.06Å; D757-L834 WeakPolarHBondContact O-CD2 3.34Å; A761-L834 HydrophobicContact CB-CD2 4.22Å; L820-L834 HydrophobicContact CD1-CD1 4.11Å; A824-L834 HydrophobicContact CB-CD1 4.1Å; R830-L834 PolarHBondContact O-N 2.9Å; M831-L834 HydrophobicContact CE-CD1 3.51Å; M831-L834 PolarHBondContact O-N 3.37Å; L834-L837 WeakPolarHBondContact O-CB 3.36Å; L834-L837 PolarHBondContact O-N 3.2Å; L834-V838 VanDerWaalsContact O-CG2 3.31Å; L834-V838 WeakPolarHBondContact O-CG2 3.4Å; L834-V838 PolarHBondContact O-N 3.46Å |
| 835 | Y | 71.8 | Confident | 71.8 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 13% | 0.125 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 175.9 | -62.3 | -45.1 | 0 | 0 | 0 | 113 | L820 M831 D832 T833 L837 V838 V839 M898 S901 | L820-Y835 HydrophobicContact CD2-CE1 4.33Å; M831-Y835 VanDerWaalsContact C-CD2 3.43Å; M831-Y835 HydrophobicContact CB-CD2 4.3Å; M831-Y835 HydrophobicContact CB-CE2 3.66Å; M831-Y835 WeakPolarHBondContact O-CD2 3.31Å; M831-Y835 WeakPolarHBondContact O-CE2 3.49Å; M831-Y835 PolarHBondContact O-N 3.22Å; D832-Y835 PolarHBondContact O-N 3.23Å; T833-Y835 VanDerWaalsContact C-N 3.29Å; T833-Y835 PolarHBondContact O-N 3.38Å; Y835-L837 VanDerWaalsContact C-N 3.27Å; Y835-L837 PolarHBondContact O-N 2.79Å; Y835-V838 CarbonylContact O-C 3.57Å; Y835-V838 WeakPolarHBondContact O-CB 3.48Å; Y835-V838 PolarHBondContact O-N 3.19Å; Y835-V838 VanDerWaalsContact O-N 3.14Å; Y835-V839 WeakPolarHBondContact O-CG2 3.35Å; Y835-V839 PolarHBondContact O-N 3.08Å; Y835-M898 VanDerWaalsContact CB-SD 3.51Å; Y835-M898 HydrophobicContact CD1-SD 3.63Å; Y835-M898 HydrophobicContact CD2-CE 4.09Å; Y835-M898 HydrophobicContact CD2-SD 3.53Å; Y835-M898 VanDerWaalsContact CD2-SD 3.53Å; Y835-M898 HydrophobicContact CE1-SD 4.24Å; Y835-M898 HydrophobicContact CE2-SD 4.17Å; Y835-M898 HydrophobicContact CG-CE 4.35Å; Y835-M898 HydrophobicContact CG-SD 3.27Å; Y835-S901 WeakPolarHBondContact CE1-OG 3.21Å; Y835-S901 WeakPolarHBondContact OH-CB 3.35Å; Y835-S901 PolarHBondContact OH-OG 3.05Å; Y835-S901 VanDerWaalsContact OH-OG 3.1Å |
| 836 | W | 71.2 | Confident | 70.9 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 8% | 0.083 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 174.4 | -76.9 | 128.4 | 0 | 0 | 0 | 112.5 | V2 W462 V466 I469 L470 D832 T833 V839 I840 | V2-W836 HydrophobicContact CB-CZ2 4.46Å; V2-W836 HydrophobicContact CG1-CH2 4.13Å; V2-W836 HydrophobicContact CG1-CZ2 3.26Å; V2-W836 HydrophobicContact CG2-CZ2 4.44Å; W462-W836 HydrophobicContact CZ2-CZ3 4.24Å; V466-W836 HydrophobicContact CG1-CB 4.42Å; V466-W836 HydrophobicContact CG1-CD2 4.28Å; V466-W836 HydrophobicContact CG1-CE3 3.62Å; V466-W836 HydrophobicContact CG1-CZ3 4.23Å; V466-W836 HydrophobicContact CG2-CE3 4.28Å; V466-W836 HydrophobicContact CG2-CZ3 4.07Å; I469-W836 HydrophobicContact CD1-CH2 3.77Å; I469-W836 HydrophobicContact CD1-CZ2 3.71Å; I469-W836 HydrophobicContact CD1-CZ3 4.39Å; I469-W836 HydrophobicContact CG2-CZ2 4.07Å; L470-W836 HydrophobicContact CD1-CB 4.27Å; L470-W836 HydrophobicContact CD2-CB 3.38Å; L470-W836 HydrophobicContact CD2-CG 4.15Å; L470-W836 HydrophobicContact CG-CB 3.81Å; D832-W836 WeakPolarHBondContact O-CB 3.33Å; D832-W836 PolarHBondContact O-N 3.26Å; T833-W836 PolarHBondContact O-N 2.85Å; W836-V839 HydrophobicContact CE3-CB 4.17Å; W836-V839 HydrophobicContact CE3-CG1 4.27Å; W836-V839 HydrophobicContact CE3-CG2 3.91Å; W836-V839 HydrophobicContact CZ3-CG1 4.42Å; W836-V839 HydrophobicContact CZ3-CG2 4.35Å; W836-V839 WeakPolarHBondContact O-CB 3.34Å; W836-V839 PolarHBondContact O-N 3Å; W836-I840 WeakPolarHBondContact O-CG1 3.47Å; W836-I840 PolarHBondContact O-N 3.47Å |
| 837 | L | 72.4 | Confident | 70 | Confident | 23 Ų | 23 | 19.6 Ų | 19.6 | 12% | 0.12 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 171.1 | -71.4 | 169.1 | 0 | 0 | 0 | 111.3 | L470 D757 A761 T833 L834 Y835 I840 V841 | L470-L837 HydrophobicContact CD1-CD2 4.08Å; D757-L837 HydrophobicContact CB-CD1 4.24Å; A761-L837 HydrophobicContact CB-CB 3.94Å; A761-L837 HydrophobicContact CB-CD1 4.28Å; T833-L837 HydrophobicContact CG2-CD1 4.13Å; T833-L837 WeakPolarHBondContact O-CG 3.16Å; T833-L837 PolarHBondContact O-N 3.44Å; L834-L837 WeakPolarHBondContact O-CB 3.36Å; L834-L837 PolarHBondContact O-N 3.2Å; Y835-L837 VanDerWaalsContact C-N 3.27Å; Y835-L837 PolarHBondContact O-N 2.79Å; L837-I840 PolarHBondContact O-N 3.23Å; L837-V841 WeakPolarHBondContact O-CG2 3.31Å; L837-V841 PolarHBondContact O-N 3.32Å |
| 838 | V | 71.4 | Confident | 68.7 | Low | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.9 | 175 | 0 | 0 | 0 | 0 | 111.7 | F764 I765 L834 Y835 V841 G842 V894 | F764-V838 HydrophobicContact CD1-CG2 3.83Å; F764-V838 HydrophobicContact CE1-CG2 4.02Å; I765-V838 HydrophobicContact CD1-CB 4.39Å; I765-V838 HydrophobicContact CD1-CG1 4.35Å; I765-V838 HydrophobicContact CD1-CG2 4.07Å; I765-V838 HydrophobicContact CG1-CG1 4.24Å; I765-V838 HydrophobicContact CG1-CG2 3.98Å; L834-V838 VanDerWaalsContact O-CG2 3.31Å; L834-V838 WeakPolarHBondContact O-CG2 3.4Å; L834-V838 PolarHBondContact O-N 3.46Å; Y835-V838 CarbonylContact O-C 3.57Å; Y835-V838 WeakPolarHBondContact O-CB 3.48Å; Y835-V838 PolarHBondContact O-N 3.19Å; Y835-V838 VanDerWaalsContact O-N 3.14Å; V838-V841 PolarHBondContact O-N 3.33Å; V838-G842 PolarHBondContact O-N 2.87Å; V838-V894 HydrophobicContact CG1-CG2 4.43Å |
| 839 | V | 72.3 | Confident | 67.2 | Low | 11 Ų | 11 | 20.5 Ų | 20.5 | 7% | 0.067 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.8 | -50.4 | 172.7 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | V466 Y835 W836 V841 G842 D843 V894 | V466-V839 HydrophobicContact CG2-CG1 4.33Å; Y835-V839 WeakPolarHBondContact O-CG2 3.35Å; Y835-V839 PolarHBondContact O-N 3.08Å; W836-V839 HydrophobicContact CE3-CB 4.17Å; W836-V839 HydrophobicContact CE3-CG1 4.27Å; W836-V839 HydrophobicContact CE3-CG2 3.91Å; W836-V839 HydrophobicContact CZ3-CG1 4.42Å; W836-V839 HydrophobicContact CZ3-CG2 4.35Å; W836-V839 WeakPolarHBondContact O-CB 3.34Å; W836-V839 PolarHBondContact O-N 3Å; V839-V841 VanDerWaalsContact C-N 3.29Å; V839-V841 PolarHBondContact O-N 2.82Å; V839-G842 PolarHBondContact O-N 3.49Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.31Å; V839-D843 WeakPolarHBondContact O-CB 3.39Å; V839-D843 PolarHBondContact O-N 3.28Å; V839-V894 HydrophobicContact CB-CG1 4.16Å; V839-V894 HydrophobicContact CG2-CG1 3.34Å |
| 840 | I | 71.8 | Confident | 65.7 | Low | 39 Ų | 39 | 28.1 Ų | 28.1 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 178.3 | -73.1 | 178.2 | 0 | 0 | 0 | 110.8 | L463 V466 L470 W836 L837 F844 | L463-I840 HydrophobicContact CD2-CG1 4.47Å; L463-I840 HydrophobicContact CD2-CG2 4.38Å; V466-I840 HydrophobicContact CB-CG1 4.29Å; V466-I840 HydrophobicContact CG1-CD1 3.96Å; V466-I840 HydrophobicContact CG1-CG1 3.59Å; L470-I840 HydrophobicContact CD1-CD1 3.29Å; L470-I840 HydrophobicContact CD1-CG1 4.44Å; W836-I840 WeakPolarHBondContact O-CG1 3.47Å; W836-I840 PolarHBondContact O-N 3.47Å; L837-I840 PolarHBondContact O-N 3.23Å; I840-F844 WeakPolarHBondContact O-CB 3.12Å; I840-F844 PolarHBondContact O-N 3.14Å |
| 841 | V | 71.2 | Confident | 64.1 | Low | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 179.9 | 173 | 0 | 0 | 0 | 0 | 111.4 | I549 L762 I765 L837 V838 V839 F844 Q845 | I549-V841 HydrophobicContact CB-CG1 4.45Å; I549-V841 HydrophobicContact CD1-CB 4.18Å; I549-V841 HydrophobicContact CD1-CG1 3.77Å; I549-V841 HydrophobicContact CD1-CG2 3.71Å; I549-V841 HydrophobicContact CG1-CG1 3.63Å; I549-V841 HydrophobicContact CG1-CG2 4.29Å; I549-V841 HydrophobicContact CG2-CG1 3.98Å; L762-V841 HydrophobicContact CD2-CG2 4.26Å; I765-V841 HydrophobicContact CD1-CB 3.44Å; I765-V841 VanDerWaalsContact CD1-CB 3.44Å; I765-V841 HydrophobicContact CD1-CG1 3.42Å; I765-V841 VanDerWaalsContact CD1-CG1 3.42Å; I765-V841 HydrophobicContact CD1-CG2 3.67Å; I765-V841 HydrophobicContact CG2-CG1 4.4Å; L837-V841 WeakPolarHBondContact O-CG2 3.31Å; L837-V841 PolarHBondContact O-N 3.32Å; V838-V841 PolarHBondContact O-N 3.33Å; V839-V841 VanDerWaalsContact C-N 3.29Å; V839-V841 PolarHBondContact O-N 2.82Å; V841-F844 WeakPolarHBondContact O-CB 3.48Å; V841-F844 PolarHBondContact O-N 2.57Å; V841-Q845 WeakPolarHBondContact O-CG 3.27Å; V841-Q845 PolarHBondContact O-N 3.04Å |
| 842 | G | 70.9 | Confident | 62.8 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V838 V839 F844 Q845 A846 | V838-G842 PolarHBondContact O-N 2.87Å; V839-G842 PolarHBondContact O-N 3.49Å; G842-F844 VanDerWaalsContact C-N 3.33Å; G842-F844 PolarHBondContact O-N 3.47Å; G842-Q845 WeakPolarHBondContact O-CB 3.27Å; G842-Q845 PolarHBondContact O-N 3.27Å; G842-A846 PolarHBondContact O-N 3.39Å |
| 843 | D | 72 | Confident | 61.3 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.6 | -72.5 | -20 | 0 | 0 | 0 | 111.5 | H14 W462 L463 V839 Q845 A846 T847 | H14-D843 IonicContact CD2-OD1 3.17Å; H14-D843 IonicContact CE1-OD1 3.97Å; H14-D843 IonicContact CE1-OD2 2.72Å; H14-D843 IonicContact NE2-OD1 3.49Å; H14-D843 PolarHBondContact NE2-OD1 3.24Å; H14-D843 VanDerWaalsContact NE2-OD1 3.08Å; H14-D843 IonicContact NE2-OD2 3.55Å; W462-D843 PolarHBondContact NE1-OD2 2.62Å; L463-D843 HydrophobicContact CD2-CB 3.68Å; L463-D843 HydrophobicContact CG-CB 4.3Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.31Å; V839-D843 WeakPolarHBondContact O-CB 3.39Å; V839-D843 PolarHBondContact O-N 3.28Å; D843-Q845 VanDerWaalsContact C-N 3.34Å; D843-Q845 PolarHBondContact O-N 3.27Å; D843-A846 WeakPolarHBondContact O-CB 3.42Å; D843-A846 PolarHBondContact O-N 3.41Å; D843-A846 VanDerWaalsContact O-N 3.11Å; D843-T847 WeakPolarHBondContact O-CB 3.46Å; D843-T847 PolarHBondContact O-N 3.34Å; D843-T847 PolarHBondContact O-OG1 2.92Å |
| 844 | F | 72.7 | Confident | 59.5 | Low | 40 Ų | 40 | 48.7 Ų | 48.7 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 174.2 | -173.7 | -89.1 | 0 | 0 | 0 | 111.3 | V546 I549 I840 V841 G842 A846 T847 V848 | V546-F844 HydrophobicContact CB-CE1 4.36Å; V546-F844 HydrophobicContact CB-CZ 4.14Å; V546-F844 HydrophobicContact CG1-CE1 3.91Å; V546-F844 HydrophobicContact CG1-CZ 3.7Å; V546-F844 HydrophobicContact CG2-CE1 4.04Å; V546-F844 HydrophobicContact CG2-CE2 4.1Å; V546-F844 HydrophobicContact CG2-CZ 3.47Å; V546-F844 VanDerWaalsContact CG2-CZ 3.47Å; I549-F844 HydrophobicContact CD1-CD1 4.38Å; I549-F844 HydrophobicContact CG2-CD1 3.94Å; I840-F844 WeakPolarHBondContact O-CB 3.12Å; I840-F844 PolarHBondContact O-N 3.14Å; V841-F844 WeakPolarHBondContact O-CB 3.48Å; V841-F844 PolarHBondContact O-N 2.57Å; G842-F844 VanDerWaalsContact C-N 3.33Å; G842-F844 PolarHBondContact O-N 3.47Å; F844-A846 PolarHBondContact O-N 3.22Å; F844-T847 PolarHBondContact O-N 3.5Å; F844-V848 HydrophobicContact CD1-CG2 3.97Å; F844-V848 HydrophobicContact CD2-CG2 3.47Å; F844-V848 VanDerWaalsContact CD2-CG2 3.47Å; F844-V848 HydrophobicContact CE1-CG2 3.78Å; F844-V848 HydrophobicContact CE2-CG2 3.27Å; F844-V848 HydrophobicContact CG-CG2 3.82Å; F844-V848 HydrophobicContact CZ-CG2 3.42Å; F844-V848 VanDerWaalsContact CZ-CG2 3.42Å |
| 845 | Q | 70.5 | Confident | 58 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -29.5 | 174 | -68.1 | 175.9 | -43.1 | 0 | 0 | 112.8 | I549 V553 V841 G842 D843 | I549-Q845 HydrophobicContact CG2-CG 3.35Å; V553-Q845 HydrophobicContact CG2-CB 3.99Å; V553-Q845 HydrophobicContact CG2-CG 3.62Å; V841-Q845 WeakPolarHBondContact O-CG 3.27Å; V841-Q845 PolarHBondContact O-N 3.04Å; G842-Q845 WeakPolarHBondContact O-CB 3.27Å; G842-Q845 PolarHBondContact O-N 3.27Å; D843-Q845 VanDerWaalsContact C-N 3.34Å; D843-Q845 PolarHBondContact O-N 3.27Å |
| 846 | A | 60.2 | Low | 56.4 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.4 | -24.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F459 G842 D843 F844 M891 | F459-A846 HydrophobicContact CE1-CB 3.95Å; F459-A846 HydrophobicContact CZ-CB 3.98Å; G842-A846 PolarHBondContact O-N 3.39Å; D843-A846 WeakPolarHBondContact O-CB 3.42Å; D843-A846 PolarHBondContact O-N 3.41Å; D843-A846 VanDerWaalsContact O-N 3.11Å; F844-A846 PolarHBondContact O-N 3.22Å; A846-M891 HydrophobicContact CB-SD 3.89Å |
| 847 | T | 59.3 | Low | 54.7 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -117.9 | -38.9 | -153.3 | -48.9 | 0 | 0 | 0 | 0 | 118.7 | I456 F459 D843 F844 L849 Q866 | I456-T847 HydrophobicContact CG2-CG2 4.47Å; F459-T847 HydrophobicContact CB-CG2 3.14Å; F459-T847 WeakPolarHBondContact CB-OG1 3.43Å; F459-T847 VanDerWaalsContact CD1-OG1 3.26Å; F459-T847 WeakPolarHBondContact CD1-OG1 3.32Å; F459-T847 HydrophobicContact CD2-CG2 4.31Å; F459-T847 HydrophobicContact CG-CG2 3.91Å; F459-T847 WeakPolarHBondContact CG-OG1 3.44Å; D843-T847 WeakPolarHBondContact O-CB 3.46Å; D843-T847 PolarHBondContact O-N 3.34Å; D843-T847 PolarHBondContact O-OG1 2.92Å; F844-T847 PolarHBondContact O-N 3.5Å; T847-L849 PolarHBondContact O-N 3.26Å; T847-Q866 PolarHBondContact O-OE1 3.49Å |
| 848 | V | 50.3 | Low | 53.2 | Low | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | trans | -54.8 | 127.1 | -148.7 | 168.3 | 0 | 0 | 0 | 0 | 116.2 | F844 R850 Q866 | F844-V848 HydrophobicContact CD1-CG2 3.97Å; F844-V848 HydrophobicContact CD2-CG2 3.47Å; F844-V848 VanDerWaalsContact CD2-CG2 3.47Å; F844-V848 HydrophobicContact CE1-CG2 3.78Å; F844-V848 HydrophobicContact CE2-CG2 3.27Å; F844-V848 HydrophobicContact CG-CG2 3.82Å; F844-V848 HydrophobicContact CZ-CG2 3.42Å; F844-V848 VanDerWaalsContact CZ-CG2 3.42Å; V848-R850 PolarHBondContact O-N 3.41Å; V848-R850 VanDerWaalsContact O-N 3.11Å; V848-Q866 VanDerWaalsContact CB-NE2 3.27Å; V848-Q866 VanDerWaalsContact N-OE1 3.14Å; V848-Q866 PolarHBondContact O-NE2 2.95Å; V848-Q866 PolarHBondContact O-OE1 3.48Å | ||
| 849 | L | 40.3 | Very low | 51.6 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | trans | -51.4 | 121.8 | 177.8 | -90.2 | 89.3 | 0 | 0 | 0 | 113.7 | I456 C460 T847 F851 | I456-L849 HydrophobicContact CG2-CD1 3.54Å; I456-L849 HydrophobicContact CG2-CG 4.04Å; C460-L849 VanDerWaalsContact SG-CD1 3.6Å; T847-L849 PolarHBondContact O-N 3.26Å; L849-F851 PolarHBondContact O-N 2.92Å | ||
| 850 | R | 42.2 | Very low | 49.9 | Very low | 171 Ų | 171 | 86 Ų | 86 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | trans | -60.8 | 100.8 | 153 | -171.4 | -176.4 | 177.1 | 175.7 | 0.4 | 107.6 | V848 E852 | V848-R850 PolarHBondContact O-N 3.41Å; V848-R850 VanDerWaalsContact O-N 3.11Å; R850-E852 HydrophobicContact CG-CG 3.85Å; R850-E852 IonicContact CZ-OE1 3.18Å; R850-E852 IonicContact NE-OE1 2.73Å; R850-E852 PolarHBondContact NE-OE1 3.38Å; R850-E852 IonicContact NH2-OE1 3.17Å; R850-E852 PolarHBondContact NH2-OE1 3.45Å; R850-E852 PolarHBondContact O-N 2.93Å | ||
| 851 | F | 34.8 | Very low | 48.1 | Very low | 167 Ų | 167 | 91.3 Ų | 91.3 | 73% | 0.732 | 46% | 0.457 | S | S | * | . | trans | -73.3 | 74.4 | 173.2 | -125.6 | -87.7 | 0 | 0 | 0 | 109.5 | L849 F853 | L849-F851 PolarHBondContact O-N 2.92Å; F851-F853 HydrophobicContact CD1-CB 3.93Å; F851-F853 HydrophobicContact CE1-CB 4.11Å; F851-F853 PolarHBondContact O-N 3.41Å | ||
| 852 | E | 41.2 | Very low | 46.3 | Very low | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 20.1 | 169.6 | -87.7 | -89.1 | 153.6 | 0 | 0 | 112.8 | R850 | R850-E852 HydrophobicContact CG-CG 3.85Å; R850-E852 IonicContact CZ-OE1 3.18Å; R850-E852 IonicContact NE-OE1 2.73Å; R850-E852 PolarHBondContact NE-OE1 3.38Å; R850-E852 IonicContact NH2-OE1 3.17Å; R850-E852 PolarHBondContact NH2-OE1 3.45Å; R850-E852 PolarHBondContact O-N 2.93Å |
| 853 | F | 33.9 | Very low | 44.4 | Very low | 186 Ų | 186 | 101.9 Ų | 101.9 | 82% | 0.816 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.4 | 174 | -155 | -101.7 | 0 | 0 | 0 | 114.1 | F851 | F851-F853 HydrophobicContact CD1-CB 3.93Å; F851-F853 HydrophobicContact CE1-CB 4.11Å; F851-F853 PolarHBondContact O-N 3.41Å |
| 854 | C | 30.7 | Very low | 43 | Very low | 84 Ų | 84 | 106 Ų | 106 | 57% | 0.568 | 55% | 0.545 | S | S | * | . | trans | -118.4 | 75.9 | 175.1 | -148.7 | 0 | 0 | 0 | 0 | 111.6 | L856 | C854-L856 PolarHBondContact O-N 3.18Å; C854-L856 VanDerWaalsContact O-N 3.08Å | ||
| 855 | R | 38 | Very low | 41.7 | Very low | 231 Ų | 231 | 106.5 Ų | 106.5 | 87% | 0.872 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 24 | 167.5 | -112.6 | -174.6 | -168.2 | -171.7 | 2 | 113.3 | ||
| 856 | L | 37.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 106.9 Ų | 106.9 | 83% | 0.827 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 7.2 | -175.8 | -114.4 | 116.4 | 0 | 0 | 0 | 116.8 | C854 | C854-L856 PolarHBondContact O-N 3.18Å; C854-L856 VanDerWaalsContact O-N 3.08Å |
| 857 | T | 35.4 | Very low | 42.4 | Very low | 112 Ų | 112 | 106.9 Ų | 106.9 | 69% | 0.687 | 55% | 0.55 | S | S | * | . | trans | -135.1 | 85.3 | 164.3 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | N859 | T857-N859 PolarHBondContact O-N 3.3Š| ||
| 858 | A | 39.8 | Very low | 43.5 | Very low | 88 Ų | 88 | 106.9 Ų | 106.9 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -60.1 | 131.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 859 | N | 39.2 | Very low | 45 | Very low | 152 Ų | 152 | 110 Ų | 110 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 80.6 | 93.2 | 176.7 | -46.5 | -32 | 0 | 0 | 0 | 114.5 | T857 | T857-N859 PolarHBondContact O-N 3.3Š|
| 860 | V | 36.5 | Very low | 47 | Very low | 134 Ų | 134 | 108.5 Ų | 108.5 | 81% | 0.812 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 168.9 | -10.8 | 130 | 159.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 861 | F | 32.6 | Very low | 49.1 | Very low | 151 Ų | 151 | 100.8 Ų | 100.8 | 66% | 0.662 | 52% | 0.524 | S | S | * | . | trans | -141.5 | 67.2 | 177.3 | -111.5 | -88.7 | 0 | 0 | 0 | 113.7 | F864 | F861-F864 HydrophobicContact CD1-CE1 4.34Å; F861-F864 AromaticContact CD1-CE2 3.77Å; F861-F864 HydrophobicContact CD1-CE2 3.77Å; F861-F864 AromaticContact CD1-CZ 3.5Å; F861-F864 HydrophobicContact CD1-CZ 3.5Å; F861-F864 HydrophobicContact CE1-CE1 4.4Å; F861-F864 AromaticContact CE1-CZ 3.91Å; F861-F864 HydrophobicContact CE1-CZ 3.91Å | ||
| 862 | A | 34.3 | Very low | 51.5 | Low | 106 Ų | 106 | 96.6 Ų | 96.6 | 88% | 0.876 | 51% | 0.506 | S | S | * | . | trans | -108.8 | 20.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 863 | L | 31.2 | Very low | 53.5 | Low | 126 Ų | 126 | 92.9 Ų | 92.9 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | trans | -107.6 | 79.6 | 175.6 | -93.7 | 143.8 | 0 | 0 | 0 | 109.3 | ||||
| 864 | F | 41.8 | Very low | 55.6 | Low | 89 Ų | 89 | 88 Ų | 88 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | trans | -125.8 | 106.1 | 162.2 | -65.2 | -75 | 0 | 0 | 0 | 106.8 | F861 | F861-F864 HydrophobicContact CD1-CE1 4.34Å; F861-F864 AromaticContact CD1-CE2 3.77Å; F861-F864 HydrophobicContact CD1-CE2 3.77Å; F861-F864 AromaticContact CD1-CZ 3.5Å; F861-F864 HydrophobicContact CD1-CZ 3.5Å; F861-F864 HydrophobicContact CE1-CE1 4.4Å; F861-F864 AromaticContact CE1-CZ 3.91Å; F861-F864 HydrophobicContact CE1-CZ 3.91Å | ||
| 865 | Q | 45.7 | Very low | 57.7 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 23% | 0.229 | 47% | 0.467 | C | S | . | . | trans | -103.6 | 120.9 | -178.4 | -88.4 | -178.4 | -28.2 | 0 | 0 | 108.3 | V553 L870 | V553-Q865 HydrophobicContact CG1-CB 4.42Å; V553-Q865 WeakPolarHBondContact CG1-O 3.13Å; Q865-L870 HydrophobicContact CB-CD1 3.87Å; Q865-L870 HydrophobicContact CG-CD1 4.22Å | ||
| 866 | Q | 68.7 | Low | 59 | Low | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.037 | 43% | 0.428 | C | S | . | . | trans | -140 | 139.9 | -177.1 | -74.2 | 158 | 26.1 | 0 | 0 | 112.6 | T847 V848 L868 F869 L870 | T847-Q866 PolarHBondContact O-OE1 3.49Å; V848-Q866 VanDerWaalsContact CB-NE2 3.27Å; V848-Q866 VanDerWaalsContact N-OE1 3.14Å; V848-Q866 PolarHBondContact O-NE2 2.95Å; V848-Q866 PolarHBondContact O-OE1 3.48Å; Q866-L868 PolarHBondContact O-N 3.17Å; Q866-F869 PolarHBondContact O-N 3.15Å; Q866-F869 VanDerWaalsContact O-N 3.1Å; Q866-L870 WeakPolarHBondContact O-CB 3.44Å; Q866-L870 WeakPolarHBondContact O-CG 3.49Å; Q866-L870 PolarHBondContact O-N 2.69Å | ||
| 867 | F | 77 | Confident | 60.5 | Low | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | -167.4 | -62.1 | -52.9 | 0 | 0 | 0 | 113.9 | V553 F556 F557 F869 L870 L871 H886 Y887 A890 | V553-F867 HydrophobicContact CG1-CE1 4.42Å; V553-F867 HydrophobicContact CG1-CE2 4.37Å; V553-F867 HydrophobicContact CG1-CZ 3.93Å; F556-F867 HydrophobicContact CB-CE1 4.17Å; F556-F867 HydrophobicContact CB-CZ 4Å; F556-F867 HydrophobicContact CD1-CZ 4.05Å; F556-F867 HydrophobicContact CD2-CE1 4.34Å; F556-F867 HydrophobicContact CD2-CE2 4.06Å; F556-F867 AromaticContact CD2-CZ 3.37Å; F556-F867 HydrophobicContact CD2-CZ 3.37Å; F556-F867 HydrophobicContact CE1-CZ 4.32Å; F556-F867 AromaticContact CE2-CE2 3.8Å; F556-F867 HydrophobicContact CE2-CE2 3.8Å; F556-F867 AromaticContact CE2-CZ 3.6Å; F556-F867 HydrophobicContact CE2-CZ 3.6Å; F556-F867 HydrophobicContact CG-CE1 4.12Å; F556-F867 AromaticContact CG-CZ 3.55Å; F556-F867 HydrophobicContact CG-CZ 3.55Å; F556-F867 HydrophobicContact CZ-CE2 4.18Å; F556-F867 HydrophobicContact CZ-CZ 4.1Å; F557-F867 HydrophobicContact CE2-CE1 4.05Å; F557-F867 AromaticContact CZ-CE1 3.99Å; F557-F867 HydrophobicContact CZ-CE1 3.99Å; F867-F869 VanDerWaalsContact C-N 3.33Å; F867-F869 PolarHBondContact O-N 3.25Å; F867-L870 CarbonylContact O-C 3.54Å; F867-L870 PolarHBondContact O-N 3.28Å; F867-L870 VanDerWaalsContact O-N 3.1Å; F867-L871 WeakPolarHBondContact O-CG 3.14Å; F867-L871 PolarHBondContact O-N 3.34Å; F867-H886 HydrophobicContact CD1-CB 3.26Å; F867-H886 HydrophobicContact CD2-CB 4.46Å; F867-H886 HydrophobicContact CE1-CB 3.31Å; F867-H886 AromaticContact CE1-CG 3.86Å; F867-H886 AromaticContact CE1-ND1 3.91Å; F867-H886 HydrophobicContact CE2-CB 4.45Å; F867-H886 HydrophobicContact CG-CB 3.92Å; F867-H886 HydrophobicContact CZ-CB 3.93Å; F867-Y887 HydrophobicContact CB-CD2 3.98Å; F867-Y887 HydrophobicContact CB-CG 4.45Å; F867-A890 HydrophobicContact CD2-CB 3.68Å; F867-A890 HydrophobicContact CE2-CB 3.96Å |
| 868 | L | 82.7 | Confident | 62 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 176.9 | -176.5 | 69.9 | 0 | 0 | 0 | 112.7 | V21 Y25 T452 I455 I456 Q866 L871 Y887 | V21-L868 HydrophobicContact CG2-CD1 3.71Å; Y25-L868 HydrophobicContact CE2-CD1 4.47Å; Y25-L868 PolarHBondContact OH-O 3.2Å; T452-L868 HydrophobicContact CG2-CD2 4.32Å; I455-L868 HydrophobicContact CG2-CD1 4.17Å; I455-L868 HydrophobicContact CG2-CD2 3.75Å; I456-L868 HydrophobicContact CD1-CD2 4.49Å; I456-L868 HydrophobicContact CG1-CD2 3.83Å; Q866-L868 PolarHBondContact O-N 3.17Å; L868-L871 HydrophobicContact CD1-CD1 3.94Å; L868-L871 WeakPolarHBondContact O-CD1 3.42Å; L868-Y887 HydrophobicContact CB-CE2 4.33Å; L868-Y887 HydrophobicContact CD1-CE2 4.3Å |
| 869 | F | 81.7 | Confident | 63.6 | Low | 99 Ų | 99 | 65.2 Ų | 65.2 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -82.5 | -17.7 | 177.6 | -73.7 | -69 | 0 | 0 | 0 | 113.5 | T452 I456 Q866 F867 | T452-F869 HydrophobicContact CG2-CE1 4.1Å; T452-F869 HydrophobicContact CG2-CZ 4.49Å; I456-F869 HydrophobicContact CD1-CE1 4.25Å; I456-F869 HydrophobicContact CD1-CE2 3.75Å; I456-F869 HydrophobicContact CD1-CZ 3.32Å; I456-F869 HydrophobicContact CG1-CZ 4.49Å; Q866-F869 PolarHBondContact O-N 3.15Å; Q866-F869 VanDerWaalsContact O-N 3.1Å; F867-F869 VanDerWaalsContact C-N 3.33Å; F867-F869 PolarHBondContact O-N 3.25Å |
| 870 | L | 83 | Confident | 65.5 | Low | 54 Ų | 54 | 58.3 Ų | 58.3 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -91.6 | -3.2 | 176.3 | -64 | 171.8 | 0 | 0 | 0 | 112.7 | F557 Q865 Q866 F867 K872 S883 | F557-L870 HydrophobicContact CE1-CD1 4.36Å; F557-L870 HydrophobicContact CE2-CD1 3.85Å; F557-L870 HydrophobicContact CZ-CD1 3.41Å; F557-L870 VanDerWaalsContact CZ-CD1 3.41Å; Q865-L870 HydrophobicContact CB-CD1 3.87Å; Q865-L870 HydrophobicContact CG-CD1 4.22Å; Q866-L870 WeakPolarHBondContact O-CB 3.44Å; Q866-L870 WeakPolarHBondContact O-CG 3.49Å; Q866-L870 PolarHBondContact O-N 2.69Å; F867-L870 CarbonylContact O-C 3.54Å; F867-L870 PolarHBondContact O-N 3.28Å; F867-L870 VanDerWaalsContact O-N 3.1Å; L870-K872 PolarHBondContact O-N 2.99Å; L870-S883 VanDerWaalsContact O-CB 3.29Å; L870-S883 WeakPolarHBondContact O-CB 3.34Å |
| 871 | L | 85.8 | Confident | 67.4 | Low | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | -55.8 | 122.1 | 168.6 | -74.7 | 166.5 | 0 | 0 | 0 | 109.6 | V21 Y25 Y26 F867 L868 I884 Y887 | V21-L871 HydrophobicContact CB-CD1 4.14Å; V21-L871 HydrophobicContact CG1-CD1 3.36Å; V21-L871 HydrophobicContact CG1-CD2 3.98Å; V21-L871 HydrophobicContact CG1-CG 4.31Å; V21-L871 HydrophobicContact CG2-CD1 3.68Å; Y25-L871 HydrophobicContact CD1-CB 3.93Å; Y25-L871 HydrophobicContact CD2-CD1 3.86Å; Y25-L871 HydrophobicContact CE1-CB 3.9Å; Y25-L871 HydrophobicContact CE2-CD1 3.86Å; Y25-L871 HydrophobicContact CG-CB 4.25Å; Y25-L871 HydrophobicContact CG-CD1 4.3Å; Y26-L871 HydrophobicContact CE2-CD2 4.4Å; Y26-L871 WeakPolarHBondContact OH-CD2 3.31Å; F867-L871 WeakPolarHBondContact O-CG 3.14Å; F867-L871 PolarHBondContact O-N 3.34Å; L868-L871 HydrophobicContact CD1-CD1 3.94Å; L868-L871 WeakPolarHBondContact O-CD1 3.42Å; L871-I884 HydrophobicContact CD2-CG1 4.33Å; L871-Y887 HydrophobicContact CD2-CG 4.44Å | ||
| 872 | K | 84.3 | Confident | 69.5 | Low | 79 Ų | 79 | 48 Ų | 48 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | trans | -100.3 | 135.8 | 175.6 | -70.9 | 176.9 | 174.6 | -179.3 | 0 | 108.7 | Y26 L870 E879 I880 S883 | Y26-K872 WeakPolarHBondContact CE1-O 3.43Å; Y26-K872 PolarHBondContact OH-O 2.87Å; L870-K872 PolarHBondContact O-N 2.99Å; K872-E879 HydrophobicContact CD-CB 3.75Å; K872-E879 HydrophobicContact CD-CG 4.39Å; K872-E879 VanDerWaalsContact NZ-CD 3.32Å; K872-E879 IonicContact NZ-OE1 2.88Å; K872-E879 PolarHBondContact NZ-OE1 3.43Å; K872-I880 HydrophobicContact CB-CG1 4.16Å; K872-I880 WeakPolarHBondContact O-CG1 3.3Å; K872-I880 WeakPolarHBondContact O-CG2 3.34Å; K872-S883 PolarHBondContact N-OG 2.9Å | ||
| 873 | D | 83.7 | Confident | 71.9 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -116.3 | 0.7 | 168 | 65 | -31.8 | 0 | 0 | 0 | 111.9 | Y25 Q445 R448 | Y25-D873 WeakPolarHBondContact O-CB 3.42Å; Q445-D873 PolarHBondContact NE2-OD2 2.96Å; R448-D873 IonicContact CZ-OD2 2.66Å; R448-D873 VanDerWaalsContact NH1-CG 3.29Å; R448-D873 IonicContact NH1-OD1 3.73Å; R448-D873 PolarHBondContact NH1-OD1 2.94Å; R448-D873 IonicContact NH1-OD2 2.81Å; R448-D873 PolarHBondContact NH1-OD2 3.08Å; R448-D873 IonicContact NH2-OD2 3.34Å; R448-D873 PolarHBondContact NH2-OD2 2.6Å |
| 874 | T | 78.4 | Confident | 74.3 | Confident | 85 Ų | 85 | 38.1 Ų | 38.1 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -138.7 | 151.3 | 175.6 | 61.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 875 | G | 73.4 | Confident | 76.2 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 107.8 | -155.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V91 E879 | V91-G875 VanDerWaalsContact CG2-C 3.46Å; V91-G875 WeakPolarHBondContact CG2-O 3.49Å; G875-E879 WeakPolarHBondContact CA-OE2 3.33Å |
| 876 | S | 65.8 | Low | 78 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | trans | -75.9 | 152.6 | -178.4 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | V91 L878 E879 I880 | V91-S876 VanDerWaalsContact CG2-N 3.26Å; S876-L878 PolarHBondContact O-N 3.04Å; S876-L878 PolarHBondContact OG-N 3.34Å; S876-E879 PolarHBondContact N-OE2 3.45Å; S876-E879 CarbonylContact O-C 3.56Å; S876-E879 WeakPolarHBondContact O-CB 3.43Å; S876-E879 PolarHBondContact O-N 3.47Å; S876-E879 VanDerWaalsContact O-N 3.1Å; S876-E879 VanDerWaalsContact OG-CB 3.28Å; S876-E879 WeakPolarHBondContact OG-CB 3.38Å; S876-E879 WeakPolarHBondContact OG-CG 3.29Å; S876-E879 PolarHBondContact OG-N 2.97Å; S876-I880 WeakPolarHBondContact O-CB 3.32Å; S876-I880 WeakPolarHBondContact O-CG1 3.42Å; S876-I880 PolarHBondContact O-N 3.37Å | ||
| 877 | W | 68.9 | Low | 78.7 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 13% | 0.129 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.3 | -25 | 167.2 | -75.3 | 20.1 | 0 | 0 | 0 | 112.5 | P92 P97 E108 W117 E879 G881 | P92-W877 HydrophobicContact CB-CB 3.79Å; P92-W877 HydrophobicContact CB-CD2 3.89Å; P92-W877 HydrophobicContact CB-CE3 4.05Å; P92-W877 HydrophobicContact CB-CG 3.75Å; P92-W877 VanDerWaalsContact CD-CE2 3.42Å; P92-W877 VanDerWaalsContact CD-NE1 3.29Å; P92-W877 HydrophobicContact CG-CB 4.17Å; P92-W877 HydrophobicContact CG-CD2 3.34Å; P92-W877 HydrophobicContact CG-CE3 3.65Å; P92-W877 HydrophobicContact CG-CG 3.56Å; P92-W877 HydrophobicContact CG-CH2 3.88Å; P92-W877 HydrophobicContact CG-CZ2 3.65Å; P92-W877 HydrophobicContact CG-CZ3 3.87Å; P97-W877 HydrophobicContact CG-CH2 3.67Å; P97-W877 HydrophobicContact CG-CZ2 3.72Å; E108-W877 HydrophobicContact CB-CZ2 3.78Å; E108-W877 HydrophobicContact CG-CH2 4.31Å; E108-W877 HydrophobicContact CG-CZ2 3.64Å; W117-W877 HydrophobicContact CB-CE3 3.98Å; W117-W877 HydrophobicContact CB-CH2 3.55Å; W117-W877 HydrophobicContact CB-CZ3 3.13Å; W117-W877 AromaticContact CD1-CE3 3.79Å; W117-W877 AromaticContact CD1-CZ3 3.83Å; W117-W877 AromaticContact CD2-CD2 3.68Å; W117-W877 HydrophobicContact CD2-CD2 3.68Å; W117-W877 AromaticContact CD2-CE2 3.89Å; W117-W877 AromaticContact CD2-CE3 3.26Å; W117-W877 HydrophobicContact CD2-CE3 3.26Å; W117-W877 AromaticContact CD2-CH2 3.51Å; W117-W877 HydrophobicContact CD2-CH2 3.51Å; W117-W877 AromaticContact CD2-CZ2 3.85Å; W117-W877 HydrophobicContact CD2-CZ2 3.85Å; W117-W877 AromaticContact CD2-CZ3 3.2Å; W117-W877 HydrophobicContact CD2-CZ3 3.2Å; W117-W877 AromaticContact CE2-CD2 3.74Å; W117-W877 AromaticContact CE2-CE3 3.51Å; W117-W877 AromaticContact CE2-CZ3 3.97Å; W117-W877 AromaticContact CE3-CD2 3.67Å; W117-W877 HydrophobicContact CE3-CD2 3.67Å; W117-W877 AromaticContact CE3-CE2 3.35Å; W117-W877 AromaticContact CE3-CE3 3.65Å; W117-W877 HydrophobicContact CE3-CE3 3.65Å; W117-W877 AromaticContact CE3-CH2 3.17Å; W117-W877 HydrophobicContact CE3-CH2 3.17Å; W117-W877 AromaticContact CE3-CZ2 3.14Å; W117-W877 HydrophobicContact CE3-CZ2 3.14Å; W117-W877 AromaticContact CE3-CZ3 3.44Å; W117-W877 HydrophobicContact CE3-CZ3 3.44Å; W117-W877 VanDerWaalsContact CE3-CZ3 3.44Å; W117-W877 HydrophobicContact CG-CD2 4.34Å; W117-W877 AromaticContact CG-CE3 3.45Å; W117-W877 HydrophobicContact CG-CE3 3.45Å; W117-W877 VanDerWaalsContact CG-CE3 3.45Å; W117-W877 AromaticContact CG-CH2 3.72Å; W117-W877 HydrophobicContact CG-CH2 3.72Å; W117-W877 AromaticContact CG-CZ3 3.11Å; W117-W877 HydrophobicContact CG-CZ3 3.11Å; W117-W877 AromaticContact CH2-CD2 3.8Å; W117-W877 HydrophobicContact CH2-CD2 3.8Å; W117-W877 AromaticContact CH2-CE2 3.69Å; W117-W877 HydrophobicContact CH2-CE3 4.38Å; W117-W877 HydrophobicContact CH2-CG 4.19Å; W117-W877 HydrophobicContact CH2-CZ2 4.3Å; W117-W877 AromaticContact CH2-NE1 3.76Å; W117-W877 AromaticContact CZ2-CD2 3.81Å; W117-W877 HydrophobicContact CZ2-CD2 3.81Å; W117-W877 HydrophobicContact CZ2-CE3 4.07Å; W117-W877 HydrophobicContact CZ2-CG 4.18Å; W117-W877 AromaticContact CZ3-CD2 3.74Å; W117-W877 HydrophobicContact CZ3-CD2 3.74Å; W117-W877 AromaticContact CZ3-CE2 3.25Å; W117-W877 HydrophobicContact CZ3-CE3 4.2Å; W117-W877 AromaticContact CZ3-CH2 3.97Å; W117-W877 HydrophobicContact CZ3-CH2 3.97Å; W117-W877 AromaticContact CZ3-CZ2 3.42Å; W117-W877 HydrophobicContact CZ3-CZ2 3.42Å; W117-W877 VanDerWaalsContact CZ3-CZ2 3.42Å; W117-W877 HydrophobicContact CZ3-CZ3 4.33Å; W117-W877 AromaticContact CZ3-NE1 3.61Å; W117-W877 AromaticContact NE1-CE3 3.83Å; W877-E879 VanDerWaalsContact C-N 3.33Å; W877-G881 VanDerWaalsContact O-CA 3.25Å; W877-G881 WeakPolarHBondContact O-CA 3.37Å; W877-G881 PolarHBondContact O-N 3.22Å |
| 878 | L | 67.9 | Low | 79 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 166.8 | 178.9 | 63 | 0 | 0 | 0 | 109.3 | A291 S876 G881 E882 | A291-L878 HydrophobicContact CB-CD2 3.87Å; S876-L878 PolarHBondContact O-N 3.04Å; S876-L878 PolarHBondContact OG-N 3.34Å; L878-G881 PolarHBondContact O-N 3.41Å; L878-E882 HydrophobicContact CD1-CG 4.1Å; L878-E882 HydrophobicContact CG-CG 4.34Å; L878-E882 WeakPolarHBondContact CG-OE1 3.5Å; L878-E882 WeakPolarHBondContact O-CA 3.44Å; L878-E882 WeakPolarHBondContact O-CB 3.45Å; L878-E882 WeakPolarHBondContact O-CG 3.18Å; L878-E882 PolarHBondContact O-N 3.21Å |
| 879 | E | 74.2 | Confident | 78.8 | Confident | 69 Ų | 69 | 37 Ų | 37 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 178.7 | -77.4 | 178.3 | 124.2 | 0 | 0 | 113.4 | K872 G875 S876 W877 S883 | K872-E879 HydrophobicContact CD-CB 3.75Å; K872-E879 HydrophobicContact CD-CG 4.39Å; K872-E879 VanDerWaalsContact NZ-CD 3.32Å; K872-E879 IonicContact NZ-OE1 2.88Å; K872-E879 PolarHBondContact NZ-OE1 3.43Å; G875-E879 WeakPolarHBondContact CA-OE2 3.33Å; S876-E879 PolarHBondContact N-OE2 3.45Å; S876-E879 CarbonylContact O-C 3.56Å; S876-E879 WeakPolarHBondContact O-CB 3.43Å; S876-E879 PolarHBondContact O-N 3.47Å; S876-E879 VanDerWaalsContact O-N 3.1Å; S876-E879 VanDerWaalsContact OG-CB 3.28Å; S876-E879 WeakPolarHBondContact OG-CB 3.38Å; S876-E879 WeakPolarHBondContact OG-CG 3.29Å; S876-E879 PolarHBondContact OG-N 2.97Å; W877-E879 VanDerWaalsContact C-N 3.33Å; E879-S883 VanDerWaalsContact O-CB 3.28Å; E879-S883 WeakPolarHBondContact O-CB 3.45Å; E879-S883 PolarHBondContact O-N 3.12Å; E879-S883 PolarHBondContact O-OG 3.28Å |
| 880 | I | 78.2 | Confident | 78.7 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -52.2 | 175.7 | -66.8 | 165.9 | 0 | 0 | 0 | 108.2 | Y26 V110 K872 S876 E882 S883 I884 | Y26-I880 HydrophobicContact CE1-CG2 3.75Å; V110-I880 HydrophobicContact CG2-CD1 4.38Å; K872-I880 HydrophobicContact CB-CG1 4.16Å; K872-I880 WeakPolarHBondContact O-CG1 3.3Å; K872-I880 WeakPolarHBondContact O-CG2 3.34Å; S876-I880 WeakPolarHBondContact O-CB 3.32Å; S876-I880 WeakPolarHBondContact O-CG1 3.42Å; S876-I880 PolarHBondContact O-N 3.37Å; I880-E882 PolarHBondContact O-N 3.26Å; I880-S883 PolarHBondContact O-N 2.96Å; I880-S883 VanDerWaalsContact O-N 3.15Å; I880-S883 PolarHBondContact O-OG 3.16Å; I880-I884 HydrophobicContact CG2-CD1 3.83Å; I880-I884 HydrophobicContact CG2-CG1 4.46Å; I880-I884 VanDerWaalsContact O-CG1 3.26Å; I880-I884 WeakPolarHBondContact O-CG1 3.32Å; I880-I884 PolarHBondContact O-N 3.25Å |
| 881 | G | 76.6 | Confident | 78.5 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | W877 L878 S885 | W877-G881 VanDerWaalsContact O-CA 3.25Å; W877-G881 WeakPolarHBondContact O-CA 3.37Å; W877-G881 PolarHBondContact O-N 3.22Å; L878-G881 PolarHBondContact O-N 3.41Å; G881-S885 WeakPolarHBondContact O-CA 3.29Å; G881-S885 WeakPolarHBondContact O-CB 3.28Å; G881-S885 PolarHBondContact O-N 2.93Å; G881-S885 PolarHBondContact O-OG 3.27Å |
| 882 | E | 77.1 | Confident | 78.1 | Confident | 52 Ų | 52 | 32.3 Ų | 32.3 | 24% | 0.243 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 171.3 | -84.9 | 174.1 | -177.9 | 0 | 0 | 110.2 | A779 L878 I880 I884 S885 H886 | A779-E882 HydrophobicContact CB-CG 3.37Å; A779-E882 VanDerWaalsContact CB-OE1 3.26Å; A779-E882 WeakPolarHBondContact CB-OE1 3.36Å; A779-E882 WeakPolarHBondContact O-CG 3.48Å; L878-E882 HydrophobicContact CD1-CG 4.1Å; L878-E882 HydrophobicContact CG-CG 4.34Å; L878-E882 WeakPolarHBondContact CG-OE1 3.5Å; L878-E882 WeakPolarHBondContact O-CA 3.44Å; L878-E882 WeakPolarHBondContact O-CB 3.45Å; L878-E882 WeakPolarHBondContact O-CG 3.18Å; L878-E882 PolarHBondContact O-N 3.21Å; I880-E882 PolarHBondContact O-N 3.26Å; E882-I884 VanDerWaalsContact C-N 3.32Å; E882-I884 PolarHBondContact O-N 3.24Å; E882-S885 PolarHBondContact O-N 3.03Å; E882-S885 VanDerWaalsContact O-N 3.16Å; E882-H886 WeakPolarHBondContact O-CB 3.41Å; E882-H886 PolarHBondContact O-CD2 2.95Å; E882-H886 VanDerWaalsContact O-CD2 3.3Å; E882-H886 PolarHBondContact O-N 3.26Å; E882-H886 PolarHBondContact O-ND1 3.42Å |
| 883 | S | 83.8 | Confident | 77.9 | Confident | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | -179.8 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | L870 K872 E879 I880 Y887 | L870-S883 VanDerWaalsContact O-CB 3.29Å; L870-S883 WeakPolarHBondContact O-CB 3.34Å; K872-S883 PolarHBondContact N-OG 2.9Å; E879-S883 VanDerWaalsContact O-CB 3.28Å; E879-S883 WeakPolarHBondContact O-CB 3.45Å; E879-S883 PolarHBondContact O-N 3.12Å; E879-S883 PolarHBondContact O-OG 3.28Å; I880-S883 PolarHBondContact O-N 2.96Å; I880-S883 VanDerWaalsContact O-N 3.15Å; I880-S883 PolarHBondContact O-OG 3.16Å; S883-Y887 WeakPolarHBondContact O-CB 3.32Å; S883-Y887 PolarHBondContact O-N 3.45Å; S883-Y887 VanDerWaalsContact O-N 3.14Å |
| 884 | I | 82.4 | Confident | 77.4 | Confident | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 172.6 | -65.7 | 170.4 | 0 | 0 | 0 | 109.6 | Y26 V113 L871 I880 E882 H886 Y887 F888 | Y26-I884 HydrophobicContact CD2-CD1 4.23Å; Y26-I884 HydrophobicContact CE1-CD1 4.02Å; Y26-I884 HydrophobicContact CE1-CG1 4.38Å; Y26-I884 HydrophobicContact CE2-CD1 3.59Å; Y26-I884 HydrophobicContact CE2-CG1 3.53Å; Y26-I884 VanDerWaalsContact CZ-CD1 3.47Å; Y26-I884 VanDerWaalsContact CZ-CG1 3.42Å; Y26-I884 WeakPolarHBondContact OH-CG1 3.24Å; V113-I884 HydrophobicContact CG2-CD1 3.84Å; L871-I884 HydrophobicContact CD2-CG1 4.33Å; I880-I884 HydrophobicContact CG2-CD1 3.83Å; I880-I884 HydrophobicContact CG2-CG1 4.46Å; I880-I884 VanDerWaalsContact O-CG1 3.26Å; I880-I884 WeakPolarHBondContact O-CG1 3.32Å; I880-I884 PolarHBondContact O-N 3.25Å; E882-I884 VanDerWaalsContact C-N 3.32Å; E882-I884 PolarHBondContact O-N 3.24Å; I884-H886 VanDerWaalsContact C-N 3.33Å; I884-H886 PolarHBondContact O-N 3.04Å; I884-Y887 WeakPolarHBondContact O-CB 3.34Å; I884-Y887 PolarHBondContact O-N 3.3Å; I884-F888 HydrophobicContact CG2-CD2 3.55Å; I884-F888 HydrophobicContact CG2-CE2 3.72Å; I884-F888 HydrophobicContact CG2-CG 4.44Å; I884-F888 WeakPolarHBondContact O-CB 3.35Å; I884-F888 WeakPolarHBondContact O-CD2 3.36Å; I884-F888 PolarHBondContact O-N 3.43Å |
| 885 | S | 80.8 | Confident | 77.4 | Confident | 33 Ų | 33 | 26.6 Ų | 26.6 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | G881 E882 Y887 F888 I889 | G881-S885 WeakPolarHBondContact O-CA 3.29Å; G881-S885 WeakPolarHBondContact O-CB 3.28Å; G881-S885 PolarHBondContact O-N 2.93Å; G881-S885 PolarHBondContact O-OG 3.27Å; E882-S885 PolarHBondContact O-N 3.03Å; E882-S885 VanDerWaalsContact O-N 3.16Å; S885-Y887 PolarHBondContact O-N 3.4Å; S885-F888 PolarHBondContact O-N 3.49Å; S885-I889 VanDerWaalsContact O-CB 3.3Å; S885-I889 WeakPolarHBondContact O-CB 3.36Å; S885-I889 VanDerWaalsContact O-CD1 3.28Å; S885-I889 WeakPolarHBondContact O-CD1 3.38Å; S885-I889 WeakPolarHBondContact O-CG1 3.47Å; S885-I889 PolarHBondContact O-N 3.48Å |
| 886 | H | 83.2 | Confident | 77.8 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.8 | -60.5 | 168.3 | 0 | 0 | 0 | 112 | F556 F867 E882 I884 I889 A890 | F556-H886 HydrophobicContact CD1-CB 4.09Å; F556-H886 AromaticContact CD1-CD2 3.4Å; F556-H886 VanDerWaalsContact CD1-CD2 3.4Å; F556-H886 WeakPolarHBondContact CD1-CD2 3.43Å; F556-H886 AromaticContact CD1-CG 3.75Å; F556-H886 AromaticContact CD1-NE2 3.91Å; F556-H886 HydrophobicContact CE1-CB 4.36Å; F867-H886 HydrophobicContact CD1-CB 3.26Å; F867-H886 HydrophobicContact CD2-CB 4.46Å; F867-H886 HydrophobicContact CE1-CB 3.31Å; F867-H886 AromaticContact CE1-CG 3.86Å; F867-H886 AromaticContact CE1-ND1 3.91Å; F867-H886 HydrophobicContact CE2-CB 4.45Å; F867-H886 HydrophobicContact CG-CB 3.92Å; F867-H886 HydrophobicContact CZ-CB 3.93Å; E882-H886 WeakPolarHBondContact O-CB 3.41Å; E882-H886 PolarHBondContact O-CD2 2.95Å; E882-H886 VanDerWaalsContact O-CD2 3.3Å; E882-H886 PolarHBondContact O-N 3.26Å; E882-H886 PolarHBondContact O-ND1 3.42Å; I884-H886 VanDerWaalsContact C-N 3.33Å; I884-H886 PolarHBondContact O-N 3.04Å; H886-I889 PolarHBondContact O-N 3.48Å; H886-A890 WeakPolarHBondContact O-CB 3.31Å; H886-A890 PolarHBondContact O-N 2.98Å |
| 887 | Y | 83.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.4 | -179.7 | -101.9 | 0 | 0 | 0 | 111.9 | L17 L18 V21 F867 L868 L871 S883 I884 S885 A890 M891 | L17-Y887 PolarHBondContact O-OH 2.95Å; L18-Y887 HydrophobicContact CD1-CE1 4.2Å; V21-Y887 HydrophobicContact CB-CE1 4.17Å; V21-Y887 HydrophobicContact CG2-CD1 4.16Å; V21-Y887 HydrophobicContact CG2-CE1 3.51Å; V21-Y887 HydrophobicContact CG2-CE2 4.22Å; F867-Y887 HydrophobicContact CB-CD2 3.98Å; F867-Y887 HydrophobicContact CB-CG 4.45Å; L868-Y887 HydrophobicContact CB-CE2 4.33Å; L868-Y887 HydrophobicContact CD1-CE2 4.3Å; L871-Y887 HydrophobicContact CD2-CG 4.44Å; S883-Y887 WeakPolarHBondContact O-CB 3.32Å; S883-Y887 PolarHBondContact O-N 3.45Å; S883-Y887 VanDerWaalsContact O-N 3.14Å; I884-Y887 WeakPolarHBondContact O-CB 3.34Å; I884-Y887 PolarHBondContact O-N 3.3Å; S885-Y887 PolarHBondContact O-N 3.4Å; Y887-A890 PolarHBondContact O-N 3.01Å; Y887-M891 HydrophobicContact CD1-CG 4.44Å; Y887-M891 HydrophobicContact CE1-CG 4.04Å; Y887-M891 HydrophobicContact CE2-CG 4.15Å; Y887-M891 WeakPolarHBondContact O-CB 3.34Å; Y887-M891 VanDerWaalsContact O-CG 3.31Å; Y887-M891 WeakPolarHBondContact O-CG 3.4Å; Y887-M891 PolarHBondContact O-N 3.17Å |
| 888 | F | 82.7 | Confident | 79.2 | Confident | 56 Ų | 56 | 27.3 Ų | 27.3 | 25% | 0.246 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 178.6 | -96 | -109.5 | 0 | 0 | 0 | 112.4 | L18 F22 I884 S885 M891 T892 | L18-F888 HydrophobicContact CD1-CD1 3.85Å; L18-F888 HydrophobicContact CD1-CD2 3.94Å; L18-F888 HydrophobicContact CD1-CE1 3.75Å; L18-F888 HydrophobicContact CD1-CE2 3.83Å; L18-F888 HydrophobicContact CD1-CG 3.95Å; L18-F888 HydrophobicContact CD1-CZ 3.73Å; L18-F888 HydrophobicContact CD2-CD1 4.35Å; L18-F888 HydrophobicContact CD2-CE1 3.64Å; L18-F888 HydrophobicContact CD2-CZ 3.85Å; L18-F888 HydrophobicContact CG-CD1 4.47Å; L18-F888 HydrophobicContact CG-CE1 3.88Å; L18-F888 HydrophobicContact CG-CE2 4.11Å; L18-F888 HydrophobicContact CG-CZ 3.67Å; F22-F888 AromaticContact CE2-CE2 3.65Å; F22-F888 HydrophobicContact CE2-CE2 3.65Å; F22-F888 AromaticContact CE2-CZ 3.48Å; F22-F888 HydrophobicContact CE2-CZ 3.48Å; F22-F888 VanDerWaalsContact CE2-CZ 3.48Å; F22-F888 AromaticContact CZ-CE2 3.55Å; F22-F888 HydrophobicContact CZ-CE2 3.55Å; F22-F888 AromaticContact CZ-CZ 3.46Å; F22-F888 HydrophobicContact CZ-CZ 3.46Å; F22-F888 VanDerWaalsContact CZ-CZ 3.46Å; I884-F888 HydrophobicContact CG2-CD2 3.55Å; I884-F888 HydrophobicContact CG2-CE2 3.72Å; I884-F888 HydrophobicContact CG2-CG 4.44Å; I884-F888 WeakPolarHBondContact O-CB 3.35Å; I884-F888 WeakPolarHBondContact O-CD2 3.36Å; I884-F888 PolarHBondContact O-N 3.43Å; S885-F888 PolarHBondContact O-N 3.49Å; F888-M891 PolarHBondContact O-N 2.99Å; F888-T892 VanDerWaalsContact O-CB 3.27Å; F888-T892 WeakPolarHBondContact O-CB 3.23Å; F888-T892 VanDerWaalsContact O-CG2 3.31Å; F888-T892 WeakPolarHBondContact O-CG2 3.34Å; F888-T892 PolarHBondContact O-N 3.07Å; F888-T892 PolarHBondContact O-OG1 2.85Å |
| 889 | I | 80.1 | Confident | 79.9 | Confident | 28 Ų | 28 | 31 Ų | 31 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.5 | -70.1 | 157.7 | 0 | 0 | 0 | 108.7 | F556 F772 S885 H886 M891 T892 M893 | F556-I889 HydrophobicContact CE1-CB 4.19Å; F556-I889 HydrophobicContact CE1-CD1 4.21Å; F556-I889 HydrophobicContact CE1-CG2 3.92Å; F556-I889 HydrophobicContact CZ-CB 4.42Å; F556-I889 HydrophobicContact CZ-CG2 3.86Å; F772-I889 HydrophobicContact CE1-CD1 4.15Å; F772-I889 HydrophobicContact CE2-CD1 4.39Å; F772-I889 HydrophobicContact CZ-CD1 3.52Å; F772-I889 HydrophobicContact CZ-CG1 4.2Å; F772-I889 HydrophobicContact CZ-CG2 4.33Å; S885-I889 VanDerWaalsContact O-CB 3.3Å; S885-I889 WeakPolarHBondContact O-CB 3.36Å; S885-I889 VanDerWaalsContact O-CD1 3.28Å; S885-I889 WeakPolarHBondContact O-CD1 3.38Å; S885-I889 WeakPolarHBondContact O-CG1 3.47Å; S885-I889 PolarHBondContact O-N 3.48Å; H886-I889 PolarHBondContact O-N 3.48Å; I889-M891 VanDerWaalsContact C-N 3.34Å; I889-M891 PolarHBondContact O-N 3.04Å; I889-T892 PolarHBondContact O-N 3.17Å; I889-M893 WeakPolarHBondContact O-CA 3.25Å; I889-M893 WeakPolarHBondContact O-CB 3.39Å; I889-M893 PolarHBondContact O-N 3.48Å |
| 890 | A | 78.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F867 H886 Y887 | F867-A890 HydrophobicContact CD2-CB 3.68Å; F867-A890 HydrophobicContact CE2-CB 3.96Å; H886-A890 WeakPolarHBondContact O-CB 3.31Å; H886-A890 PolarHBondContact O-N 2.98Å; Y887-A890 PolarHBondContact O-N 3.01Å |
| 891 | M | 78.5 | Confident | 80.9 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.9 | -37.3 | -179.1 | -70.9 | -60.3 | -68.1 | 0 | 0 | 114.1 | H14 L17 L18 F459 A846 Y887 F888 I889 | H14-M891 HydrophobicContact CB-CE 4.06Å; H14-M891 VanDerWaalsContact CD2-CE 3.49Å; H14-M891 WeakPolarHBondContact CD2-CE 3.22Å; L17-M891 HydrophobicContact CB-CE 4.23Å; L18-M891 HydrophobicContact CD1-CB 4.13Å; F459-M891 HydrophobicContact CE1-CE 3.7Å; F459-M891 HydrophobicContact CE1-SD 3.57Å; F459-M891 VanDerWaalsContact CE1-SD 3.57Å; F459-M891 HydrophobicContact CZ-CE 3.77Å; F459-M891 HydrophobicContact CZ-SD 3.59Å; F459-M891 VanDerWaalsContact CZ-SD 3.59Å; A846-M891 HydrophobicContact CB-SD 3.89Å; Y887-M891 HydrophobicContact CD1-CG 4.44Å; Y887-M891 HydrophobicContact CE1-CG 4.04Å; Y887-M891 HydrophobicContact CE2-CG 4.15Å; Y887-M891 WeakPolarHBondContact O-CB 3.34Å; Y887-M891 VanDerWaalsContact O-CG 3.31Å; Y887-M891 WeakPolarHBondContact O-CG 3.4Å; Y887-M891 PolarHBondContact O-N 3.17Å; F888-M891 PolarHBondContact O-N 2.99Å; I889-M891 VanDerWaalsContact C-N 3.34Å; I889-M891 PolarHBondContact O-N 3.04Å |
| 892 | T | 78.9 | Confident | 81.3 | Confident | 55 Ų | 55 | 33.8 Ų | 33.8 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -95.5 | -21.2 | -173 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | F888 I889 V894 A895 V896 | F888-T892 VanDerWaalsContact O-CB 3.27Å; F888-T892 WeakPolarHBondContact O-CB 3.23Å; F888-T892 VanDerWaalsContact O-CG2 3.31Å; F888-T892 WeakPolarHBondContact O-CG2 3.34Å; F888-T892 PolarHBondContact O-N 3.07Å; F888-T892 PolarHBondContact O-OG1 2.85Å; I889-T892 PolarHBondContact O-N 3.17Å; T892-V894 PolarHBondContact O-N 3.31Å; T892-A895 PolarHBondContact O-N 2.9Å; T892-V896 WeakPolarHBondContact O-CG2 3.35Å; T892-V896 PolarHBondContact O-N 3.39Å |
| 893 | M | 78.5 | Confident | 81.8 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.4 | -42.7 | 178.9 | 177.7 | -175.3 | 73.8 | 0 | 0 | 110.9 | I765 L768 F769 I889 A895 V896 V897 | I765-M893 HydrophobicContact CG2-CE 4.48Å; L768-M893 HydrophobicContact CD1-SD 4.32Å; F769-M893 HydrophobicContact CD2-SD 4.2Å; F769-M893 HydrophobicContact CE2-CE 3.88Å; F769-M893 HydrophobicContact CE2-SD 3.67Å; I889-M893 WeakPolarHBondContact O-CA 3.25Å; I889-M893 WeakPolarHBondContact O-CB 3.39Å; I889-M893 PolarHBondContact O-N 3.48Å; M893-A895 PolarHBondContact O-N 2.85Å; M893-V896 PolarHBondContact O-N 3.08Å; M893-V897 HydrophobicContact CG-CG2 4.18Å; M893-V897 VanDerWaalsContact O-CB 3.32Å; M893-V897 WeakPolarHBondContact O-CB 3.48Å; M893-V897 WeakPolarHBondContact O-CG2 3.37Å; M893-V897 PolarHBondContact O-N 3.39Å |
| 894 | V | 74.4 | Confident | 82 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | V838 V839 T892 V897 M898 | V838-V894 HydrophobicContact CG1-CG2 4.43Å; V839-V894 HydrophobicContact CB-CG1 4.16Å; V839-V894 HydrophobicContact CG2-CG1 3.34Å; T892-V894 PolarHBondContact O-N 3.31Å; V894-V897 PolarHBondContact O-N 3.37Å; V894-M898 WeakPolarHBondContact O-CB 3.13Å; V894-M898 VanDerWaalsContact O-CG 3.24Å; V894-M898 WeakPolarHBondContact O-CG 3.35Å; V894-M898 PolarHBondContact O-N 2.67Å |
| 895 | A | 77.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 45% | 0.446 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T892 M893 M898 L899 | T892-A895 PolarHBondContact O-N 2.9Å; M893-A895 PolarHBondContact O-N 2.85Å; A895-M898 WeakPolarHBondContact O-CB 3.25Å; A895-M898 PolarHBondContact O-N 3.34Å; A895-L899 PolarHBondContact O-N 2.97Å |
| 896 | V | 82.2 | Confident | 82.5 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | F813 T892 M893 M898 L899 I900 | F813-V896 HydrophobicContact CD2-CG1 4.35Å; T892-V896 WeakPolarHBondContact O-CG2 3.35Å; T892-V896 PolarHBondContact O-N 3.39Å; M893-V896 PolarHBondContact O-N 3.08Å; V896-M898 VanDerWaalsContact C-N 3.3Å; V896-M898 PolarHBondContact O-N 3.3Å; V896-L899 PolarHBondContact O-N 3.35Å; V896-I900 HydrophobicContact CG1-CD1 3.58Å; V896-I900 HydrophobicContact CG1-CG1 4.23Å; V896-I900 WeakPolarHBondContact O-CB 3.37Å; V896-I900 VanDerWaalsContact O-CG1 3.26Å; V896-I900 WeakPolarHBondContact O-CG1 3.42Å; V896-I900 PolarHBondContact O-N 3.16Å |
| 897 | V | 83.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 176.6 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | F764 L768 M893 V894 S901 | F764-V897 HydrophobicContact CE1-CG1 3.82Å; F764-V897 HydrophobicContact CZ-CG1 3.7Å; L768-V897 HydrophobicContact CD1-CG2 3.48Å; L768-V897 VanDerWaalsContact CD1-CG2 3.48Å; L768-V897 HydrophobicContact CD2-CG2 4.12Å; L768-V897 HydrophobicContact CG-CG2 4.47Å; M893-V897 HydrophobicContact CG-CG2 4.18Å; M893-V897 VanDerWaalsContact O-CB 3.32Å; M893-V897 WeakPolarHBondContact O-CB 3.48Å; M893-V897 WeakPolarHBondContact O-CG2 3.37Å; M893-V897 PolarHBondContact O-N 3.39Å; V894-V897 PolarHBondContact O-N 3.37Å; V897-S901 WeakPolarHBondContact O-CB 3.36Å; V897-S901 PolarHBondContact O-N 3.42Å; V897-S901 PolarHBondContact O-OG 3.08Å |
| 898 | M | 80 | Confident | 83.1 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 174.6 | -74.7 | -65.1 | -68.8 | 0 | 0 | 111.5 | Y835 V894 A895 V896 S901 Y902 | Y835-M898 VanDerWaalsContact CB-SD 3.51Å; Y835-M898 HydrophobicContact CD1-SD 3.63Å; Y835-M898 HydrophobicContact CD2-CE 4.09Å; Y835-M898 HydrophobicContact CD2-SD 3.53Å; Y835-M898 VanDerWaalsContact CD2-SD 3.53Å; Y835-M898 HydrophobicContact CE1-SD 4.24Å; Y835-M898 HydrophobicContact CE2-SD 4.17Å; Y835-M898 HydrophobicContact CG-CE 4.35Å; Y835-M898 HydrophobicContact CG-SD 3.27Å; V894-M898 WeakPolarHBondContact O-CB 3.13Å; V894-M898 VanDerWaalsContact O-CG 3.24Å; V894-M898 WeakPolarHBondContact O-CG 3.35Å; V894-M898 PolarHBondContact O-N 2.67Å; A895-M898 WeakPolarHBondContact O-CB 3.25Å; A895-M898 PolarHBondContact O-N 3.34Å; V896-M898 VanDerWaalsContact C-N 3.3Å; V896-M898 PolarHBondContact O-N 3.3Å; M898-S901 WeakPolarHBondContact O-CB 3.45Å; M898-S901 PolarHBondContact O-N 3.33Å; M898-Y902 HydrophobicContact CE-CE2 4.28Å; M898-Y902 WeakPolarHBondContact O-CD2 3.27Å; M898-Y902 PolarHBondContact O-N 2.95Å; M898-Y902 VanDerWaalsContact O-N 3.07Å |
| 899 | L | 84.5 | Confident | 83.2 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 65% | 0.649 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.9 | -47.6 | 178.1 | -177 | 68.2 | 0 | 0 | 0 | 111.8 | A895 V896 S901 Y902 A903 | A895-L899 PolarHBondContact O-N 2.97Å; V896-L899 PolarHBondContact O-N 3.35Å; L899-S901 VanDerWaalsContact C-N 3.26Å; L899-S901 PolarHBondContact O-N 2.81Å; L899-Y902 WeakPolarHBondContact O-CB 3.37Å; L899-Y902 PolarHBondContact O-N 3.49Å; L899-A903 PolarHBondContact O-N 2.85Å |
| 900 | I | 88.3 | Confident | 83.5 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 176.2 | -68.3 | 171.9 | 0 | 0 | 0 | 110 | V810 F813 M814 C817 V896 Y902 A903 V904 | V810-I900 HydrophobicContact CG1-CD1 3.99Å; V810-I900 HydrophobicContact CG1-CG1 4.34Å; V810-I900 HydrophobicContact CG2-CD1 4.37Å; F813-I900 HydrophobicContact CB-CD1 3.66Å; F813-I900 HydrophobicContact CD2-CD1 4.08Å; F813-I900 HydrophobicContact CG-CD1 4.41Å; M814-I900 HydrophobicContact CB-CG2 4.44Å; M814-I900 HydrophobicContact CG-CG2 3.83Å; C817-I900 HydrophobicContact CB-CG2 3.93Å; V896-I900 HydrophobicContact CG1-CD1 3.58Å; V896-I900 HydrophobicContact CG1-CG1 4.23Å; V896-I900 WeakPolarHBondContact O-CB 3.37Å; V896-I900 VanDerWaalsContact O-CG1 3.26Å; V896-I900 WeakPolarHBondContact O-CG1 3.42Å; V896-I900 PolarHBondContact O-N 3.16Å; I900-Y902 VanDerWaalsContact C-N 3.33Å; I900-Y902 PolarHBondContact O-N 3.23Å; I900-A903 CarbonylContact O-C 3.6Å; I900-A903 WeakPolarHBondContact O-CB 3.16Å; I900-A903 PolarHBondContact O-N 3.11Å; I900-A903 VanDerWaalsContact O-N 3.15Å; I900-V904 HydrophobicContact CG2-CG2 4.03Å; I900-V904 WeakPolarHBondContact O-CB 3.49Å; I900-V904 WeakPolarHBondContact O-CG2 3.44Å; I900-V904 PolarHBondContact O-N 3.35Å |
| 901 | S | 84.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.2 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | Y835 V897 M898 L899 R905 | Y835-S901 WeakPolarHBondContact CE1-OG 3.21Å; Y835-S901 WeakPolarHBondContact OH-CB 3.35Å; Y835-S901 PolarHBondContact OH-OG 3.05Å; Y835-S901 VanDerWaalsContact OH-OG 3.1Å; V897-S901 WeakPolarHBondContact O-CB 3.36Å; V897-S901 PolarHBondContact O-N 3.42Å; V897-S901 PolarHBondContact O-OG 3.08Å; M898-S901 WeakPolarHBondContact O-CB 3.45Å; M898-S901 PolarHBondContact O-N 3.33Å; L899-S901 VanDerWaalsContact C-N 3.26Å; L899-S901 PolarHBondContact O-N 2.81Å; S901-R905 WeakPolarHBondContact O-CB 3.15Å; S901-R905 PolarHBondContact O-N 3.26Å |
| 902 | Y | 84 | Confident | 83.9 | Confident | 131 Ų | 131 | 47.6 Ų | 47.6 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 171.8 | -80.9 | -72 | 0 | 0 | 0 | 111.8 | M898 L899 I900 R905 F906 | M898-Y902 HydrophobicContact CE-CE2 4.28Å; M898-Y902 WeakPolarHBondContact O-CD2 3.27Å; M898-Y902 PolarHBondContact O-N 2.95Å; M898-Y902 VanDerWaalsContact O-N 3.07Å; L899-Y902 WeakPolarHBondContact O-CB 3.37Å; L899-Y902 PolarHBondContact O-N 3.49Å; I900-Y902 VanDerWaalsContact C-N 3.33Å; I900-Y902 PolarHBondContact O-N 3.23Å; Y902-R905 WeakPolarHBondContact O-CB 3.35Å; Y902-R905 PolarHBondContact O-N 3.35Å; Y902-F906 PolarHBondContact O-N 3Å |
| 903 | A | 87.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 52 Ų | 52 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L899 I900 F906 C907 | L899-A903 PolarHBondContact O-N 2.85Å; I900-A903 CarbonylContact O-C 3.6Å; I900-A903 WeakPolarHBondContact O-CB 3.16Å; I900-A903 PolarHBondContact O-N 3.11Å; I900-A903 VanDerWaalsContact O-N 3.15Å; A903-F906 WeakPolarHBondContact O-CB 3.5Å; A903-F906 PolarHBondContact O-N 3.37Å; A903-C907 VanDerWaalsContact O-CB 3.31Å; A903-C907 WeakPolarHBondContact O-CB 3.32Å; A903-C907 PolarHBondContact O-N 3.3Å |
| 904 | V | 89.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 175.6 | 162 | 0 | 0 | 0 | 0 | 110.9 | C817 C818 I900 F906 C907 T908 | C817-V904 HydrophobicContact CB-CB 4.38Å; C817-V904 HydrophobicContact CB-CG2 3.93Å; C818-V904 HydrophobicContact CB-CG1 4.27Å; C818-V904 WeakPolarHBondContact SG-CG1 3.04Å; I900-V904 HydrophobicContact CG2-CG2 4.03Å; I900-V904 WeakPolarHBondContact O-CB 3.49Å; I900-V904 WeakPolarHBondContact O-CG2 3.44Å; I900-V904 PolarHBondContact O-N 3.35Å; V904-F906 VanDerWaalsContact C-N 3.31Å; V904-F906 PolarHBondContact O-N 3.12Å; V904-C907 PolarHBondContact O-N 3.06Å; V904-T908 HydrophobicContact CG1-CG2 4.14Å; V904-T908 WeakPolarHBondContact O-CB 3.08Å; V904-T908 VanDerWaalsContact O-CG2 3.32Å; V904-T908 WeakPolarHBondContact O-CG2 3.47Å; V904-T908 PolarHBondContact O-N 3.29Å; V904-T908 PolarHBondContact O-OG1 3.37Å |
| 905 | R | 85.8 | Confident | 81.8 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 33% | 0.328 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56 | -49 | 172.7 | 173.3 | 167.2 | -169.8 | -161.7 | -1.6 | 111.1 | R821 S901 Y902 T908 E909 | R821-R905 VanDerWaalsContact NH1-CB 3.31Å; S901-R905 WeakPolarHBondContact O-CB 3.15Å; S901-R905 PolarHBondContact O-N 3.26Å; Y902-R905 WeakPolarHBondContact O-CB 3.35Å; Y902-R905 PolarHBondContact O-N 3.35Å; R905-T908 PolarHBondContact O-N 3.43Å; R905-T908 PolarHBondContact O-OG1 3.42Å; R905-E909 HydrophobicContact CG-CG 4.43Å; R905-E909 WeakPolarHBondContact CG-OE1 3.02Å; R905-E909 IonicContact CZ-OE1 3.48Å; R905-E909 IonicContact NE-OE1 3.4Å; R905-E909 PolarHBondContact NE-OE1 3.01Å; R905-E909 IonicContact NE-OE2 3.27Å; R905-E909 PolarHBondContact NE-OE2 3.18Å; R905-E909 IonicContact NH2-OE1 2.75Å; R905-E909 WeakPolarHBondContact O-CB 3.48Å; R905-E909 WeakPolarHBondContact O-CG 3.32Å; R905-E909 PolarHBondContact O-N 2.84Å |
| 906 | F | 88 | Confident | 80.4 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.4 | -179.3 | -100.1 | 0 | 0 | 0 | 112.3 | F680 Y902 A903 V904 N910 | F680-F906 AromaticContact CE1-CD1 3.98Å; F680-F906 HydrophobicContact CE1-CD1 3.98Å; F680-F906 AromaticContact CE1-CE1 3.74Å; F680-F906 HydrophobicContact CE1-CE1 3.74Å; F680-F906 AromaticContact CZ-CD1 4Å; F680-F906 HydrophobicContact CZ-CD1 4Å; F680-F906 AromaticContact CZ-CE1 3.89Å; F680-F906 HydrophobicContact CZ-CE1 3.89Å; Y902-F906 PolarHBondContact O-N 3Å; A903-F906 WeakPolarHBondContact O-CB 3.5Å; A903-F906 PolarHBondContact O-N 3.37Å; V904-F906 VanDerWaalsContact C-N 3.31Å; V904-F906 PolarHBondContact O-N 3.12Å; F906-N910 VanDerWaalsContact CD2-ND2 3.27Å; F906-N910 WeakPolarHBondContact CD2-ND2 3.21Å; F906-N910 WeakPolarHBondContact CE2-ND2 3.41Å; F906-N910 WeakPolarHBondContact O-CB 3.45Å; F906-N910 PolarHBondContact O-N 3.4Å; F906-N910 PolarHBondContact O-ND2 3.1Å |
| 907 | C | 89.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | F680 A903 V904 | F680-C907 HydrophobicContact CZ-CB 4.2Å; A903-C907 VanDerWaalsContact O-CB 3.31Å; A903-C907 WeakPolarHBondContact O-CB 3.32Å; A903-C907 PolarHBondContact O-N 3.3Å; V904-C907 PolarHBondContact O-N 3.06Å |
| 908 | T | 89.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -79.9 | -36.1 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | K689 I693 F740 R821 V904 R905 | K689-T908 WeakPolarHBondContact CE-O 3.33Å; K689-T908 HydrophobicContact CG-CG2 4.31Å; I693-T908 HydrophobicContact CD1-CG2 4.21Å; F740-T908 WeakPolarHBondContact CB-O 3.1Å; F740-T908 HydrophobicContact CD2-CG2 4.15Å; F740-T908 HydrophobicContact CE1-CG2 4.41Å; F740-T908 HydrophobicContact CE2-CG2 3.98Å; F740-T908 HydrophobicContact CG-CG2 4.43Å; F740-T908 HydrophobicContact CZ-CG2 4.12Å; R821-T908 PolarHBondContact NE-OG1 3Å; V904-T908 HydrophobicContact CG1-CG2 4.14Å; V904-T908 WeakPolarHBondContact O-CB 3.08Å; V904-T908 VanDerWaalsContact O-CG2 3.32Å; V904-T908 WeakPolarHBondContact O-CG2 3.47Å; V904-T908 PolarHBondContact O-N 3.29Å; V904-T908 PolarHBondContact O-OG1 3.37Å; R905-T908 PolarHBondContact O-N 3.43Å; R905-T908 PolarHBondContact O-OG1 3.42Å |
| 909 | E | 85.8 | Confident | 73.9 | Confident | 36 Ų | 36 | 89.5 Ų | 89.5 | 17% | 0.168 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -80.8 | -17.2 | -178.9 | -69.2 | 175.5 | -176.6 | 0 | 0 | 114 | R821 R905 | R821-E909 IonicContact CZ-OE1 3.63Å; R821-E909 IonicContact NH1-OE1 2.82Å; R821-E909 VanDerWaalsContact NH2-CD 3.28Å; R821-E909 IonicContact NH2-OE1 3.62Å; R821-E909 PolarHBondContact NH2-OE1 3.04Å; R905-E909 HydrophobicContact CG-CG 4.43Å; R905-E909 WeakPolarHBondContact CG-OE1 3.02Å; R905-E909 IonicContact CZ-OE1 3.48Å; R905-E909 IonicContact NE-OE1 3.4Å; R905-E909 PolarHBondContact NE-OE1 3.01Å; R905-E909 IonicContact NE-OE2 3.27Å; R905-E909 PolarHBondContact NE-OE2 3.18Å; R905-E909 IonicContact NH2-OE1 2.75Å; R905-E909 WeakPolarHBondContact O-CB 3.48Å; R905-E909 WeakPolarHBondContact O-CG 3.32Å; R905-E909 PolarHBondContact O-N 2.84Å |
| 910 | N | 86.1 | Confident | 71.9 | Confident | 47 Ų | 47 | 92.3 Ų | 92.3 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | trans | -111 | 150.4 | -174.1 | -65.4 | -64.7 | 0 | 0 | 0 | 113.1 | F680 K689 F906 | F680-N910 HydrophobicContact CD1-CB 4.39Å; F680-N910 HydrophobicContact CE1-CB 4.41Å; K689-N910 PolarHBondContact NZ-O 3.47Å; K689-N910 VanDerWaalsContact NZ-O 3.08Å; F906-N910 VanDerWaalsContact CD2-ND2 3.27Å; F906-N910 WeakPolarHBondContact CD2-ND2 3.21Å; F906-N910 WeakPolarHBondContact CE2-ND2 3.41Å; F906-N910 WeakPolarHBondContact O-CB 3.45Å; F906-N910 PolarHBondContact O-N 3.4Å; F906-N910 PolarHBondContact O-ND2 3.1Å | ||
| 911 | Q | 84.7 | Confident | 71 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 21% | 0.206 | 48% | 0.475 | C | S | . | . | trans | -147.3 | 143 | 171.8 | 60.2 | -179.1 | -9.2 | 0 | 0 | 109.1 | F680 T684 R914 | F680-Q911 CarbonylContact O-C 3.47Å; F680-Q911 WeakPolarHBondContact O-CA 3.46Å; T684-Q911 HydrophobicContact CG2-CB 4.23Å; T684-Q911 HydrophobicContact CG2-CG 4.1Å; Q911-R914 HydrophobicContact CG-CG 4.05Å | ||
| 912 | V | 80.7 | Confident | 70.3 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -72.5 | -50.4 | -178.6 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | F680 L681 R914 | F680-V912 HydrophobicContact CB-CG2 3.92Å; F680-V912 PolarHBondContact O-N 2.97Å; L681-V912 HydrophobicContact CD2-CB 4.41Å; L681-V912 HydrophobicContact CD2-CG2 4.39Å; V912-R914 PolarHBondContact O-N 3.4Å |
| 913 | F | 72.5 | Confident | 69.6 | Low | 147 Ų | 147 | 99.4 Ų | 99.4 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -89.5 | 84.1 | 177.2 | -60.4 | -68.7 | 0 | 0 | 0 | 109.3 | L681 T915 | L681-F913 HydrophobicContact CD2-CD2 4.37Å; L681-F913 HydrophobicContact CD2-CE2 3.99Å; F913-T915 PolarHBondContact O-N 2.89Å; F913-T915 VanDerWaalsContact O-N 3.08Å |
| 914 | R | 61 | Low | 68.5 | Low | 159 Ų | 159 | 102.2 Ų | 102.2 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | trans | -66.7 | 108.9 | 166.7 | -76.5 | -172.5 | 178.2 | -179.4 | 0.8 | 108.3 | Q911 V912 K916 | Q911-R914 HydrophobicContact CG-CG 4.05Å; V912-R914 PolarHBondContact O-N 3.4Å; R914-K916 PolarHBondContact O-N 3.36Å; R914-K916 VanDerWaalsContact O-N 3.12Å | ||
| 915 | T | 54.5 | Low | 67.2 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 63% | 0.632 | 53% | 0.531 | S | S | * | . | trans | -57.3 | 117.4 | 162.5 | 41.7 | 0 | 0 | 0 | 0 | 107.5 | F913 H917 | F913-T915 PolarHBondContact O-N 2.89Å; F913-T915 VanDerWaalsContact O-N 3.08Å; T915-H917 PolarHBondContact O-N 3.36Å | ||
| 916 | K | 47.1 | Very low | 66 | Low | 206 Ų | 206 | 109.9 Ų | 109.9 | 90% | 0.896 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -64.9 | 5.8 | 176.1 | -86.8 | -173.2 | 176.6 | -179.4 | 0 | 114 | R914 | R914-K916 PolarHBondContact O-N 3.36Å; R914-K916 VanDerWaalsContact O-N 3.12Å |
| 917 | H | 39.3 | Very low | 64.4 | Low | 151 Ų | 151 | 108.9 Ų | 108.9 | 70% | 0.699 | 54% | 0.544 | S | S | * | . | trans | -101.3 | 135.9 | 176.8 | -71.4 | -73.2 | 0 | 0 | 0 | 109.6 | T915 | T915-H917 PolarHBondContact O-N 3.36Š| ||
| 918 | H | 36.3 | Very low | 62.5 | Low | 175 Ų | 175 | 116.4 Ų | 116.4 | 81% | 0.81 | 58% | 0.581 | S | S | * | * | trans | 94.7 | 49.1 | -175.4 | -41.4 | -53.2 | 0 | 0 | 0 | 115.9 | ||||
| 919 | L | 34.5 | Very low | 60.3 | Low | 165 Ų | 165 | 126.1 Ų | 126.1 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | -79.7 | 122.7 | 128.9 | -85.6 | 154.4 | 0 | 0 | 0 | 105.7 | |||||
| 920 | P | 40.5 | Very low | 57.9 | Low | 183 Ų | 183 | 134.3 Ų | 134.3 | 100% | 1.188 | 67% | 0.671 | S | S | * | * | trans | -64.4 | 0 | 168.8 | 29.5 | -32.2 | 0 | 0 | 0 | 111.1 |
Retrieved 920 of 920 residues in 548.9 ms
(Link to these results)